Found 73 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Coagulation factor XII
(Homo sapiens (Human)) | BDBM50229873
(CHEMBL4088217)Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](Cc3ccc(F)cc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N3CCC[C@H]3C(=O)N2)C(=O)CCSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r| Show InChI InChI=1S/C82H137FN32O18S3/c1-44(2)35-54-70(125)101-51(14-8-29-99-81(92)93)68(123)110-58(73(128)105-53(77(132)133)15-9-30-100-82(94)95)39-135-33-24-63(118)113-41-112-42-114(43-113)64(119)25-34-136-40-59(72(127)103-49(12-6-27-97-79(88)89)66(121)104-52(69(124)106-54)21-22-61(85)116)111-75(130)60-16-10-31-115(60)76(131)56(36-45(3)4)108-67(122)50(13-7-28-98-80(90)91)102-71(126)55(37-46-17-19-47(83)20-18-46)107-74(129)57(38-134-32-23-62(112)117)109-65(120)48(84)11-5-26-96-78(86)87/h17-20,44-45,48-60H,5-16,21-43,84H2,1-4H3,(H2,85,116)(H,101,125)(H,102,126)(H,103,127)(H,104,121)(H,105,128)(H,106,124)(H,107,129)(H,108,122)(H,109,120)(H,110,123)(H,111,130)(H,132,133)(H4,86,87,96)(H4,88,89,97)(H4,90,91,98)(H4,92,93,99)(H4,94,95,100)/t48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.840 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ecole Polytechnique F�d�rale de Lausanne (EPFL)
Curated by ChEMBL
| Assay Description
Inhibition of human beta factor 12a using fluorogenic substrate Boc-Gln-Gly-Arg-AMC preincubated for 10 mins followed by addition of substrate measur... |
J Med Chem 60: 1151-1158 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01548
BindingDB Entry DOI: 10.7270/Q26D5W8V |
More data for this
Ligand-Target Pair | |
Coagulation factor XII
(Homo sapiens (Human)) | BDBM50229867
(CHEMBL4098389)Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](Cc3ccc(F)cc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N3CCC[C@H]3C(=O)N2)C(=O)CCSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O |r| Show InChI InChI=1S/C93H147FN34O19S3/c1-50(2)39-63-81(139)113-61(19-11-34-111-93(105)106)79(137)123-68(83(141)116-60(18-10-33-110-92(103)104)78(136)121-66(88(146)147)42-53-43-112-57-15-6-5-13-55(53)57)45-149-37-28-73(131)126-47-125-48-127(49-126)74(132)29-38-150-46-69(84(142)115-58(16-8-31-108-90(99)100)76(134)117-62(80(138)118-63)25-26-71(96)129)124-86(144)70-20-12-35-128(70)87(145)65(40-51(3)4)120-77(135)59(17-9-32-109-91(101)102)114-82(140)64(41-52-21-23-54(94)24-22-52)119-85(143)67(44-148-36-27-72(125)130)122-75(133)56(95)14-7-30-107-89(97)98/h5-6,13,15,21-24,43,50-51,56,58-70,112H,7-12,14,16-20,25-42,44-49,95H2,1-4H3,(H2,96,129)(H,113,139)(H,114,140)(H,115,142)(H,116,141)(H,117,134)(H,118,138)(H,119,143)(H,120,135)(H,121,136)(H,122,133)(H,123,137)(H,124,144)(H,146,147)(H4,97,98,107)(H4,99,100,108)(H4,101,102,109)(H4,103,104,110)(H4,105,106,111)/t56-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.890 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ecole Polytechnique F�d�rale de Lausanne (EPFL)
Curated by ChEMBL
| Assay Description
Inhibition of human beta factor 12a using fluorogenic substrate Boc-Gln-Gly-Arg-AMC preincubated for 10 mins followed by addition of substrate measur... |
J Med Chem 60: 1151-1158 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01548
BindingDB Entry DOI: 10.7270/Q26D5W8V |
More data for this
Ligand-Target Pair | |
Coagulation factor XII
(Homo sapiens (Human)) | BDBM50229738
(CHEMBL4087027)Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(=O)[C@@H](N)CCNC(N)=N)C(=O)N[C@@H](Cc3ccc(F)cc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N3CCC[C@H]3C(=O)N2)C(=O)CCSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r| Show InChI InChI=1S/C81H135FN32O18S3/c1-43(2)34-53-69(124)100-50(12-7-27-97-79(89)90)67(122)109-57(72(127)104-52(76(131)132)13-8-28-98-80(91)92)38-134-32-23-62(117)112-40-111-41-113(42-112)63(118)24-33-135-39-58(71(126)102-48(10-5-25-95-77(85)86)65(120)103-51(68(123)105-53)19-20-60(84)115)110-74(129)59-14-9-30-114(59)75(130)55(35-44(3)4)107-66(121)49(11-6-26-96-78(87)88)101-70(125)54(36-45-15-17-46(82)18-16-45)106-73(128)56(37-133-31-22-61(111)116)108-64(119)47(83)21-29-99-81(93)94/h15-18,43-44,47-59H,5-14,19-42,83H2,1-4H3,(H2,84,115)(H,100,124)(H,101,125)(H,102,126)(H,103,120)(H,104,127)(H,105,123)(H,106,128)(H,107,121)(H,108,119)(H,109,122)(H,110,129)(H,131,132)(H4,85,86,95)(H4,87,88,96)(H4,89,90,97)(H4,91,92,98)(H4,93,94,99)/t47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ecole Polytechnique F�d�rale de Lausanne (EPFL)
Curated by ChEMBL
| Assay Description
Inhibition of human beta factor 12a using fluorogenic substrate Boc-Gln-Gly-Arg-AMC preincubated for 10 mins followed by addition of substrate measur... |
J Med Chem 60: 1151-1158 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01548
BindingDB Entry DOI: 10.7270/Q26D5W8V |
More data for this
Ligand-Target Pair | |
Coagulation factor XII
(Homo sapiens (Human)) | BDBM50229872
(CHEMBL4059973)Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](Cc3ccc(cc3)[N+]([O-])=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N3CCC[C@H]3C(=O)N2)C(=O)CCSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O |r| Show InChI InChI=1S/C93H147N35O21S3/c1-50(2)39-63-81(139)112-61(19-11-34-110-93(104)105)79(137)122-68(83(141)115-60(18-10-33-109-92(102)103)78(136)120-66(88(146)147)42-53-43-111-57-15-6-5-13-55(53)57)45-151-37-28-73(131)125-47-124-48-126(49-125)74(132)29-38-152-46-69(84(142)114-58(16-8-31-107-90(98)99)76(134)116-62(80(138)117-63)25-26-71(95)129)123-86(144)70-20-12-35-127(70)87(145)65(40-51(3)4)119-77(135)59(17-9-32-108-91(100)101)113-82(140)64(41-52-21-23-54(24-22-52)128(148)149)118-85(143)67(44-150-36-27-72(124)130)121-75(133)56(94)14-7-30-106-89(96)97/h5-6,13,15,21-24,43,50-51,56,58-70,111H,7-12,14,16-20,25-42,44-49,94H2,1-4H3,(H2,95,129)(H,112,139)(H,113,140)(H,114,142)(H,115,141)(H,116,134)(H,117,138)(H,118,143)(H,119,135)(H,120,136)(H,121,133)(H,122,137)(H,123,144)(H,146,147)(H4,96,97,106)(H4,98,99,107)(H4,100,101,108)(H4,102,103,109)(H4,104,105,110)/t56-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ecole Polytechnique F�d�rale de Lausanne (EPFL)
Curated by ChEMBL
| Assay Description
Inhibition of human beta factor 12a using fluorogenic substrate Boc-Gln-Gly-Arg-AMC preincubated for 10 mins followed by addition of substrate measur... |
J Med Chem 60: 1151-1158 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01548
BindingDB Entry DOI: 10.7270/Q26D5W8V |
More data for this
Ligand-Target Pair | |
Coagulation factor XII
(Homo sapiens (Human)) | BDBM50229758
(CHEMBL4102962)Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](Cc3cccnc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N3CCC[C@H]3C(=O)N2)C(=O)CCSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O |r| Show InChI InChI=1S/C92H147N35O19S3/c1-50(2)38-62-80(138)112-60(21-12-33-110-92(103)104)78(136)122-67(82(140)115-59(20-11-32-109-91(101)102)77(135)120-65(87(145)146)41-53-43-111-56-17-6-5-15-54(53)56)45-148-36-26-72(130)125-47-124-48-126(49-125)73(131)27-37-149-46-68(83(141)114-57(18-9-30-107-89(97)98)75(133)116-61(79(137)117-62)23-24-70(94)128)123-85(143)69-22-13-34-127(69)86(144)64(39-51(3)4)119-76(134)58(19-10-31-108-90(99)100)113-81(139)63(40-52-14-7-28-105-42-52)118-84(142)66(44-147-35-25-71(124)129)121-74(132)55(93)16-8-29-106-88(95)96/h5-7,14-15,17,28,42-43,50-51,55,57-69,111H,8-13,16,18-27,29-41,44-49,93H2,1-4H3,(H2,94,128)(H,112,138)(H,113,139)(H,114,141)(H,115,140)(H,116,133)(H,117,137)(H,118,142)(H,119,134)(H,120,135)(H,121,132)(H,122,136)(H,123,143)(H,145,146)(H4,95,96,106)(H4,97,98,107)(H4,99,100,108)(H4,101,102,109)(H4,103,104,110)/t55-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ecole Polytechnique F�d�rale de Lausanne (EPFL)
Curated by ChEMBL
| Assay Description
Inhibition of human beta factor 12a using fluorogenic substrate Boc-Gln-Gly-Arg-AMC preincubated for 10 mins followed by addition of substrate measur... |
J Med Chem 60: 1151-1158 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01548
BindingDB Entry DOI: 10.7270/Q26D5W8V |
More data for this
Ligand-Target Pair | |
Coagulation factor XII
(Homo sapiens (Human)) | BDBM50229997
(CHEMBL4065450)Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](Cc3cccc(C)c3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N3CCC[C@H]3C(=O)N2)C(=O)CCSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O |r| Show InChI InChI=1S/C94H150N34O19S3/c1-51(2)39-64-82(139)113-62(23-13-34-111-94(105)106)80(137)123-69(84(141)116-61(22-12-33-110-93(103)104)79(136)121-67(89(146)147)43-55-44-112-58-19-7-6-17-56(55)58)46-149-37-28-74(131)126-48-125-49-127(50-126)75(132)29-38-150-47-70(85(142)115-59(20-10-31-108-91(99)100)77(134)117-63(81(138)118-64)25-26-72(96)129)124-87(144)71-24-14-35-128(71)88(145)66(40-52(3)4)120-78(135)60(21-11-32-109-92(101)102)114-83(140)65(42-54-16-8-15-53(5)41-54)119-86(143)68(45-148-36-27-73(125)130)122-76(133)57(95)18-9-30-107-90(97)98/h6-8,15-17,19,41,44,51-52,57,59-71,112H,9-14,18,20-40,42-43,45-50,95H2,1-5H3,(H2,96,129)(H,113,139)(H,114,140)(H,115,142)(H,116,141)(H,117,134)(H,118,138)(H,119,143)(H,120,135)(H,121,136)(H,122,133)(H,123,137)(H,124,144)(H,146,147)(H4,97,98,107)(H4,99,100,108)(H4,101,102,109)(H4,103,104,110)(H4,105,106,111)/t57-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 3.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ecole Polytechnique F�d�rale de Lausanne (EPFL)
Curated by ChEMBL
| Assay Description
Inhibition of human beta factor 12a using fluorogenic substrate Boc-Gln-Gly-Arg-AMC preincubated for 10 mins followed by addition of substrate measur... |
J Med Chem 60: 1151-1158 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01548
BindingDB Entry DOI: 10.7270/Q26D5W8V |
More data for this
Ligand-Target Pair | |
Coagulation factor XII
(Homo sapiens (Human)) | BDBM50229866
(CHEMBL4069650)Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](Cc3cccc(F)c3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N3CCC[C@H]3C(=O)N2)C(=O)CCSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O |r| Show InChI InChI=1S/C93H147FN34O19S3/c1-50(2)38-63-81(139)113-61(22-12-33-111-93(105)106)79(137)123-68(83(141)116-60(21-11-32-110-92(103)104)78(136)121-66(88(146)147)42-53-43-112-57-18-6-5-16-55(53)57)45-149-36-27-73(131)126-47-125-48-127(49-126)74(132)28-37-150-46-69(84(142)115-58(19-9-30-108-90(99)100)76(134)117-62(80(138)118-63)24-25-71(96)129)124-86(144)70-23-13-34-128(70)87(145)65(39-51(3)4)120-77(135)59(20-10-31-109-91(101)102)114-82(140)64(41-52-14-7-15-54(94)40-52)119-85(143)67(44-148-35-26-72(125)130)122-75(133)56(95)17-8-29-107-89(97)98/h5-7,14-16,18,40,43,50-51,56,58-70,112H,8-13,17,19-39,41-42,44-49,95H2,1-4H3,(H2,96,129)(H,113,139)(H,114,140)(H,115,142)(H,116,141)(H,117,134)(H,118,138)(H,119,143)(H,120,135)(H,121,136)(H,122,133)(H,123,137)(H,124,144)(H,146,147)(H4,97,98,107)(H4,99,100,108)(H4,101,102,109)(H4,103,104,110)(H4,105,106,111)/t56-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ecole Polytechnique F�d�rale de Lausanne (EPFL)
Curated by ChEMBL
| Assay Description
Inhibition of human beta factor 12a using fluorogenic substrate Boc-Gln-Gly-Arg-AMC preincubated for 10 mins followed by addition of substrate measur... |
J Med Chem 60: 1151-1158 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01548
BindingDB Entry DOI: 10.7270/Q26D5W8V |
More data for this
Ligand-Target Pair | |
Coagulation factor XII
(Homo sapiens (Human)) | BDBM50229743
(CHEMBL4071691)Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](Cc3ccc4ccccc4c3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N3CCC[C@H]3C(=O)N2)C(=O)CCSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O |r| Show InChI InChI=1S/C97H150N34O19S3/c1-53(2)41-67-85(142)116-65(23-13-36-114-97(108)109)83(140)126-72(87(144)119-64(22-12-35-113-96(106)107)82(139)124-70(92(149)150)45-58-46-115-61-19-8-7-17-59(58)61)48-152-39-30-77(134)129-50-128-51-130(52-129)78(135)31-40-153-49-73(88(145)118-62(20-10-33-111-94(102)103)80(137)120-66(84(141)121-67)27-28-75(99)132)127-90(147)74-24-14-37-131(74)91(148)69(42-54(3)4)123-81(138)63(21-11-34-112-95(104)105)117-86(143)68(44-55-25-26-56-15-5-6-16-57(56)43-55)122-89(146)71(47-151-38-29-76(128)133)125-79(136)60(98)18-9-32-110-93(100)101/h5-8,15-17,19,25-26,43,46,53-54,60,62-74,115H,9-14,18,20-24,27-42,44-45,47-52,98H2,1-4H3,(H2,99,132)(H,116,142)(H,117,143)(H,118,145)(H,119,144)(H,120,137)(H,121,141)(H,122,146)(H,123,138)(H,124,139)(H,125,136)(H,126,140)(H,127,147)(H,149,150)(H4,100,101,110)(H4,102,103,111)(H4,104,105,112)(H4,106,107,113)(H4,108,109,114)/t60-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
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PC sid
UniChem
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PubMed
| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ecole Polytechnique F�d�rale de Lausanne (EPFL)
Curated by ChEMBL
| Assay Description
Inhibition of human beta factor 12a using fluorogenic substrate Boc-Gln-Gly-Arg-AMC preincubated for 10 mins followed by addition of substrate measur... |
J Med Chem 60: 1151-1158 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01548
BindingDB Entry DOI: 10.7270/Q26D5W8V |
More data for this
Ligand-Target Pair | |
Coagulation factor XII
(Homo sapiens (Human)) | BDBM50229735
(CHEMBL4102477)Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(=O)[C@H](N)CCCCCN)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N3CCC[C@H]3C(=O)N2)C(=O)CCSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r| Show InChI InChI=1S/C83H140N30O18S3/c1-47(2)38-56-72(123)99-53(21-13-32-97-82(91)92)70(121)108-60(75(126)103-55(79(130)131)22-14-33-98-83(93)94)42-133-36-27-65(116)111-44-110-45-112(46-111)66(117)28-37-134-43-61(74(125)101-51(19-11-30-95-80(87)88)68(119)102-54(71(122)104-56)24-25-63(86)114)109-77(128)62-23-15-34-113(62)78(129)58(39-48(3)4)106-69(120)52(20-12-31-96-81(89)90)100-73(124)57(40-49-16-7-5-8-17-49)105-76(127)59(41-132-35-26-64(110)115)107-67(118)50(85)18-9-6-10-29-84/h5,7-8,16-17,47-48,50-62H,6,9-15,18-46,84-85H2,1-4H3,(H2,86,114)(H,99,123)(H,100,124)(H,101,125)(H,102,119)(H,103,126)(H,104,122)(H,105,127)(H,106,120)(H,107,118)(H,108,121)(H,109,128)(H,130,131)(H4,87,88,95)(H4,89,90,96)(H4,91,92,97)(H4,93,94,98)/t50-,51+,52+,53+,54+,55+,56+,57+,58+,59+,60+,61+,62+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ecole Polytechnique F�d�rale de Lausanne (EPFL)
Curated by ChEMBL
| Assay Description
Inhibition of human beta factor 12a using fluorogenic substrate Boc-Gln-Gly-Arg-AMC preincubated for 10 mins followed by addition of substrate measur... |
J Med Chem 60: 1151-1158 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01548
BindingDB Entry DOI: 10.7270/Q26D5W8V |
More data for this
Ligand-Target Pair | |
Coagulation factor XII
(Homo sapiens (Human)) | BDBM50229744
(CHEMBL4104497)Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](Cc3csc4ccccc34)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N3CCC[C@H]3C(=O)N2)C(=O)CCSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O |r| Show InChI InChI=1S/C95H148N34O19S4/c1-51(2)39-64-83(140)114-62(22-13-34-112-95(106)107)81(138)124-69(85(142)117-61(21-12-33-111-94(104)105)80(137)122-67(90(147)148)41-53-43-113-58-18-7-5-15-55(53)58)46-150-37-28-75(132)127-48-126-49-128(50-127)76(133)29-38-151-47-70(86(143)116-59(19-10-31-109-92(100)101)78(135)118-63(82(139)119-64)25-26-73(97)130)125-88(145)71-23-14-35-129(71)89(146)66(40-52(3)4)121-79(136)60(20-11-32-110-93(102)103)115-84(141)65(42-54-44-152-72-24-8-6-16-56(54)72)120-87(144)68(45-149-36-27-74(126)131)123-77(134)57(96)17-9-30-108-91(98)99/h5-8,15-16,18,24,43-44,51-52,57,59-71,113H,9-14,17,19-23,25-42,45-50,96H2,1-4H3,(H2,97,130)(H,114,140)(H,115,141)(H,116,143)(H,117,142)(H,118,135)(H,119,139)(H,120,144)(H,121,136)(H,122,137)(H,123,134)(H,124,138)(H,125,145)(H,147,148)(H4,98,99,108)(H4,100,101,109)(H4,102,103,110)(H4,104,105,111)(H4,106,107,112)/t57-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ecole Polytechnique F�d�rale de Lausanne (EPFL)
Curated by ChEMBL
| Assay Description
Inhibition of human beta factor 12a using fluorogenic substrate Boc-Gln-Gly-Arg-AMC preincubated for 10 mins followed by addition of substrate measur... |
J Med Chem 60: 1151-1158 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01548
BindingDB Entry DOI: 10.7270/Q26D5W8V |
More data for this
Ligand-Target Pair | |
Coagulation factor XII
(Homo sapiens (Human)) | BDBM50229736
(CHEMBL4074219)Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(=O)[C@H](N)CCCCNC(N)=N)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N3CCC[C@H]3C(=O)N2)C(=O)CCSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r| Show InChI InChI=1S/C83H140N32O18S3/c1-46(2)37-55-71(125)101-52(20-12-31-99-82(92)93)69(123)110-59(74(128)105-54(78(132)133)21-13-32-100-83(94)95)41-135-35-26-64(118)113-43-112-44-114(45-113)65(119)27-36-136-42-60(73(127)103-50(18-10-29-97-80(88)89)67(121)104-53(70(124)106-55)23-24-62(85)116)111-76(130)61-22-14-33-115(61)77(131)57(38-47(3)4)108-68(122)51(19-11-30-98-81(90)91)102-72(126)56(39-48-15-6-5-7-16-48)107-75(129)58(40-134-34-25-63(112)117)109-66(120)49(84)17-8-9-28-96-79(86)87/h5-7,15-16,46-47,49-61H,8-14,17-45,84H2,1-4H3,(H2,85,116)(H,101,125)(H,102,126)(H,103,127)(H,104,121)(H,105,128)(H,106,124)(H,107,129)(H,108,122)(H,109,120)(H,110,123)(H,111,130)(H,132,133)(H4,86,87,96)(H4,88,89,97)(H4,90,91,98)(H4,92,93,99)(H4,94,95,100)/t49-,50+,51+,52+,53+,54+,55+,56+,57+,58+,59+,60+,61+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 8.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ecole Polytechnique F�d�rale de Lausanne (EPFL)
Curated by ChEMBL
| Assay Description
Inhibition of human beta factor 12a using fluorogenic substrate Boc-Gln-Gly-Arg-AMC preincubated for 10 mins followed by addition of substrate measur... |
J Med Chem 60: 1151-1158 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01548
BindingDB Entry DOI: 10.7270/Q26D5W8V |
More data for this
Ligand-Target Pair | |
Coagulation factor XII
(Homo sapiens (Human)) | BDBM50229734
(CHEMBL4064568)Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N3CCC[C@H]3C(=O)N2)C(=O)CCSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r| Show InChI InChI=1S/C82H138N30O18S3/c1-46(2)37-55-71(122)98-52(20-12-31-96-81(90)91)69(120)107-59(74(125)102-54(78(129)130)21-13-32-97-82(92)93)41-132-35-26-64(115)110-43-109-44-111(45-110)65(116)27-36-133-42-60(73(124)100-50(18-10-29-94-79(86)87)67(118)101-53(70(121)103-55)23-24-62(85)113)108-76(127)61-22-14-33-112(61)77(128)57(38-47(3)4)105-68(119)51(19-11-30-95-80(88)89)99-72(123)56(39-48-15-6-5-7-16-48)104-75(126)58(40-131-34-25-63(109)114)106-66(117)49(84)17-8-9-28-83/h5-7,15-16,46-47,49-61H,8-14,17-45,83-84H2,1-4H3,(H2,85,113)(H,98,122)(H,99,123)(H,100,124)(H,101,118)(H,102,125)(H,103,121)(H,104,126)(H,105,119)(H,106,117)(H,107,120)(H,108,127)(H,129,130)(H4,86,87,94)(H4,88,89,95)(H4,90,91,96)(H4,92,93,97)/t49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ecole Polytechnique F�d�rale de Lausanne (EPFL)
Curated by ChEMBL
| Assay Description
Inhibition of human beta factor 12a using fluorogenic substrate Boc-Gln-Gly-Arg-AMC preincubated for 10 mins followed by addition of substrate measur... |
J Med Chem 60: 1151-1158 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01548
BindingDB Entry DOI: 10.7270/Q26D5W8V |
More data for this
Ligand-Target Pair | |
Coagulation factor XII
(Homo sapiens (Human)) | BDBM50229987
(CHEMBL4095948)Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N3CCC[C@H]3C(=O)N2)C(=O)CCSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(O)=O |r| Show InChI InChI=1S/C76H126N28O17S3/c1-42(2)33-50-66(114)91-48(18-11-28-90-76(85)86)64(112)100-55(72(120)121)38-124-32-24-60(108)103-40-101-39-102(41-103)59(107)23-31-123-37-54(68(116)93-46(16-9-26-88-74(81)82)62(110)94-49(65(113)95-50)20-21-57(78)105)99-70(118)56-19-12-29-104(56)71(119)52(34-43(3)4)97-63(111)47(17-10-27-89-75(83)84)92-67(115)51(35-44-13-6-5-7-14-44)96-69(117)53(36-122-30-22-58(101)106)98-61(109)45(77)15-8-25-87-73(79)80/h5-7,13-14,42-43,45-56H,8-12,15-41,77H2,1-4H3,(H2,78,105)(H,91,114)(H,92,115)(H,93,116)(H,94,110)(H,95,113)(H,96,117)(H,97,111)(H,98,109)(H,99,118)(H,100,112)(H,120,121)(H4,79,80,87)(H4,81,82,88)(H4,83,84,89)(H4,85,86,90)/t45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 9.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ecole Polytechnique F�d�rale de Lausanne (EPFL)
Curated by ChEMBL
| Assay Description
Inhibition of human beta factor 12a using fluorogenic substrate Boc-Gln-Gly-Arg-AMC preincubated for 10 mins followed by addition of substrate measur... |
J Med Chem 60: 1151-1158 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01548
BindingDB Entry DOI: 10.7270/Q26D5W8V |
More data for this
Ligand-Target Pair | |
Coagulation factor XII
(Homo sapiens (Human)) | BDBM50229992
(CHEMBL4080261)Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](Cc3cccc4ccccc34)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N3CCC[C@H]3C(=O)N2)C(=O)CCSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O |r| Show InChI InChI=1S/C97H150N34O19S3/c1-53(2)42-67-85(142)116-65(26-14-37-114-97(108)109)83(140)126-72(87(144)119-64(25-13-36-113-96(106)107)82(139)124-70(92(149)150)45-57-46-115-61-22-8-7-20-59(57)61)48-152-40-31-77(134)129-50-128-51-130(52-129)78(135)32-41-153-49-73(88(145)118-62(23-11-34-111-94(102)103)80(137)120-66(84(141)121-67)28-29-75(99)132)127-90(147)74-27-15-38-131(74)91(148)69(43-54(3)4)123-81(138)63(24-12-35-112-95(104)105)117-86(143)68(44-56-18-9-17-55-16-5-6-19-58(55)56)122-89(146)71(47-151-39-30-76(128)133)125-79(136)60(98)21-10-33-110-93(100)101/h5-9,16-20,22,46,53-54,60,62-74,115H,10-15,21,23-45,47-52,98H2,1-4H3,(H2,99,132)(H,116,142)(H,117,143)(H,118,145)(H,119,144)(H,120,137)(H,121,141)(H,122,146)(H,123,138)(H,124,139)(H,125,136)(H,126,140)(H,127,147)(H,149,150)(H4,100,101,110)(H4,102,103,111)(H4,104,105,112)(H4,106,107,113)(H4,108,109,114)/t60-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ecole Polytechnique F�d�rale de Lausanne (EPFL)
Curated by ChEMBL
| Assay Description
Inhibition of human beta factor 12a using fluorogenic substrate Boc-Gln-Gly-Arg-AMC preincubated for 10 mins followed by addition of substrate measur... |
J Med Chem 60: 1151-1158 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01548
BindingDB Entry DOI: 10.7270/Q26D5W8V |
More data for this
Ligand-Target Pair | |
Coagulation factor XII
(Homo sapiens (Human)) | BDBM50229996
(CHEMBL4066341)Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N3CCC[C@H]3C(=O)N2)C(=O)CCSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O |r| Show InChI InChI=1S/C93H148N34O19S3/c1-51(2)40-63-81(138)112-61(24-14-35-110-93(104)105)79(136)122-68(83(140)115-60(23-13-34-109-92(102)103)78(135)120-66(88(145)146)43-54-44-111-57-20-9-8-18-55(54)57)46-148-38-29-73(130)125-48-124-49-126(50-125)74(131)30-39-149-47-69(84(141)114-58(21-11-32-107-90(98)99)76(133)116-62(80(137)117-63)26-27-71(95)128)123-86(143)70-25-15-36-127(70)87(144)65(41-52(3)4)119-77(134)59(22-12-33-108-91(100)101)113-82(139)64(42-53-16-6-5-7-17-53)118-85(142)67(45-147-37-28-72(124)129)121-75(132)56(94)19-10-31-106-89(96)97/h5-9,16-18,20,44,51-52,56,58-70,111H,10-15,19,21-43,45-50,94H2,1-4H3,(H2,95,128)(H,112,138)(H,113,139)(H,114,141)(H,115,140)(H,116,133)(H,117,137)(H,118,142)(H,119,134)(H,120,135)(H,121,132)(H,122,136)(H,123,143)(H,145,146)(H4,96,97,106)(H4,98,99,107)(H4,100,101,108)(H4,102,103,109)(H4,104,105,110)/t56-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ecole Polytechnique F�d�rale de Lausanne (EPFL)
Curated by ChEMBL
| Assay Description
Inhibition of human beta factor 12a using fluorogenic substrate Boc-Gln-Gly-Arg-AMC preincubated for 10 mins followed by addition of substrate measur... |
J Med Chem 60: 1151-1158 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01548
BindingDB Entry DOI: 10.7270/Q26D5W8V |
More data for this
Ligand-Target Pair | |
Coagulation factor XII
(Homo sapiens (Human)) | BDBM50229874
(CHEMBL4074453)Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N3CCC[C@H]3C(=O)N2)C(=O)CCSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O |r| Show InChI InChI=1S/C95H149N35O19S3/c1-51(2)39-65-83(141)115-63(23-13-34-112-95(106)107)81(139)125-70(85(143)118-62(22-12-33-111-94(104)105)80(138)123-68(90(148)149)42-54-44-114-59-19-8-6-16-56(54)59)46-151-37-28-75(133)128-48-127-49-129(50-128)76(134)29-38-152-47-71(86(144)117-60(20-10-31-109-92(100)101)78(136)119-64(82(140)120-65)25-26-73(97)131)126-88(146)72-24-14-35-130(72)89(147)67(40-52(3)4)122-79(137)61(21-11-32-110-93(102)103)116-84(142)66(41-53-43-113-58-18-7-5-15-55(53)58)121-87(145)69(45-150-36-27-74(127)132)124-77(135)57(96)17-9-30-108-91(98)99/h5-8,15-16,18-19,43-44,51-52,57,60-72,113-114H,9-14,17,20-42,45-50,96H2,1-4H3,(H2,97,131)(H,115,141)(H,116,142)(H,117,144)(H,118,143)(H,119,136)(H,120,140)(H,121,145)(H,122,137)(H,123,138)(H,124,135)(H,125,139)(H,126,146)(H,148,149)(H4,98,99,108)(H4,100,101,109)(H4,102,103,110)(H4,104,105,111)(H4,106,107,112)/t57-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ecole Polytechnique F�d�rale de Lausanne (EPFL)
Curated by ChEMBL
| Assay Description
Inhibition of human beta factor 12a using fluorogenic substrate Boc-Gln-Gly-Arg-AMC preincubated for 10 mins followed by addition of substrate measur... |
J Med Chem 60: 1151-1158 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01548
BindingDB Entry DOI: 10.7270/Q26D5W8V |
More data for this
Ligand-Target Pair | |
Coagulation factor XII
(Homo sapiens (Human)) | BDBM50229980
(CHEMBL4101024)Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N2)C(=O)CCSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O |r| Show InChI InChI=1S/C94H152N34O19S3/c1-51(2)39-64-82(139)113-62(25-16-35-111-94(105)106)80(137)124-70(86(143)116-61(24-15-34-110-93(103)104)79(136)122-68(89(146)147)43-55-44-112-58-21-11-10-19-56(55)58)46-149-37-29-74(131)127-48-126-49-128(50-127)75(132)30-38-150-47-71(87(144)115-59(22-13-32-108-91(99)100)77(134)117-63(81(138)119-64)26-27-72(96)129)125-84(141)66(41-53(5)6)120-83(140)65(40-52(3)4)118-78(135)60(23-14-33-109-92(101)102)114-85(142)67(42-54-17-8-7-9-18-54)121-88(145)69(45-148-36-28-73(126)130)123-76(133)57(95)20-12-31-107-90(97)98/h7-11,17-19,21,44,51-53,57,59-71,112H,12-16,20,22-43,45-50,95H2,1-6H3,(H2,96,129)(H,113,139)(H,114,142)(H,115,144)(H,116,143)(H,117,134)(H,118,135)(H,119,138)(H,120,140)(H,121,145)(H,122,136)(H,123,133)(H,124,137)(H,125,141)(H,146,147)(H4,97,98,107)(H4,99,100,108)(H4,101,102,109)(H4,103,104,110)(H4,105,106,111)/t57-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ecole Polytechnique F�d�rale de Lausanne (EPFL)
Curated by ChEMBL
| Assay Description
Inhibition of human beta factor 12a using fluorogenic substrate Boc-Gln-Gly-Arg-AMC preincubated for 10 mins followed by addition of substrate measur... |
J Med Chem 60: 1151-1158 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01548
BindingDB Entry DOI: 10.7270/Q26D5W8V |
More data for this
Ligand-Target Pair | |
Coagulation factor XII
(Homo sapiens (Human)) | BDBM50230023
(CHEMBL4094726)Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(=O)[C@H](N)CCNC(N)=N)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N3CCC[C@H]3C(=O)N2)C(=O)CCSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r| Show InChI InChI=1S/C81H136N32O18S3/c1-44(2)35-53-69(123)99-50(17-10-28-96-79(88)89)67(121)108-57(72(126)103-52(76(130)131)18-11-29-97-80(90)91)39-133-33-24-62(116)111-41-110-42-112(43-111)63(117)25-34-134-40-58(71(125)101-48(15-8-26-94-77(84)85)65(119)102-51(68(122)104-53)20-21-60(83)114)109-74(128)59-19-12-31-113(59)75(129)55(36-45(3)4)106-66(120)49(16-9-27-95-78(86)87)100-70(124)54(37-46-13-6-5-7-14-46)105-73(127)56(38-132-32-23-61(110)115)107-64(118)47(82)22-30-98-81(92)93/h5-7,13-14,44-45,47-59H,8-12,15-43,82H2,1-4H3,(H2,83,114)(H,99,123)(H,100,124)(H,101,125)(H,102,119)(H,103,126)(H,104,122)(H,105,127)(H,106,120)(H,107,118)(H,108,121)(H,109,128)(H,130,131)(H4,84,85,94)(H4,86,87,95)(H4,88,89,96)(H4,90,91,97)(H4,92,93,98)/t47-,48+,49+,50+,51+,52+,53+,54+,55+,56+,57+,58+,59+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ecole Polytechnique F�d�rale de Lausanne (EPFL)
Curated by ChEMBL
| Assay Description
Inhibition of human beta factor 12a using fluorogenic substrate Boc-Gln-Gly-Arg-AMC preincubated for 10 mins followed by addition of substrate measur... |
J Med Chem 60: 1151-1158 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01548
BindingDB Entry DOI: 10.7270/Q26D5W8V |
More data for this
Ligand-Target Pair | |
Coagulation factor XII
(Homo sapiens (Human)) | BDBM50229737
(CHEMBL4065597)Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(=O)[C@H](N)Cc3ccc(NC(N)=N)cc3)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N3CCC[C@H]3C(=O)N2)C(=O)CCSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r| Show InChI InChI=1S/C86H138N32O18S3/c1-47(2)37-58-74(128)104-55(17-10-31-101-84(93)94)72(126)113-62(77(131)108-57(81(135)136)18-11-32-102-85(95)96)42-138-35-27-67(121)116-44-115-45-117(46-116)68(122)28-36-139-43-63(76(130)106-53(15-8-29-99-82(89)90)70(124)107-56(73(127)109-58)24-25-65(88)119)114-79(133)64-19-12-33-118(64)80(134)60(38-48(3)4)111-71(125)54(16-9-30-100-83(91)92)105-75(129)59(40-49-13-6-5-7-14-49)110-78(132)61(41-137-34-26-66(115)120)112-69(123)52(87)39-50-20-22-51(23-21-50)103-86(97)98/h5-7,13-14,20-23,47-48,52-64H,8-12,15-19,24-46,87H2,1-4H3,(H2,88,119)(H,104,128)(H,105,129)(H,106,130)(H,107,124)(H,108,131)(H,109,127)(H,110,132)(H,111,125)(H,112,123)(H,113,126)(H,114,133)(H,135,136)(H4,89,90,99)(H4,91,92,100)(H4,93,94,101)(H4,95,96,102)(H4,97,98,103)/t52-,53+,54+,55+,56+,57+,58+,59+,60+,61+,62+,63+,64+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ecole Polytechnique F�d�rale de Lausanne (EPFL)
Curated by ChEMBL
| Assay Description
Inhibition of human beta factor 12a using fluorogenic substrate Boc-Gln-Gly-Arg-AMC preincubated for 10 mins followed by addition of substrate measur... |
J Med Chem 60: 1151-1158 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01548
BindingDB Entry DOI: 10.7270/Q26D5W8V |
More data for this
Ligand-Target Pair | |
Coagulation factor XII
(Homo sapiens (Human)) | BDBM50230018
(CHEMBL4084044)Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CSCCC(=O)N2CN3CN(C2)C(=O)CCSC[C@H](NC(=O)[C@@H]2CCCN2C1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CSCCC3=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O)NC(=O)[C@@H](N)CCCNC(N)=N |r| Show InChI InChI=1S/C94H150N34O19S3/c1-52(2)41-64-87(145)128-37-16-26-70(128)86(144)124-69-48-150-40-31-74(132)127-50-125(72(130)29-38-148-46-67(122-75(133)56(95)20-11-32-107-89(97)98)85(143)118-63(42-53-17-7-6-8-18-53)81(139)113-59(77(135)119-64)23-13-34-109-91(101)102)49-126(51-127)73(131)30-39-149-47-68(83(141)116-60(24-14-35-110-92(103)104)78(136)120-65(88(146)147)43-54-45-112-57-21-10-9-19-55(54)57)123-79(137)61(25-15-36-111-93(105)106)114-82(140)66(44-94(3,4)5)121-80(138)62(27-28-71(96)129)117-76(134)58(115-84(69)142)22-12-33-108-90(99)100/h6-10,17-19,21,45,52,56,58-70,112H,11-16,20,22-44,46-51,95H2,1-5H3,(H2,96,129)(H,113,139)(H,114,140)(H,115,142)(H,116,141)(H,117,134)(H,118,143)(H,119,135)(H,120,136)(H,121,138)(H,122,133)(H,123,137)(H,124,144)(H,146,147)(H4,97,98,107)(H4,99,100,108)(H4,101,102,109)(H4,103,104,110)(H4,105,106,111)/t56-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ecole Polytechnique F�d�rale de Lausanne (EPFL)
Curated by ChEMBL
| Assay Description
Inhibition of human beta factor 12a using fluorogenic substrate Boc-Gln-Gly-Arg-AMC preincubated for 10 mins followed by addition of substrate measur... |
J Med Chem 60: 1151-1158 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01548
BindingDB Entry DOI: 10.7270/Q26D5W8V |
More data for this
Ligand-Target Pair | |
Coagulation factor XII
(Homo sapiens (Human)) | BDBM50229976
(CHEMBL4098557)Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CSCCC(=O)N2CN3CN(C2)C(=O)CCSC[C@H](NC(=O)[C@H](C)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CSCCC3=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O)NC(=O)[C@@H](N)CCCNC(N)=N |r| Show InChI InChI=1S/C91H146N34O19S3/c1-49(2)38-62-80(137)110-51(5)73(130)120-66-43-145-35-27-70(127)123-46-124(71(128)28-36-146-44-67(121-74(131)55(92)19-11-30-104-87(94)95)85(142)118-64(40-52-16-7-6-8-17-52)82(139)112-58(76(133)116-62)22-13-32-106-89(98)99)48-125(47-123)72(129)29-37-147-45-68(84(141)114-59(23-14-33-107-90(100)101)77(134)119-65(86(143)144)41-53-42-109-56-20-10-9-18-54(53)56)122-78(135)60(24-15-34-108-91(102)103)111-81(138)63(39-50(3)4)117-79(136)61(25-26-69(93)126)115-75(132)57(113-83(66)140)21-12-31-105-88(96)97/h6-10,16-18,20,42,49-51,55,57-68,109H,11-15,19,21-41,43-48,92H2,1-5H3,(H2,93,126)(H,110,137)(H,111,138)(H,112,139)(H,113,140)(H,114,141)(H,115,132)(H,116,133)(H,117,136)(H,118,142)(H,119,134)(H,120,130)(H,121,131)(H,122,135)(H,143,144)(H4,94,95,104)(H4,96,97,105)(H4,98,99,106)(H4,100,101,107)(H4,102,103,108)/t51-,55-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ecole Polytechnique F�d�rale de Lausanne (EPFL)
Curated by ChEMBL
| Assay Description
Inhibition of human beta factor 12a using fluorogenic substrate Boc-Gln-Gly-Arg-AMC preincubated for 10 mins followed by addition of substrate measur... |
J Med Chem 60: 1151-1158 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01548
BindingDB Entry DOI: 10.7270/Q26D5W8V |
More data for this
Ligand-Target Pair | |
Coagulation factor XII
(Homo sapiens (Human)) | BDBM50229849
(CHEMBL4090666)Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](Cc3ccccc3F)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N3CCC[C@H]3C(=O)N2)C(=O)CCSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O |r| Show InChI InChI=1S/C93H147FN34O19S3/c1-50(2)39-63-81(139)113-61(23-13-34-111-93(105)106)79(137)123-68(83(141)116-60(22-12-33-110-92(103)104)78(136)121-66(88(146)147)42-53-43-112-57-19-8-6-16-54(53)57)45-149-37-28-73(131)126-47-125-48-127(49-126)74(132)29-38-150-46-69(84(142)115-58(20-10-31-108-90(99)100)76(134)117-62(80(138)118-63)25-26-71(96)129)124-86(144)70-24-14-35-128(70)87(145)65(40-51(3)4)120-77(135)59(21-11-32-109-91(101)102)114-82(140)64(41-52-15-5-7-17-55(52)94)119-85(143)67(44-148-36-27-72(125)130)122-75(133)56(95)18-9-30-107-89(97)98/h5-8,15-17,19,43,50-51,56,58-70,112H,9-14,18,20-42,44-49,95H2,1-4H3,(H2,96,129)(H,113,139)(H,114,140)(H,115,142)(H,116,141)(H,117,134)(H,118,138)(H,119,143)(H,120,135)(H,121,136)(H,122,133)(H,123,137)(H,124,144)(H,146,147)(H4,97,98,107)(H4,99,100,108)(H4,101,102,109)(H4,103,104,110)(H4,105,106,111)/t56-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 27 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ecole Polytechnique F�d�rale de Lausanne (EPFL)
Curated by ChEMBL
| Assay Description
Inhibition of human beta factor 12a using fluorogenic substrate Boc-Gln-Gly-Arg-AMC preincubated for 10 mins followed by addition of substrate measur... |
J Med Chem 60: 1151-1158 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01548
BindingDB Entry DOI: 10.7270/Q26D5W8V |
More data for this
Ligand-Target Pair | |
Coagulation factor XII
(Homo sapiens (Human)) | BDBM50229994
(CHEMBL4095870)Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N3CCC[C@H]3C(=O)N2)C(=O)CCSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O |r| Show InChI InChI=1S/C90H150N34O19S3/c1-48(2)37-60-78(135)110-58(21-13-32-107-90(101)102)76(133)119-65(80(137)112-57(20-12-31-106-89(99)100)75(132)117-63(85(142)143)40-51-41-108-54-17-8-7-15-52(51)54)43-145-35-26-70(127)122-45-121-46-123(47-122)71(128)27-36-146-44-66(81(138)111-55(18-10-29-104-87(95)96)73(130)113-59(77(134)114-60)23-24-68(92)125)120-83(140)67-22-14-33-124(67)84(141)62(39-50(5)6)116-74(131)56(19-11-30-105-88(97)98)109-79(136)61(38-49(3)4)115-82(139)64(42-144-34-25-69(121)126)118-72(129)53(91)16-9-28-103-86(93)94/h7-8,15,17,41,48-50,53,55-67,108H,9-14,16,18-40,42-47,91H2,1-6H3,(H2,92,125)(H,109,136)(H,110,135)(H,111,138)(H,112,137)(H,113,130)(H,114,134)(H,115,139)(H,116,131)(H,117,132)(H,118,129)(H,119,133)(H,120,140)(H,142,143)(H4,93,94,103)(H4,95,96,104)(H4,97,98,105)(H4,99,100,106)(H4,101,102,107)/t53-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
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PubMed
| 28 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ecole Polytechnique F�d�rale de Lausanne (EPFL)
Curated by ChEMBL
| Assay Description
Inhibition of human beta factor 12a using fluorogenic substrate Boc-Gln-Gly-Arg-AMC preincubated for 10 mins followed by addition of substrate measur... |
J Med Chem 60: 1151-1158 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01548
BindingDB Entry DOI: 10.7270/Q26D5W8V |
More data for this
Ligand-Target Pair | |
Coagulation factor XII
(Homo sapiens (Human)) | BDBM50229753
(CHEMBL4076870)Show SMILES CC(C)CC[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N3CCC[C@H]3C(=O)N2)C(=O)CCSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O |r| Show InChI InChI=1S/C94H150N34O19S3/c1-52(2)26-27-63-81(138)113-62(24-14-37-111-94(105)106)80(137)123-69(84(141)116-61(23-13-36-110-93(103)104)79(136)121-67(89(146)147)44-55-45-112-58-20-9-8-18-56(55)58)47-149-40-31-74(131)126-49-125-50-127(51-126)75(132)32-41-150-48-70(85(142)115-59(21-11-34-108-91(99)100)77(134)118-64(82(139)117-63)28-29-72(96)129)124-87(144)71-25-15-38-128(71)88(145)66(42-53(3)4)120-78(135)60(22-12-35-109-92(101)102)114-83(140)65(43-54-16-6-5-7-17-54)119-86(143)68(46-148-39-30-73(125)130)122-76(133)57(95)19-10-33-107-90(97)98/h5-9,16-18,20,45,52-53,57,59-71,112H,10-15,19,21-44,46-51,95H2,1-4H3,(H2,96,129)(H,113,138)(H,114,140)(H,115,142)(H,116,141)(H,117,139)(H,118,134)(H,119,143)(H,120,135)(H,121,136)(H,122,133)(H,123,137)(H,124,144)(H,146,147)(H4,97,98,107)(H4,99,100,108)(H4,101,102,109)(H4,103,104,110)(H4,105,106,111)/t57-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
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| CHEMBL
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Similars
| Article
PubMed
| 29 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ecole Polytechnique F�d�rale de Lausanne (EPFL)
Curated by ChEMBL
| Assay Description
Inhibition of human beta factor 12a using fluorogenic substrate Boc-Gln-Gly-Arg-AMC preincubated for 10 mins followed by addition of substrate measur... |
J Med Chem 60: 1151-1158 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01548
BindingDB Entry DOI: 10.7270/Q26D5W8V |
More data for this
Ligand-Target Pair | |
Coagulation factor XII
(Homo sapiens (Human)) | BDBM50230020
(CHEMBL4062902)Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CSCCC(=O)N2CN3CN(C2)C(=O)CCSC[C@H](NC(=O)[C@H](CO)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CSCCC3=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O)NC(=O)[C@@H](N)CCCNC(N)=N |r| Show InChI InChI=1S/C91H146N34O20S3/c1-49(2)37-61-79(137)110-59(23-14-33-108-91(102)103)77(135)121-67(83(141)113-58(22-13-32-107-90(100)101)76(134)118-64(86(144)145)40-52-41-109-55-19-9-8-17-53(52)55)44-147-35-27-71(129)124-46-123-47-125(48-124)72(130)28-36-148-45-68(84(142)112-56(20-11-30-105-88(96)97)74(132)114-60(78(136)116-61)24-25-69(93)127)122-82(140)65(42-126)119-80(138)62(38-50(3)4)115-75(133)57(21-12-31-106-89(98)99)111-81(139)63(39-51-15-6-5-7-16-51)117-85(143)66(43-146-34-26-70(123)128)120-73(131)54(92)18-10-29-104-87(94)95/h5-9,15-17,19,41,49-50,54,56-68,109,126H,10-14,18,20-40,42-48,92H2,1-4H3,(H2,93,127)(H,110,137)(H,111,139)(H,112,142)(H,113,141)(H,114,132)(H,115,133)(H,116,136)(H,117,143)(H,118,134)(H,119,138)(H,120,131)(H,121,135)(H,122,140)(H,144,145)(H4,94,95,104)(H4,96,97,105)(H4,98,99,106)(H4,100,101,107)(H4,102,103,108)/t54-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
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| Article
PubMed
| 29 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ecole Polytechnique F�d�rale de Lausanne (EPFL)
Curated by ChEMBL
| Assay Description
Inhibition of human beta factor 12a using fluorogenic substrate Boc-Gln-Gly-Arg-AMC preincubated for 10 mins followed by addition of substrate measur... |
J Med Chem 60: 1151-1158 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01548
BindingDB Entry DOI: 10.7270/Q26D5W8V |
More data for this
Ligand-Target Pair | |
Coagulation factor XII
(Homo sapiens (Human)) | BDBM50229754
(CHEMBL4075523)Show SMILES CCCC[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N3CCC[C@H]3C(=O)N2)C(=O)CCSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O |r| Show InChI InChI=1S/C93H148N34O19S3/c1-4-5-21-58-76(133)113-62(26-15-37-110-93(104)105)80(137)122-68(83(140)116-61(25-14-36-109-92(102)103)79(136)120-66(88(145)146)44-54-45-111-57-22-10-9-19-55(54)57)47-148-40-31-73(130)125-49-124-50-126(51-125)74(131)32-41-149-48-69(84(141)115-59(23-12-34-107-90(98)99)77(134)117-63(81(138)112-58)28-29-71(95)128)123-86(143)70-27-16-38-127(70)87(144)65(42-52(2)3)119-78(135)60(24-13-35-108-91(100)101)114-82(139)64(43-53-17-7-6-8-18-53)118-85(142)67(46-147-39-30-72(124)129)121-75(132)56(94)20-11-33-106-89(96)97/h6-10,17-19,22,45,52,56,58-70,111H,4-5,11-16,20-21,23-44,46-51,94H2,1-3H3,(H2,95,128)(H,112,138)(H,113,133)(H,114,139)(H,115,141)(H,116,140)(H,117,134)(H,118,142)(H,119,135)(H,120,136)(H,121,132)(H,122,137)(H,123,143)(H,145,146)(H4,96,97,106)(H4,98,99,107)(H4,100,101,108)(H4,102,103,109)(H4,104,105,110)/t56-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
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| CHEMBL
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UniChem
Similars
| Article
PubMed
| 31 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ecole Polytechnique F�d�rale de Lausanne (EPFL)
Curated by ChEMBL
| Assay Description
Inhibition of human beta factor 12a using fluorogenic substrate Boc-Gln-Gly-Arg-AMC preincubated for 10 mins followed by addition of substrate measur... |
J Med Chem 60: 1151-1158 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01548
BindingDB Entry DOI: 10.7270/Q26D5W8V |
More data for this
Ligand-Target Pair | |
Coagulation factor XII
(Homo sapiens (Human)) | BDBM50229875
(CHEMBL4077847)Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N3CCC[C@H]3C(=O)N2)C(=O)CCSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O |r| Show InChI InChI=1S/C93H148N34O20S3/c1-50(2)39-63-81(139)112-61(19-11-34-110-93(104)105)79(137)122-68(83(141)115-60(18-10-33-109-92(102)103)78(136)120-66(88(146)147)42-53-43-111-57-15-6-5-13-55(53)57)45-149-37-28-73(131)125-47-124-48-126(49-125)74(132)29-38-150-46-69(84(142)114-58(16-8-31-107-90(98)99)76(134)116-62(80(138)117-63)25-26-71(95)129)123-86(144)70-20-12-35-127(70)87(145)65(40-51(3)4)119-77(135)59(17-9-32-108-91(100)101)113-82(140)64(41-52-21-23-54(128)24-22-52)118-85(143)67(44-148-36-27-72(124)130)121-75(133)56(94)14-7-30-106-89(96)97/h5-6,13,15,21-24,43,50-51,56,58-70,111,128H,7-12,14,16-20,25-42,44-49,94H2,1-4H3,(H2,95,129)(H,112,139)(H,113,140)(H,114,142)(H,115,141)(H,116,134)(H,117,138)(H,118,143)(H,119,135)(H,120,136)(H,121,133)(H,122,137)(H,123,144)(H,146,147)(H4,96,97,106)(H4,98,99,107)(H4,100,101,108)(H4,102,103,109)(H4,104,105,110)/t56-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-/m0/s1 | PDB
UniProtKB/SwissProt
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| 32 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ecole Polytechnique F�d�rale de Lausanne (EPFL)
Curated by ChEMBL
| Assay Description
Inhibition of human beta factor 12a using fluorogenic substrate Boc-Gln-Gly-Arg-AMC preincubated for 10 mins followed by addition of substrate measur... |
J Med Chem 60: 1151-1158 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01548
BindingDB Entry DOI: 10.7270/Q26D5W8V |
More data for this
Ligand-Target Pair | |
Coagulation factor XII
(Homo sapiens (Human)) | BDBM50229989
(CHEMBL4084518)Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(=O)[C@H](N)CCCNC(N)=N)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N3CCC[C@H]3C(=O)N2)C(=O)CCSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r| Show InChI InChI=1S/C82H138N32O18S3/c1-45(2)36-54-70(124)100-51(19-11-30-98-81(91)92)68(122)109-58(73(127)104-53(77(131)132)20-12-31-99-82(93)94)40-134-34-25-63(117)112-42-111-43-113(44-112)64(118)26-35-135-41-59(72(126)102-49(17-9-28-96-79(87)88)66(120)103-52(69(123)105-54)22-23-61(84)115)110-75(129)60-21-13-32-114(60)76(130)56(37-46(3)4)107-67(121)50(18-10-29-97-80(89)90)101-71(125)55(38-47-14-6-5-7-15-47)106-74(128)57(39-133-33-24-62(111)116)108-65(119)48(83)16-8-27-95-78(85)86/h5-7,14-15,45-46,48-60H,8-13,16-44,83H2,1-4H3,(H2,84,115)(H,100,124)(H,101,125)(H,102,126)(H,103,120)(H,104,127)(H,105,123)(H,106,128)(H,107,121)(H,108,119)(H,109,122)(H,110,129)(H,131,132)(H4,85,86,95)(H4,87,88,96)(H4,89,90,97)(H4,91,92,98)(H4,93,94,99)/t48-,49+,50+,51+,52+,53+,54+,55+,56+,57+,58+,59+,60+/m1/s1 | PDB
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| Article
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| 34 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ecole Polytechnique F�d�rale de Lausanne (EPFL)
Curated by ChEMBL
| Assay Description
Inhibition of human beta factor 12a using fluorogenic substrate Boc-Gln-Gly-Arg-AMC preincubated for 10 mins followed by addition of substrate measur... |
J Med Chem 60: 1151-1158 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01548
BindingDB Entry DOI: 10.7270/Q26D5W8V |
More data for this
Ligand-Target Pair | |
Coagulation factor XII
(Homo sapiens (Human)) | BDBM50229876
(CHEMBL4085699)Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N3CCC[C@H]3C(=O)N2)C(=O)CCSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O |r| Show InChI InChI=1S/C89H146N34O19S3/c1-48(2)38-59-77(134)108-56(19-10-31-105-88(98)99)75(132)116-62(78(135)110-55(18-9-30-104-87(96)97)74(131)115-61(84(141)142)40-50-41-107-53-16-6-5-14-51(50)53)42-143-35-25-68(125)119-45-120-47-121(46-119)70(127)27-37-145-44-64(118-71(128)52(90)15-7-28-102-85(92)93)83(140)123-34-13-21-65(123)80(137)112-57(20-11-32-106-89(100)101)73(130)114-60(39-49(3)4)82(139)122-33-12-22-66(122)81(138)117-63(43-144-36-26-69(120)126)79(136)109-54(17-8-29-103-86(94)95)72(129)111-58(76(133)113-59)23-24-67(91)124/h5-6,14,16,41,48-49,52,54-66,107H,7-13,15,17-40,42-47,90H2,1-4H3,(H2,91,124)(H,108,134)(H,109,136)(H,110,135)(H,111,129)(H,112,137)(H,113,133)(H,114,130)(H,115,131)(H,116,132)(H,117,138)(H,118,128)(H,141,142)(H4,92,93,102)(H4,94,95,103)(H4,96,97,104)(H4,98,99,105)(H4,100,101,106)/t52-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
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PC cid
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UniChem
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| Article
PubMed
| 37 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ecole Polytechnique F�d�rale de Lausanne (EPFL)
Curated by ChEMBL
| Assay Description
Inhibition of human beta factor 12a using fluorogenic substrate Boc-Gln-Gly-Arg-AMC preincubated for 10 mins followed by addition of substrate measur... |
J Med Chem 60: 1151-1158 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01548
BindingDB Entry DOI: 10.7270/Q26D5W8V |
More data for this
Ligand-Target Pair | |
Coagulation factor XII
(Homo sapiens (Human)) | BDBM50229755
(CHEMBL4061253)Show SMILES CCC(CC)C1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N3CCC[C@H]3C(=O)N2)C(=O)CCSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O |r| Show InChI InChI=1S/C94H150N34O19S3/c1-5-54(6-2)75-87(144)117-62(26-16-37-111-94(105)106)80(137)122-68(83(140)115-61(25-15-36-110-93(103)104)79(136)120-66(89(146)147)44-55-45-112-58-22-11-10-20-56(55)58)47-149-40-31-73(131)126-49-125-50-127(51-126)74(132)32-41-150-48-69(84(141)114-59(23-13-34-108-91(99)100)77(134)116-63(81(138)124-75)28-29-71(96)129)123-86(143)70-27-17-38-128(70)88(145)65(42-52(3)4)119-78(135)60(24-14-35-109-92(101)102)113-82(139)64(43-53-18-8-7-9-19-53)118-85(142)67(46-148-39-30-72(125)130)121-76(133)57(95)21-12-33-107-90(97)98/h7-11,18-20,22,45,52,54,57,59-70,75,112H,5-6,12-17,21,23-44,46-51,95H2,1-4H3,(H2,96,129)(H,113,139)(H,114,141)(H,115,140)(H,116,134)(H,117,144)(H,118,142)(H,119,135)(H,120,136)(H,121,133)(H,122,137)(H,123,143)(H,124,138)(H,146,147)(H4,97,98,107)(H4,99,100,108)(H4,101,102,109)(H4,103,104,110)(H4,105,106,111)/t57-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,75?/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
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PubMed
| 38 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ecole Polytechnique F�d�rale de Lausanne (EPFL)
Curated by ChEMBL
| Assay Description
Inhibition of human beta factor 12a using fluorogenic substrate Boc-Gln-Gly-Arg-AMC preincubated for 10 mins followed by addition of substrate measur... |
J Med Chem 60: 1151-1158 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01548
BindingDB Entry DOI: 10.7270/Q26D5W8V |
More data for this
Ligand-Target Pair | |
Coagulation factor XII
(Homo sapiens (Human)) | BDBM50229757
(CHEMBL4081537)Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](Cc3ccc(C)cc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N3CCC[C@H]3C(=O)N2)C(=O)CCSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O |r| Show InChI InChI=1S/C94H150N34O19S3/c1-51(2)40-64-82(139)113-62(20-12-35-111-94(105)106)80(137)123-69(84(141)116-61(19-11-34-110-93(103)104)79(136)121-67(89(146)147)43-55-44-112-58-16-7-6-14-56(55)58)46-149-38-29-74(131)126-48-125-49-127(50-126)75(132)30-39-150-47-70(85(142)115-59(17-9-32-108-91(99)100)77(134)117-63(81(138)118-64)26-27-72(96)129)124-87(144)71-21-13-36-128(71)88(145)66(41-52(3)4)120-78(135)60(18-10-33-109-92(101)102)114-83(140)65(42-54-24-22-53(5)23-25-54)119-86(143)68(45-148-37-28-73(125)130)122-76(133)57(95)15-8-31-107-90(97)98/h6-7,14,16,22-25,44,51-52,57,59-71,112H,8-13,15,17-21,26-43,45-50,95H2,1-5H3,(H2,96,129)(H,113,139)(H,114,140)(H,115,142)(H,116,141)(H,117,134)(H,118,138)(H,119,143)(H,120,135)(H,121,136)(H,122,133)(H,123,137)(H,124,144)(H,146,147)(H4,97,98,107)(H4,99,100,108)(H4,101,102,109)(H4,103,104,110)(H4,105,106,111)/t57-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
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UniChem
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| Article
PubMed
| 39 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ecole Polytechnique F�d�rale de Lausanne (EPFL)
Curated by ChEMBL
| Assay Description
Inhibition of human beta factor 12a using fluorogenic substrate Boc-Gln-Gly-Arg-AMC preincubated for 10 mins followed by addition of substrate measur... |
J Med Chem 60: 1151-1158 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01548
BindingDB Entry DOI: 10.7270/Q26D5W8V |
More data for this
Ligand-Target Pair | |
Coagulation factor XII
(Homo sapiens (Human)) | BDBM50229756
(CHEMBL4089409)Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](Cc3ccccc3C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N3CCC[C@H]3C(=O)N2)C(=O)CCSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O |r| Show InChI InChI=1S/C94H150N34O19S3/c1-51(2)40-64-82(139)113-62(24-14-35-111-94(105)106)80(137)123-69(84(141)116-61(23-13-34-110-93(103)104)79(136)121-67(89(146)147)43-55-44-112-58-20-9-8-18-56(55)58)46-149-38-29-74(131)126-48-125-49-127(50-126)75(132)30-39-150-47-70(85(142)115-59(21-11-32-108-91(99)100)77(134)117-63(81(138)118-64)26-27-72(96)129)124-87(144)71-25-15-36-128(71)88(145)66(41-52(3)4)120-78(135)60(22-12-33-109-92(101)102)114-83(140)65(42-54-17-7-6-16-53(54)5)119-86(143)68(45-148-37-28-73(125)130)122-76(133)57(95)19-10-31-107-90(97)98/h6-9,16-18,20,44,51-52,57,59-71,112H,10-15,19,21-43,45-50,95H2,1-5H3,(H2,96,129)(H,113,139)(H,114,140)(H,115,142)(H,116,141)(H,117,134)(H,118,138)(H,119,143)(H,120,135)(H,121,136)(H,122,133)(H,123,137)(H,124,144)(H,146,147)(H4,97,98,107)(H4,99,100,108)(H4,101,102,109)(H4,103,104,110)(H4,105,106,111)/t57-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
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| CHEMBL
PC cid
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UniChem
Similars
| Article
PubMed
| 40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ecole Polytechnique F�d�rale de Lausanne (EPFL)
Curated by ChEMBL
| Assay Description
Inhibition of human beta factor 12a using fluorogenic substrate Boc-Gln-Gly-Arg-AMC preincubated for 10 mins followed by addition of substrate measur... |
J Med Chem 60: 1151-1158 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01548
BindingDB Entry DOI: 10.7270/Q26D5W8V |
More data for this
Ligand-Target Pair | |
Coagulation factor XII
(Homo sapiens (Human)) | BDBM50229979
(CHEMBL4090836)Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N2)C(=O)CCSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O |r| Show InChI InChI=1S/C93H150N34O19S3/c1-50(2)39-63-81(138)112-61(25-16-35-110-93(104)105)79(136)122-68(84(141)115-60(24-15-34-109-92(102)103)78(135)120-66(88(145)146)42-54-43-111-57-21-11-10-19-55(54)57)45-148-37-29-72(130)126-47-125-48-127(49-126)73(131)30-38-149-46-69(85(142)114-58(22-13-32-107-90(98)99)76(133)116-62(80(137)117-63)26-27-70(95)128)123-87(144)74(52(5)6)124-83(140)64(40-51(3)4)118-77(134)59(23-14-33-108-91(100)101)113-82(139)65(41-53-17-8-7-9-18-53)119-86(143)67(44-147-36-28-71(125)129)121-75(132)56(94)20-12-31-106-89(96)97/h7-11,17-19,21,43,50-52,56,58-69,74,111H,12-16,20,22-42,44-49,94H2,1-6H3,(H2,95,128)(H,112,138)(H,113,139)(H,114,142)(H,115,141)(H,116,133)(H,117,137)(H,118,134)(H,119,143)(H,120,135)(H,121,132)(H,122,136)(H,123,144)(H,124,140)(H,145,146)(H4,96,97,106)(H4,98,99,107)(H4,100,101,108)(H4,102,103,109)(H4,104,105,110)/t56-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,74-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
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PC cid
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UniChem
Patents
| Article
PubMed
| 47 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ecole Polytechnique F�d�rale de Lausanne (EPFL)
Curated by ChEMBL
| Assay Description
Inhibition of human beta factor 12a using fluorogenic substrate Boc-Gln-Gly-Arg-AMC preincubated for 10 mins followed by addition of substrate measur... |
J Med Chem 60: 1151-1158 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01548
BindingDB Entry DOI: 10.7270/Q26D5W8V |
More data for this
Ligand-Target Pair | |
Coagulation factor XII
(Homo sapiens (Human)) | BDBM50229746
(CHEMBL4070709)Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N3CCC[C@H]3C(=O)N2)C(=O)CCSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O |r| Show InChI InChI=1S/C94H150N32O19S3/c1-53(2)42-65-83(137)112-63(26-16-37-109-94(104)105)81(135)121-70(85(139)114-62(25-15-36-108-93(102)103)80(134)119-68(90(144)145)45-56-46-110-59-22-11-10-20-57(56)59)48-147-40-31-75(129)124-50-123-51-125(52-124)76(130)32-41-148-49-71(86(140)113-61(24-14-35-107-92(100)101)78(132)115-64(82(136)116-65)28-29-73(97)127)122-88(142)72-27-17-38-126(72)89(143)67(43-54(3)4)118-79(133)60(23-9-6-12-33-95)111-84(138)66(44-55-18-7-5-8-19-55)117-87(141)69(47-146-39-30-74(123)128)120-77(131)58(96)21-13-34-106-91(98)99/h5,7-8,10-11,18-20,22,46,53-54,58,60-72,110H,6,9,12-17,21,23-45,47-52,95-96H2,1-4H3,(H2,97,127)(H,111,138)(H,112,137)(H,113,140)(H,114,139)(H,115,132)(H,116,136)(H,117,141)(H,118,133)(H,119,134)(H,120,131)(H,121,135)(H,122,142)(H,144,145)(H4,98,99,106)(H4,100,101,107)(H4,102,103,108)(H4,104,105,109)/t58-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-/m0/s1 | PDB
UniProtKB/SwissProt
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UniChem
Similars
| Article
PubMed
| 51 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ecole Polytechnique F�d�rale de Lausanne (EPFL)
Curated by ChEMBL
| Assay Description
Inhibition of human beta factor 12a using fluorogenic substrate Boc-Gln-Gly-Arg-AMC preincubated for 10 mins followed by addition of substrate measur... |
J Med Chem 60: 1151-1158 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01548
BindingDB Entry DOI: 10.7270/Q26D5W8V |
More data for this
Ligand-Target Pair | |
Coagulation factor XII
(Homo sapiens (Human)) | BDBM50230019
(CHEMBL4085018)Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](Cc3ccncc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N3CCC[C@H]3C(=O)N2)C(=O)CCSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O |r| Show InChI InChI=1S/C92H147N35O19S3/c1-50(2)39-62-80(138)112-60(19-11-32-110-92(103)104)78(136)122-67(82(140)115-59(18-10-31-109-91(101)102)77(135)120-65(87(145)146)42-53-43-111-56-15-6-5-13-54(53)56)45-148-37-26-72(130)125-47-124-48-126(49-125)73(131)27-38-149-46-68(83(141)114-57(16-8-29-107-89(97)98)75(133)116-61(79(137)117-62)21-22-70(94)128)123-85(143)69-20-12-35-127(69)86(144)64(40-51(3)4)119-76(134)58(17-9-30-108-90(99)100)113-81(139)63(41-52-23-33-105-34-24-52)118-84(142)66(44-147-36-25-71(124)129)121-74(132)55(93)14-7-28-106-88(95)96/h5-6,13,15,23-24,33-34,43,50-51,55,57-69,111H,7-12,14,16-22,25-32,35-42,44-49,93H2,1-4H3,(H2,94,128)(H,112,138)(H,113,139)(H,114,141)(H,115,140)(H,116,133)(H,117,137)(H,118,142)(H,119,134)(H,120,135)(H,121,132)(H,122,136)(H,123,143)(H,145,146)(H4,95,96,106)(H4,97,98,107)(H4,99,100,108)(H4,101,102,109)(H4,103,104,110)/t55-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-/m0/s1 | PDB
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UniChem
Similars
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| 57 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ecole Polytechnique F�d�rale de Lausanne (EPFL)
Curated by ChEMBL
| Assay Description
Inhibition of human beta factor 12a using fluorogenic substrate Boc-Gln-Gly-Arg-AMC preincubated for 10 mins followed by addition of substrate measur... |
J Med Chem 60: 1151-1158 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01548
BindingDB Entry DOI: 10.7270/Q26D5W8V |
More data for this
Ligand-Target Pair | |
Coagulation factor XII
(Homo sapiens (Human)) | BDBM50229733
(CHEMBL4092261)Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N3CCC[C@H]3C(=O)N2)C(=O)CCSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r| Show InChI InChI=1S/C79H131N29O18S3/c1-43(2)34-52-68(118)94-49(18-11-28-92-78(86)87)66(116)103-56(71(121)98-51(75(125)126)19-12-29-93-79(88)89)38-128-32-24-61(111)106-40-105-41-107(42-106)62(112)25-33-129-39-57(70(120)96-47(16-9-26-90-76(82)83)64(114)97-50(67(117)99-52)21-22-59(81)109)104-73(123)58-20-13-30-108(58)74(124)54(35-44(3)4)101-65(115)48(17-10-27-91-77(84)85)95-69(119)53(36-46-14-7-6-8-15-46)100-72(122)55(102-63(113)45(5)80)37-127-31-23-60(105)110/h6-8,14-15,43-45,47-58H,9-13,16-42,80H2,1-5H3,(H2,81,109)(H,94,118)(H,95,119)(H,96,120)(H,97,114)(H,98,121)(H,99,117)(H,100,122)(H,101,115)(H,102,113)(H,103,116)(H,104,123)(H,125,126)(H4,82,83,90)(H4,84,85,91)(H4,86,87,92)(H4,88,89,93)/t45-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-/m0/s1 | PDB
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KEGG
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| 59 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ecole Polytechnique F�d�rale de Lausanne (EPFL)
Curated by ChEMBL
| Assay Description
Inhibition of human beta factor 12a using fluorogenic substrate Boc-Gln-Gly-Arg-AMC preincubated for 10 mins followed by addition of substrate measur... |
J Med Chem 60: 1151-1158 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01548
BindingDB Entry DOI: 10.7270/Q26D5W8V |
More data for this
Ligand-Target Pair | |
Coagulation factor XII
(Homo sapiens (Human)) | BDBM50229747
(CHEMBL4083175)Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N3CCC[C@H]3C(=O)N2)C(=O)CCSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O |r| Show InChI InChI=1S/C94H150N34O19S3/c1-52(2)41-64-82(139)114-62(25-15-36-111-94(105)106)80(137)123-69(84(141)116-61(24-14-35-110-93(103)104)79(136)121-67(89(146)147)44-55-45-112-58-21-9-8-19-56(55)58)47-149-39-30-74(131)126-49-125-50-127(51-126)75(132)31-40-150-48-70(85(142)115-60(23-13-34-109-92(101)102)77(134)117-63(81(138)118-64)27-28-72(96)129)124-87(144)71-26-16-37-128(71)88(145)66(42-53(3)4)120-78(135)59(22-10-11-32-107-90(97)98)113-83(140)65(43-54-17-6-5-7-18-54)119-86(143)68(46-148-38-29-73(125)130)122-76(133)57(95)20-12-33-108-91(99)100/h5-9,17-19,21,45,52-53,57,59-71,112H,10-16,20,22-44,46-51,95H2,1-4H3,(H2,96,129)(H,113,140)(H,114,139)(H,115,142)(H,116,141)(H,117,134)(H,118,138)(H,119,143)(H,120,135)(H,121,136)(H,122,133)(H,123,137)(H,124,144)(H,146,147)(H4,97,98,107)(H4,99,100,108)(H4,101,102,109)(H4,103,104,110)(H4,105,106,111)/t57-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-/m0/s1 | PDB
UniProtKB/SwissProt
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PubMed
| 71 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ecole Polytechnique F�d�rale de Lausanne (EPFL)
Curated by ChEMBL
| Assay Description
Inhibition of human beta factor 12a using fluorogenic substrate Boc-Gln-Gly-Arg-AMC preincubated for 10 mins followed by addition of substrate measur... |
J Med Chem 60: 1151-1158 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01548
BindingDB Entry DOI: 10.7270/Q26D5W8V |
More data for this
Ligand-Target Pair | |
Coagulation factor XII
(Homo sapiens (Human)) | BDBM50229752
(CHEMBL4060539)Show SMILES CCC[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N3CCC[C@H]3C(=O)N2)C(=O)CCSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O |r| Show InChI InChI=1S/C92H146N34O19S3/c1-4-16-57-75(132)112-61(25-14-36-109-92(103)104)79(136)121-67(82(139)115-60(24-13-35-108-91(101)102)78(135)119-65(87(144)145)43-53-44-110-56-21-9-8-19-54(53)56)46-147-39-30-72(129)124-48-123-49-125(50-124)73(130)31-40-148-47-68(83(140)114-58(22-11-33-106-89(97)98)76(133)116-62(80(137)111-57)27-28-70(94)127)122-85(142)69-26-15-37-126(69)86(143)64(41-51(2)3)118-77(134)59(23-12-34-107-90(99)100)113-81(138)63(42-52-17-6-5-7-18-52)117-84(141)66(45-146-38-29-71(123)128)120-74(131)55(93)20-10-32-105-88(95)96/h5-9,17-19,21,44,51,55,57-69,110H,4,10-16,20,22-43,45-50,93H2,1-3H3,(H2,94,127)(H,111,137)(H,112,132)(H,113,138)(H,114,140)(H,115,139)(H,116,133)(H,117,141)(H,118,134)(H,119,135)(H,120,131)(H,121,136)(H,122,142)(H,144,145)(H4,95,96,105)(H4,97,98,106)(H4,99,100,107)(H4,101,102,108)(H4,103,104,109)/t55-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
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UniChem
Similars
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PubMed
| 72 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ecole Polytechnique F�d�rale de Lausanne (EPFL)
Curated by ChEMBL
| Assay Description
Inhibition of human beta factor 12a using fluorogenic substrate Boc-Gln-Gly-Arg-AMC preincubated for 10 mins followed by addition of substrate measur... |
J Med Chem 60: 1151-1158 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01548
BindingDB Entry DOI: 10.7270/Q26D5W8V |
More data for this
Ligand-Target Pair | |
Coagulation factor XII
(Homo sapiens (Human)) | BDBM50229986
(CHEMBL4065820)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N3CCC[C@H]3C(=O)N2)C(=O)CCSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O |r| Show InChI InChI=1S/C93H148N34O19S3/c1-5-52(4)74-86(143)116-61(25-15-36-110-93(104)105)79(136)121-67(82(139)114-60(24-14-35-109-92(102)103)78(135)119-65(88(145)146)43-54-44-111-57-21-10-9-19-55(54)57)46-148-39-30-72(130)125-48-124-49-126(50-125)73(131)31-40-149-47-68(83(140)113-58(22-12-33-107-90(98)99)76(133)115-62(80(137)123-74)27-28-70(95)128)122-85(142)69-26-16-37-127(69)87(144)64(41-51(2)3)118-77(134)59(23-13-34-108-91(100)101)112-81(138)63(42-53-17-7-6-8-18-53)117-84(141)66(45-147-38-29-71(124)129)120-75(132)56(94)20-11-32-106-89(96)97/h6-10,17-19,21,44,51-52,56,58-69,74,111H,5,11-16,20,22-43,45-50,94H2,1-4H3,(H2,95,128)(H,112,138)(H,113,140)(H,114,139)(H,115,133)(H,116,143)(H,117,141)(H,118,134)(H,119,135)(H,120,132)(H,121,136)(H,122,142)(H,123,137)(H,145,146)(H4,96,97,106)(H4,98,99,107)(H4,100,101,108)(H4,102,103,109)(H4,104,105,110)/t52-,56-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,74-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
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Similars
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PubMed
| 78 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ecole Polytechnique F�d�rale de Lausanne (EPFL)
Curated by ChEMBL
| Assay Description
Inhibition of human beta factor 12a using fluorogenic substrate Boc-Gln-Gly-Arg-AMC preincubated for 10 mins followed by addition of substrate measur... |
J Med Chem 60: 1151-1158 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01548
BindingDB Entry DOI: 10.7270/Q26D5W8V |
More data for this
Ligand-Target Pair | |
Coagulation factor XII
(Homo sapiens (Human)) | BDBM50229990
(CHEMBL4101795)Show SMILES CC[C@H](C)[C@H](N)C(=O)N[C@H]1CSCCC(=O)N2CN3CN(C2)C(=O)CCSC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccccc2)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CSCCC3=O)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r| Show InChI InChI=1S/C82H137N29O18S3/c1-7-47(6)65(84)76(126)107-59-41-132-35-27-64(115)110-43-108-42-109(44-110)63(114)26-34-131-40-58(106-75(125)60-22-15-32-111(60)77(127)56(37-46(4)5)104-67(117)50(19-12-29-94-80(87)88)98-71(121)55(103-74(59)124)38-48-16-9-8-10-17-48)72(122)99-49(18-11-28-93-79(85)86)66(116)100-52(23-24-61(83)112)69(119)102-54(36-45(2)3)70(120)97-51(20-13-30-95-81(89)90)68(118)105-57(39-130-33-25-62(108)113)73(123)101-53(78(128)129)21-14-31-96-82(91)92/h8-10,16-17,45-47,49-60,65H,7,11-15,18-44,84H2,1-6H3,(H2,83,112)(H,97,120)(H,98,121)(H,99,122)(H,100,116)(H,101,123)(H,102,119)(H,103,124)(H,104,117)(H,105,118)(H,106,125)(H,107,126)(H,128,129)(H4,85,86,93)(H4,87,88,94)(H4,89,90,95)(H4,91,92,96)/t47-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,65-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 83 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ecole Polytechnique F�d�rale de Lausanne (EPFL)
Curated by ChEMBL
| Assay Description
Inhibition of human beta factor 12a using fluorogenic substrate Boc-Gln-Gly-Arg-AMC preincubated for 10 mins followed by addition of substrate measur... |
J Med Chem 60: 1151-1158 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01548
BindingDB Entry DOI: 10.7270/Q26D5W8V |
More data for this
Ligand-Target Pair | |
Coagulation factor XII
(Homo sapiens (Human)) | BDBM50230024
(CHEMBL4080363)Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](Cc3ccc(I)cc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N3CCC[C@H]3C(=O)N2)C(=O)CCSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O |r| Show InChI InChI=1S/C93H147IN34O19S3/c1-50(2)39-63-81(139)113-61(19-11-34-111-93(105)106)79(137)123-68(83(141)116-60(18-10-33-110-92(103)104)78(136)121-66(88(146)147)42-53-43-112-57-15-6-5-13-55(53)57)45-149-37-28-73(131)126-47-125-48-127(49-126)74(132)29-38-150-46-69(84(142)115-58(16-8-31-108-90(99)100)76(134)117-62(80(138)118-63)25-26-71(96)129)124-86(144)70-20-12-35-128(70)87(145)65(40-51(3)4)120-77(135)59(17-9-32-109-91(101)102)114-82(140)64(41-52-21-23-54(94)24-22-52)119-85(143)67(44-148-36-27-72(125)130)122-75(133)56(95)14-7-30-107-89(97)98/h5-6,13,15,21-24,43,50-51,56,58-70,112H,7-12,14,16-20,25-42,44-49,95H2,1-4H3,(H2,96,129)(H,113,139)(H,114,140)(H,115,142)(H,116,141)(H,117,134)(H,118,138)(H,119,143)(H,120,135)(H,121,136)(H,122,133)(H,123,137)(H,124,144)(H,146,147)(H4,97,98,107)(H4,99,100,108)(H4,101,102,109)(H4,103,104,110)(H4,105,106,111)/t56-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-/m0/s1 | PDB
UniProtKB/SwissProt
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UniChem
Similars
| Article
PubMed
| 92 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ecole Polytechnique F�d�rale de Lausanne (EPFL)
Curated by ChEMBL
| Assay Description
Inhibition of human beta factor 12a using fluorogenic substrate Boc-Gln-Gly-Arg-AMC preincubated for 10 mins followed by addition of substrate measur... |
J Med Chem 60: 1151-1158 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01548
BindingDB Entry DOI: 10.7270/Q26D5W8V |
More data for this
Ligand-Target Pair | |
Coagulation factor XII
(Homo sapiens (Human)) | BDBM50229745
(CHEMBL4099601)Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](Cc3c[nH]c4ccc(O)cc34)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N3CCC[C@H]3C(=O)N2)C(=O)CCSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O |r| Show InChI InChI=1S/C95H149N35O20S3/c1-50(2)37-65-83(142)115-63(19-11-32-112-95(106)107)81(140)125-70(85(144)118-62(18-10-31-111-94(104)105)80(139)123-68(90(149)150)40-52-42-113-58-15-6-5-13-55(52)58)45-152-35-26-75(134)128-47-127-48-129(49-128)76(135)27-36-153-46-71(86(145)117-60(16-8-29-109-92(100)101)78(137)119-64(82(141)120-65)23-24-73(97)132)126-88(147)72-20-12-33-130(72)89(148)67(38-51(3)4)122-79(138)61(17-9-30-110-93(102)103)116-84(143)66(39-53-43-114-59-22-21-54(131)41-56(53)59)121-87(146)69(44-151-34-25-74(127)133)124-77(136)57(96)14-7-28-108-91(98)99/h5-6,13,15,21-22,41-43,50-51,57,60-72,113-114,131H,7-12,14,16-20,23-40,44-49,96H2,1-4H3,(H2,97,132)(H,115,142)(H,116,143)(H,117,145)(H,118,144)(H,119,137)(H,120,141)(H,121,146)(H,122,138)(H,123,139)(H,124,136)(H,125,140)(H,126,147)(H,149,150)(H4,98,99,108)(H4,100,101,109)(H4,102,103,110)(H4,104,105,111)(H4,106,107,112)/t57-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 94 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ecole Polytechnique F�d�rale de Lausanne (EPFL)
Curated by ChEMBL
| Assay Description
Inhibition of human beta factor 12a using fluorogenic substrate Boc-Gln-Gly-Arg-AMC preincubated for 10 mins followed by addition of substrate measur... |
J Med Chem 60: 1151-1158 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01548
BindingDB Entry DOI: 10.7270/Q26D5W8V |
More data for this
Ligand-Target Pair | |
Coagulation factor XII
(Homo sapiens (Human)) | BDBM50229732
(CHEMBL4083791)Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N3CCC[C@H]3C(=O)N2)C(=O)CCSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r| Show InChI InChI=1S/C81H135N29O18S3/c1-44(2)35-53-69(119)96-50(19-12-29-94-80(88)89)67(117)104-56(72(122)100-52(77(127)128)20-13-30-95-81(90)91)38-129-32-24-61(112)107-41-108-43-109(42-107)63(114)26-34-131-40-58(106-75(125)64(83)46(5)6)73(123)102-54(37-47-15-8-7-9-16-47)70(120)97-49(18-11-28-93-79(86)87)66(116)103-55(36-45(3)4)76(126)110-31-14-21-59(110)74(124)105-57(39-130-33-25-62(108)113)71(121)98-48(17-10-27-92-78(84)85)65(115)99-51(68(118)101-53)22-23-60(82)111/h7-9,15-16,44-46,48-59,64H,10-14,17-43,83H2,1-6H3,(H2,82,111)(H,96,119)(H,97,120)(H,98,121)(H,99,115)(H,100,122)(H,101,118)(H,102,123)(H,103,116)(H,104,117)(H,105,124)(H,106,125)(H,127,128)(H4,84,85,92)(H4,86,87,93)(H4,88,89,94)(H4,90,91,95)/t48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,64-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 99 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ecole Polytechnique F�d�rale de Lausanne (EPFL)
Curated by ChEMBL
| Assay Description
Inhibition of human beta factor 12a using fluorogenic substrate Boc-Gln-Gly-Arg-AMC preincubated for 10 mins followed by addition of substrate measur... |
J Med Chem 60: 1151-1158 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01548
BindingDB Entry DOI: 10.7270/Q26D5W8V |
More data for this
Ligand-Target Pair | |
Coagulation factor XII
(Homo sapiens (Human)) | BDBM50229981
(CHEMBL4083046)Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N2)C(=O)CCSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O |r| Show InChI InChI=1S/C92H147N35O20S3/c1-49(2)37-61-80(139)112-59(23-14-33-110-92(104)105)78(137)123-67(84(143)115-58(22-13-32-109-91(102)103)77(136)121-65(87(146)147)40-52-42-111-55-19-9-8-17-53(52)55)44-149-35-27-72(131)126-46-125-47-127(48-126)73(132)28-36-150-45-68(85(144)114-56(20-11-30-107-89(98)99)75(134)116-60(79(138)118-61)24-25-69(94)128)124-83(142)64(41-70(95)129)120-81(140)62(38-50(3)4)117-76(135)57(21-12-31-108-90(100)101)113-82(141)63(39-51-15-6-5-7-16-51)119-86(145)66(43-148-34-26-71(125)130)122-74(133)54(93)18-10-29-106-88(96)97/h5-9,15-17,19,42,49-50,54,56-68,111H,10-14,18,20-41,43-48,93H2,1-4H3,(H2,94,128)(H2,95,129)(H,112,139)(H,113,141)(H,114,144)(H,115,143)(H,116,134)(H,117,135)(H,118,138)(H,119,145)(H,120,140)(H,121,136)(H,122,133)(H,123,137)(H,124,142)(H,146,147)(H4,96,97,106)(H4,98,99,107)(H4,100,101,108)(H4,102,103,109)(H4,104,105,110)/t54-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-/m0/s1 | PDB
UniProtKB/SwissProt
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| 104 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ecole Polytechnique F�d�rale de Lausanne (EPFL)
Curated by ChEMBL
| Assay Description
Inhibition of human beta factor 12a using fluorogenic substrate Boc-Gln-Gly-Arg-AMC preincubated for 10 mins followed by addition of substrate measur... |
J Med Chem 60: 1151-1158 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01548
BindingDB Entry DOI: 10.7270/Q26D5W8V |
More data for this
Ligand-Target Pair | |
Coagulation factor XII
(Homo sapiens (Human)) | BDBM50229884
(CHEMBL4089914)Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N3CCC[C@H]3C(=O)N2)C(=O)CCSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O |r| Show InChI InChI=1S/C93H148N32O19S3/c1-52(2)41-64-82(136)111-62(25-15-36-108-93(103)104)80(134)120-69(84(138)113-61(24-14-35-107-92(101)102)79(133)118-67(89(143)144)44-55-45-109-58-21-9-8-19-56(55)58)47-146-39-30-74(128)123-49-122-50-124(51-123)75(129)31-40-147-48-70(85(139)112-60(23-13-34-106-91(99)100)77(131)114-63(81(135)115-64)27-28-72(96)126)121-87(141)71-26-16-37-125(71)88(142)66(42-53(3)4)117-78(132)59(22-10-11-32-94)110-83(137)65(43-54-17-6-5-7-18-54)116-86(140)68(46-145-38-29-73(122)127)119-76(130)57(95)20-12-33-105-90(97)98/h5-9,17-19,21,45,52-53,57,59-71,109H,10-16,20,22-44,46-51,94-95H2,1-4H3,(H2,96,126)(H,110,137)(H,111,136)(H,112,139)(H,113,138)(H,114,131)(H,115,135)(H,116,140)(H,117,132)(H,118,133)(H,119,130)(H,120,134)(H,121,141)(H,143,144)(H4,97,98,105)(H4,99,100,106)(H4,101,102,107)(H4,103,104,108)/t57-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
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PubMed
| 111 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ecole Polytechnique F�d�rale de Lausanne (EPFL)
Curated by ChEMBL
| Assay Description
Inhibition of human beta factor 12a using fluorogenic substrate Boc-Gln-Gly-Arg-AMC preincubated for 10 mins followed by addition of substrate measur... |
J Med Chem 60: 1151-1158 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01548
BindingDB Entry DOI: 10.7270/Q26D5W8V |
More data for this
Ligand-Target Pair | |
Coagulation factor XII
(Homo sapiens (Human)) | BDBM50230022
(CHEMBL4077206)Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](C\C=C\c3ccccc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N3CCC[C@H]3C(=O)N2)C(=O)CCSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O |r| Show InChI InChI=1S/C95H150N34O19S3/c1-53(2)43-66-84(141)115-64(27-15-38-112-95(106)107)82(139)124-70(86(143)118-63(26-14-37-111-94(104)105)81(138)122-68(90(147)148)45-56-46-113-59-22-9-8-20-57(56)59)48-150-41-32-75(132)127-50-126-51-128(52-127)76(133)33-42-151-49-71(87(144)117-61(24-12-35-109-92(100)101)79(136)119-65(83(140)120-66)29-30-73(97)130)125-88(145)72-28-16-39-129(72)89(146)67(44-54(3)4)121-80(137)62(25-13-36-110-93(102)103)114-78(135)60(23-10-19-55-17-6-5-7-18-55)116-85(142)69(47-149-40-31-74(126)131)123-77(134)58(96)21-11-34-108-91(98)99/h5-10,17-20,22,46,53-54,58,60-72,113H,11-16,21,23-45,47-52,96H2,1-4H3,(H2,97,130)(H,114,135)(H,115,141)(H,116,142)(H,117,144)(H,118,143)(H,119,136)(H,120,140)(H,121,137)(H,122,138)(H,123,134)(H,124,139)(H,125,145)(H,147,148)(H4,98,99,108)(H4,100,101,109)(H4,102,103,110)(H4,104,105,111)(H4,106,107,112)/b19-10+/t58-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
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PC cid
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PubMed
| 114 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ecole Polytechnique F�d�rale de Lausanne (EPFL)
Curated by ChEMBL
| Assay Description
Inhibition of human beta factor 12a using fluorogenic substrate Boc-Gln-Gly-Arg-AMC preincubated for 10 mins followed by addition of substrate measur... |
J Med Chem 60: 1151-1158 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01548
BindingDB Entry DOI: 10.7270/Q26D5W8V |
More data for this
Ligand-Target Pair | |
Coagulation factor XII
(Homo sapiens (Human)) | BDBM50229995
(CHEMBL4069735)Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N2)C(=O)CCSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O |r| Show InChI InChI=1S/C92H146N34O21S3/c1-49(2)37-61-80(139)111-59(23-14-33-109-92(103)104)78(137)122-67(84(143)114-58(22-13-32-108-91(101)102)77(136)120-65(87(146)147)40-52-42-110-55-19-9-8-17-53(52)55)44-149-35-27-71(129)125-46-124-47-126(48-125)72(130)28-36-150-45-68(85(144)113-56(20-11-30-106-89(97)98)75(134)115-60(79(138)117-61)24-25-69(94)127)123-83(142)64(41-73(131)132)119-81(140)62(38-50(3)4)116-76(135)57(21-12-31-107-90(99)100)112-82(141)63(39-51-15-6-5-7-16-51)118-86(145)66(43-148-34-26-70(124)128)121-74(133)54(93)18-10-29-105-88(95)96/h5-9,15-17,19,42,49-50,54,56-68,110H,10-14,18,20-41,43-48,93H2,1-4H3,(H2,94,127)(H,111,139)(H,112,141)(H,113,144)(H,114,143)(H,115,134)(H,116,135)(H,117,138)(H,118,145)(H,119,140)(H,120,136)(H,121,133)(H,122,137)(H,123,142)(H,131,132)(H,146,147)(H4,95,96,105)(H4,97,98,106)(H4,99,100,107)(H4,101,102,108)(H4,103,104,109)/t54-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
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| CHEMBL
PC cid
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UniChem
Similars
| Article
PubMed
| 120 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ecole Polytechnique F�d�rale de Lausanne (EPFL)
Curated by ChEMBL
| Assay Description
Inhibition of human beta factor 12a using fluorogenic substrate Boc-Gln-Gly-Arg-AMC preincubated for 10 mins followed by addition of substrate measur... |
J Med Chem 60: 1151-1158 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01548
BindingDB Entry DOI: 10.7270/Q26D5W8V |
More data for this
Ligand-Target Pair | |
Coagulation factor XII
(Homo sapiens (Human)) | BDBM50229877
(CHEMBL4103630)Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N3CCC[C@H]3C(=O)N2)C(=O)CCSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O |r| Show InChI InChI=1S/C87H144N34O19S3/c1-46(2)36-58-76(133)108-56(20-12-31-104-87(98)99)74(131)116-62(78(135)110-55(19-11-30-103-86(96)97)73(130)114-60(82(139)140)38-49-39-105-52-16-7-6-14-50(49)52)41-142-34-25-67(124)119-43-118-44-120(45-119)68(125)26-35-143-42-63(79(136)109-54(18-10-29-102-85(94)95)71(128)111-57(75(132)112-58)22-23-65(89)122)117-80(137)64-21-13-32-121(64)81(138)59(37-47(3)4)113-72(129)53(17-9-28-101-84(92)93)107-69(126)48(5)106-77(134)61(40-141-33-24-66(118)123)115-70(127)51(88)15-8-27-100-83(90)91/h6-7,14,16,39,46-48,51,53-64,105H,8-13,15,17-38,40-45,88H2,1-5H3,(H2,89,122)(H,106,134)(H,107,126)(H,108,133)(H,109,136)(H,110,135)(H,111,128)(H,112,132)(H,113,129)(H,114,130)(H,115,127)(H,116,131)(H,117,137)(H,139,140)(H4,90,91,100)(H4,92,93,101)(H4,94,95,102)(H4,96,97,103)(H4,98,99,104)/t48-,51-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-/m0/s1 | PDB
UniProtKB/SwissProt
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PubMed
| 132 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ecole Polytechnique F�d�rale de Lausanne (EPFL)
Curated by ChEMBL
| Assay Description
Inhibition of human beta factor 12a using fluorogenic substrate Boc-Gln-Gly-Arg-AMC preincubated for 10 mins followed by addition of substrate measur... |
J Med Chem 60: 1151-1158 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01548
BindingDB Entry DOI: 10.7270/Q26D5W8V |
More data for this
Ligand-Target Pair | |
Coagulation factor XII
(Homo sapiens (Human)) | BDBM50230021
(CHEMBL4093432)Show SMILES CSCC[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N3CCC[C@H]3C(=O)N2)C(=O)CCSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O |r| Show InChI InChI=1S/C92H146N34O19S4/c1-51(2)41-64-86(143)126-36-14-24-69(126)85(142)122-68-47-149-40-30-73(130)125-49-123(71(128)28-38-147-45-66(120-74(131)55(93)18-9-31-105-88(95)96)84(141)117-63(42-52-15-5-4-6-16-52)81(138)112-58(76(133)118-64)21-11-33-107-90(99)100)48-124(50-125)72(129)29-39-148-46-67(82(139)114-59(22-12-34-108-91(101)102)77(134)119-65(87(144)145)43-53-44-110-56-19-8-7-17-54(53)56)121-78(135)60(23-13-35-109-92(103)104)111-80(137)62(27-37-146-3)116-79(136)61(25-26-70(94)127)115-75(132)57(113-83(68)140)20-10-32-106-89(97)98/h4-8,15-17,19,44,51,55,57-69,110H,9-14,18,20-43,45-50,93H2,1-3H3,(H2,94,127)(H,111,137)(H,112,138)(H,113,140)(H,114,139)(H,115,132)(H,116,136)(H,117,141)(H,118,133)(H,119,134)(H,120,131)(H,121,135)(H,122,142)(H,144,145)(H4,95,96,105)(H4,97,98,106)(H4,99,100,107)(H4,101,102,108)(H4,103,104,109)/t55-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
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| CHEMBL
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Similars
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PubMed
| 143 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ecole Polytechnique F�d�rale de Lausanne (EPFL)
Curated by ChEMBL
| Assay Description
Inhibition of human beta factor 12a using fluorogenic substrate Boc-Gln-Gly-Arg-AMC preincubated for 10 mins followed by addition of substrate measur... |
J Med Chem 60: 1151-1158 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01548
BindingDB Entry DOI: 10.7270/Q26D5W8V |
More data for this
Ligand-Target Pair | |
Coagulation factor XII
(Homo sapiens (Human)) | BDBM50229748
(CHEMBL4069986)Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N3CCC[C@H]3C(=O)N2)C(=O)CCSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O |r| Show InChI InChI=1S/C92H146N34O19S3/c1-50(2)39-62-80(137)111-59(22-13-33-108-91(101)102)77(134)121-67(82(139)113-58(21-12-32-107-90(99)100)76(133)119-65(87(144)145)42-53-43-110-56-19-9-8-17-54(53)56)45-147-37-28-72(129)124-47-123-48-125(49-124)73(130)29-38-148-46-68(83(140)112-57(20-11-31-106-89(97)98)75(132)114-60(78(135)116-62)24-25-70(94)127)122-85(142)69-23-14-35-126(69)86(143)64(40-51(3)4)118-79(136)61(26-34-109-92(103)104)115-81(138)63(41-52-15-6-5-7-16-52)117-84(141)66(44-146-36-27-71(123)128)120-74(131)55(93)18-10-30-105-88(95)96/h5-9,15-17,19,43,50-51,55,57-69,110H,10-14,18,20-42,44-49,93H2,1-4H3,(H2,94,127)(H,111,137)(H,112,140)(H,113,139)(H,114,132)(H,115,138)(H,116,135)(H,117,141)(H,118,136)(H,119,133)(H,120,131)(H,121,134)(H,122,142)(H,144,145)(H4,95,96,105)(H4,97,98,106)(H4,99,100,107)(H4,101,102,108)(H4,103,104,109)/t55-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 156 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ecole Polytechnique F�d�rale de Lausanne (EPFL)
Curated by ChEMBL
| Assay Description
Inhibition of human beta factor 12a using fluorogenic substrate Boc-Gln-Gly-Arg-AMC preincubated for 10 mins followed by addition of substrate measur... |
J Med Chem 60: 1151-1158 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01548
BindingDB Entry DOI: 10.7270/Q26D5W8V |
More data for this
Ligand-Target Pair | |
Coagulation factor XII
(Homo sapiens (Human)) | BDBM50229883
(CHEMBL4104508)Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N3CCC[C@H]3C(=O)N2)C(=O)CCSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O |r| Show InChI InChI=1S/C89H148N34O19S3/c1-47(2)37-59-77(134)108-56(20-12-31-105-88(98)99)75(132)117-62(78(135)110-55(19-11-30-104-87(96)97)74(131)115-61(84(141)142)39-50-40-107-53-17-8-7-15-51(50)53)41-143-34-25-67(125)120-44-121-46-122(45-120)69(127)27-36-145-43-64(116-71(128)52(90)16-9-28-102-85(92)93)80(137)119-70(49(5)6)82(139)112-57(21-13-32-106-89(100)101)73(130)114-60(38-48(3)4)83(140)123-33-14-22-65(123)81(138)118-63(42-144-35-26-68(121)126)79(136)109-54(18-10-29-103-86(94)95)72(129)111-58(76(133)113-59)23-24-66(91)124/h7-8,15,17,40,47-49,52,54-65,70,107H,9-14,16,18-39,41-46,90H2,1-6H3,(H2,91,124)(H,108,134)(H,109,136)(H,110,135)(H,111,129)(H,112,139)(H,113,133)(H,114,130)(H,115,131)(H,116,128)(H,117,132)(H,118,138)(H,119,137)(H,141,142)(H4,92,93,102)(H4,94,95,103)(H4,96,97,104)(H4,98,99,105)(H4,100,101,106)/t52-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,70-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
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PubMed
| 160 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ecole Polytechnique F�d�rale de Lausanne (EPFL)
Curated by ChEMBL
| Assay Description
Inhibition of human beta factor 12a using fluorogenic substrate Boc-Gln-Gly-Arg-AMC preincubated for 10 mins followed by addition of substrate measur... |
J Med Chem 60: 1151-1158 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01548
BindingDB Entry DOI: 10.7270/Q26D5W8V |
More data for this
Ligand-Target Pair | |
Coagulation factor XII
(Homo sapiens (Human)) | BDBM50229749
(CHEMBL4082321)Show SMILES CCC[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CSCCC(=O)N2CN3CN(C2)C(=O)CCSC[C@H](NC(=O)[C@@H]2CCCN2C1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CSCCC3=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O)NC(=O)[C@@H](N)CCCNC(N)=N |r| Show InChI InChI=1S/C92H146N34O19S3/c1-4-16-62-86(143)126-37-15-26-69(126)85(142)122-68-47-148-40-31-73(130)125-49-123(71(128)29-38-146-45-66(120-74(131)55(93)20-10-32-105-88(95)96)84(141)118-64(42-52-17-6-5-7-18-52)81(138)112-58(76(133)116-62)23-12-34-107-90(99)100)48-124(50-125)72(129)30-39-147-46-67(82(139)114-59(24-13-35-108-91(101)102)77(134)119-65(87(144)145)43-53-44-110-56-21-9-8-19-54(53)56)121-78(135)60(25-14-36-109-92(103)104)111-80(137)63(41-51(2)3)117-79(136)61(27-28-70(94)127)115-75(132)57(113-83(68)140)22-11-33-106-89(97)98/h5-9,17-19,21,44,51,55,57-69,110H,4,10-16,20,22-43,45-50,93H2,1-3H3,(H2,94,127)(H,111,137)(H,112,138)(H,113,140)(H,114,139)(H,115,132)(H,116,133)(H,117,136)(H,118,141)(H,119,134)(H,120,131)(H,121,135)(H,122,142)(H,144,145)(H4,95,96,105)(H4,97,98,106)(H4,99,100,107)(H4,101,102,108)(H4,103,104,109)/t55-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 220 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ecole Polytechnique F�d�rale de Lausanne (EPFL)
Curated by ChEMBL
| Assay Description
Inhibition of human beta factor 12a using fluorogenic substrate Boc-Gln-Gly-Arg-AMC preincubated for 10 mins followed by addition of substrate measur... |
J Med Chem 60: 1151-1158 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01548
BindingDB Entry DOI: 10.7270/Q26D5W8V |
More data for this
Ligand-Target Pair | |
Coagulation factor XII
(Homo sapiens (Human)) | BDBM50229740
(CHEMBL4101181)Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](CCC3CCCCC3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N3CCC[C@H]3C(=O)N2)C(=O)CCSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O |r| Show InChI InChI=1S/C94H156N34O19S3/c1-52(2)42-65-83(140)114-62(24-14-37-111-94(105)106)80(137)123-69(85(142)116-61(23-13-36-110-93(103)104)79(136)121-67(89(146)147)44-55-45-112-58-20-9-8-18-56(55)58)47-149-40-31-74(131)126-49-125-50-127(51-126)75(132)32-41-150-48-70(86(143)115-59(21-11-34-108-91(99)100)77(134)117-64(82(139)119-65)28-29-72(96)129)124-87(144)71-25-15-38-128(71)88(145)66(43-53(3)4)120-78(135)60(22-12-35-109-92(101)102)113-81(138)63(27-26-54-16-6-5-7-17-54)118-84(141)68(46-148-39-30-73(125)130)122-76(133)57(95)19-10-33-107-90(97)98/h8-9,18,20,45,52-54,57,59-71,112H,5-7,10-17,19,21-44,46-51,95H2,1-4H3,(H2,96,129)(H,113,138)(H,114,140)(H,115,143)(H,116,142)(H,117,134)(H,118,141)(H,119,139)(H,120,135)(H,121,136)(H,122,133)(H,123,137)(H,124,144)(H,146,147)(H4,97,98,107)(H4,99,100,108)(H4,101,102,109)(H4,103,104,110)(H4,105,106,111)/t57-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| 290 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ecole Polytechnique F�d�rale de Lausanne (EPFL)
Curated by ChEMBL
| Assay Description
Inhibition of human beta factor 12a using fluorogenic substrate Boc-Gln-Gly-Arg-AMC preincubated for 10 mins followed by addition of substrate measur... |
J Med Chem 60: 1151-1158 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01548
BindingDB Entry DOI: 10.7270/Q26D5W8V |
More data for this
Ligand-Target Pair | |
Coagulation factor XII
(Homo sapiens (Human)) | BDBM50230025
(CHEMBL4080287)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CSCCC(=O)N2CN3CN(C2)C(=O)CCSC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CSCCC3=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O)NC(=O)[C@@H](N)CCCNC(N)=N |r| Show InChI InChI=1S/C90H150N34O19S3/c1-7-50(6)71-83(140)113-58(22-14-33-107-90(101)102)74(131)115-61(39-49(4)5)84(141)124-34-15-23-66(124)82(139)119-64-43-145-36-27-69(127)122-45-121(46-123(47-122)70(128)28-37-146-44-65(81(138)120-71)117-72(129)53(91)17-10-29-103-86(93)94)68(126)26-35-144-42-63(79(136)111-56(20-12-31-105-88(97)98)75(132)116-62(85(142)143)40-51-41-108-54-18-9-8-16-52(51)54)118-76(133)57(21-13-32-106-89(99)100)109-78(135)60(38-48(2)3)114-77(134)59(24-25-67(92)125)112-73(130)55(110-80(64)137)19-11-30-104-87(95)96/h8-9,16,18,41,48-50,53,55-66,71,108H,7,10-15,17,19-40,42-47,91H2,1-6H3,(H2,92,125)(H,109,135)(H,110,137)(H,111,136)(H,112,130)(H,113,140)(H,114,134)(H,115,131)(H,116,132)(H,117,129)(H,118,133)(H,119,139)(H,120,138)(H,142,143)(H4,93,94,103)(H4,95,96,104)(H4,97,98,105)(H4,99,100,106)(H4,101,102,107)/t50-,53-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,71-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 310 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ecole Polytechnique F�d�rale de Lausanne (EPFL)
Curated by ChEMBL
| Assay Description
Inhibition of human beta factor 12a using fluorogenic substrate Boc-Gln-Gly-Arg-AMC preincubated for 10 mins followed by addition of substrate measur... |
J Med Chem 60: 1151-1158 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01548
BindingDB Entry DOI: 10.7270/Q26D5W8V |
More data for this
Ligand-Target Pair | |
Coagulation factor XII
(Homo sapiens (Human)) | BDBM50229985
(CHEMBL4079514)Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CSCCC(=O)N2CN3CN(C2)C(=O)CCSC[C@H](NC(=O)[C@@H]2CCCN2C1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CSCCC3=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O)NC(=O)[C@@H](N)CCCNC(N)=N |r| Show InChI InChI=1S/C92H146N34O19S3/c1-50(2)40-63-86(143)126-36-15-25-68(126)84(141)121-67-46-148-39-30-72(130)125-48-123(70(128)28-37-146-44-65(119-74(131)55(93)19-10-31-105-88(95)96)83(140)116-62(41-52-16-6-5-7-17-52)80(137)111-58(76(133)117-63)22-12-33-107-90(99)100)47-124(49-125)71(129)29-38-147-45-66(81(138)113-59(23-13-34-108-91(101)102)77(134)118-64(87(144)145)42-53-43-110-56-20-9-8-18-54(53)56)120-78(135)60(24-14-35-109-92(103)104)115-85(142)73(51(3)4)122-79(136)61(26-27-69(94)127)114-75(132)57(112-82(67)139)21-11-32-106-89(97)98/h5-9,16-18,20,43,50-51,55,57-68,73,110H,10-15,19,21-42,44-49,93H2,1-4H3,(H2,94,127)(H,111,137)(H,112,139)(H,113,138)(H,114,132)(H,115,142)(H,116,140)(H,117,133)(H,118,134)(H,119,131)(H,120,135)(H,121,141)(H,122,136)(H,144,145)(H4,95,96,105)(H4,97,98,106)(H4,99,100,107)(H4,101,102,108)(H4,103,104,109)/t55-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,73-/m0/s1 | PDB
UniProtKB/SwissProt
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| CHEMBL
PC cid
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UniChem
Similars
| Article
PubMed
| 326 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ecole Polytechnique F�d�rale de Lausanne (EPFL)
Curated by ChEMBL
| Assay Description
Inhibition of human beta factor 12a using fluorogenic substrate Boc-Gln-Gly-Arg-AMC preincubated for 10 mins followed by addition of substrate measur... |
J Med Chem 60: 1151-1158 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01548
BindingDB Entry DOI: 10.7270/Q26D5W8V |
More data for this
Ligand-Target Pair | |
Coagulation factor XII
(Homo sapiens (Human)) | BDBM50229991
(CHEMBL4068630)Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O)C(=O)CCSC[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N2 |r| Show InChI InChI=1S/C76H126N28O17S3/c1-42(2)33-51-66(114)91-48(17-10-27-89-75(83)84)64(112)99-54(69(117)95-50(72(120)121)18-11-28-90-76(85)86)37-123-31-23-59(107)102-39-101-40-103(41-102)60(108)24-32-124-38-55(68(116)93-46(15-8-25-87-73(79)80)62(110)94-49(65(113)97-51)20-21-57(78)105)100-70(118)56-19-12-29-104(56)71(119)53(34-43(3)4)98-63(111)47(16-9-26-88-74(81)82)92-67(115)52(35-44-13-6-5-7-14-44)96-61(109)45(77)36-122-30-22-58(101)106/h5-7,13-14,42-43,45-56H,8-12,15-41,77H2,1-4H3,(H2,78,105)(H,91,114)(H,92,115)(H,93,116)(H,94,110)(H,95,117)(H,96,109)(H,97,113)(H,98,111)(H,99,112)(H,100,118)(H,120,121)(H4,79,80,87)(H4,81,82,88)(H4,83,84,89)(H4,85,86,90)/t45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
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AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 330 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ecole Polytechnique F�d�rale de Lausanne (EPFL)
Curated by ChEMBL
| Assay Description
Inhibition of human beta factor 12a using fluorogenic substrate Boc-Gln-Gly-Arg-AMC preincubated for 10 mins followed by addition of substrate measur... |
J Med Chem 60: 1151-1158 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01548
BindingDB Entry DOI: 10.7270/Q26D5W8V |
More data for this
Ligand-Target Pair | |
Coagulation factor XII
(Homo sapiens (Human)) | BDBM50230017
(CHEMBL4084734)Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](CCc3ccccc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N3CCC[C@H]3C(=O)N2)C(=O)CCSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O |r| Show InChI InChI=1S/C94H150N34O19S3/c1-52(2)42-65-83(140)114-62(24-14-37-111-94(105)106)80(137)123-69(85(142)116-61(23-13-36-110-93(103)104)79(136)121-67(89(146)147)44-55-45-112-58-20-9-8-18-56(55)58)47-149-40-31-74(131)126-49-125-50-127(51-126)75(132)32-41-150-48-70(86(143)115-59(21-11-34-108-91(99)100)77(134)117-64(82(139)119-65)28-29-72(96)129)124-87(144)71-25-15-38-128(71)88(145)66(43-53(3)4)120-78(135)60(22-12-35-109-92(101)102)113-81(138)63(27-26-54-16-6-5-7-17-54)118-84(141)68(46-148-39-30-73(125)130)122-76(133)57(95)19-10-33-107-90(97)98/h5-9,16-18,20,45,52-53,57,59-71,112H,10-15,19,21-44,46-51,95H2,1-4H3,(H2,96,129)(H,113,138)(H,114,140)(H,115,143)(H,116,142)(H,117,134)(H,118,141)(H,119,139)(H,120,135)(H,121,136)(H,122,133)(H,123,137)(H,124,144)(H,146,147)(H4,97,98,107)(H4,99,100,108)(H4,101,102,109)(H4,103,104,110)(H4,105,106,111)/t57-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 366 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ecole Polytechnique F�d�rale de Lausanne (EPFL)
Curated by ChEMBL
| Assay Description
Inhibition of human beta factor 12a using fluorogenic substrate Boc-Gln-Gly-Arg-AMC preincubated for 10 mins followed by addition of substrate measur... |
J Med Chem 60: 1151-1158 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01548
BindingDB Entry DOI: 10.7270/Q26D5W8V |
More data for this
Ligand-Target Pair | |
Coagulation factor XII
(Homo sapiens (Human)) | BDBM50230026
(CHEMBL4090965)Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](Cc3ccc(NC(N)=N)cc3)C(=O)N[C@@H](CC(C)C)C(=O)N3CCC[C@H]3C(=O)N2)C(=O)CCSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O |r| Show InChI InChI=1S/C97H148N34O19S3/c1-53(2)41-66-84(141)116-64(22-13-36-113-96(106)107)82(139)126-72(87(144)118-63(21-12-35-112-95(104)105)81(138)124-70(92(149)150)45-57-46-114-61-19-9-8-17-59(57)61)48-152-39-31-77(134)129-50-128-51-130(52-129)78(135)32-40-153-49-73(88(145)117-62(20-11-34-111-94(102)103)80(137)119-65(83(140)120-66)28-29-75(99)132)127-90(147)74-23-14-37-131(74)91(148)69(42-54(3)4)123-86(143)68(44-56-24-26-58(27-25-56)115-97(108)109)121-85(142)67(43-55-15-6-5-7-16-55)122-89(146)71(47-151-38-30-76(128)133)125-79(136)60(98)18-10-33-110-93(100)101/h5-9,15-17,19,24-27,46,53-54,60,62-74,114H,10-14,18,20-23,28-45,47-52,98H2,1-4H3,(H2,99,132)(H,116,141)(H,117,145)(H,118,144)(H,119,137)(H,120,140)(H,121,142)(H,122,146)(H,123,143)(H,124,138)(H,125,136)(H,126,139)(H,127,147)(H,149,150)(H4,100,101,110)(H4,102,103,111)(H4,104,105,112)(H4,106,107,113)(H4,108,109,115)/t60-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 380 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ecole Polytechnique F�d�rale de Lausanne (EPFL)
Curated by ChEMBL
| Assay Description
Inhibition of human beta factor 12a using fluorogenic substrate Boc-Gln-Gly-Arg-AMC preincubated for 10 mins followed by addition of substrate measur... |
J Med Chem 60: 1151-1158 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01548
BindingDB Entry DOI: 10.7270/Q26D5W8V |
More data for this
Ligand-Target Pair | |
Coagulation factor XII
(Homo sapiens (Human)) | BDBM50229982
(CHEMBL4082929)Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N3CCC[C@H]3C(=O)N2)C(=O)CCSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O |r| Show InChI InChI=1S/C92H145N33O20S3/c1-50(2)38-61-79(136)110-60(24-14-33-108-92(102)103)78(135)120-67(82(139)113-59(23-13-32-107-91(100)101)77(134)118-65(87(144)145)41-53-43-109-56-20-9-8-18-54(53)56)45-147-36-27-71(127)123-47-122-48-124(49-123)72(128)28-37-148-46-68(83(140)112-57(21-11-30-105-89(96)97)75(132)116-63(42-73(129)130)81(138)114-61)121-85(142)69-25-15-34-125(69)86(143)64(39-51(3)4)117-76(133)58(22-12-31-106-90(98)99)111-80(137)62(40-52-16-6-5-7-17-52)115-84(141)66(44-146-35-26-70(122)126)119-74(131)55(93)19-10-29-104-88(94)95/h5-9,16-18,20,43,50-51,55,57-69,109H,10-15,19,21-42,44-49,93H2,1-4H3,(H,110,136)(H,111,137)(H,112,140)(H,113,139)(H,114,138)(H,115,141)(H,116,132)(H,117,133)(H,118,134)(H,119,131)(H,120,135)(H,121,142)(H,129,130)(H,144,145)(H4,94,95,104)(H4,96,97,105)(H4,98,99,106)(H4,100,101,107)(H4,102,103,108)/t55-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 550 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ecole Polytechnique F�d�rale de Lausanne (EPFL)
Curated by ChEMBL
| Assay Description
Inhibition of human beta factor 12a using fluorogenic substrate Boc-Gln-Gly-Arg-AMC preincubated for 10 mins followed by addition of substrate measur... |
J Med Chem 60: 1151-1158 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01548
BindingDB Entry DOI: 10.7270/Q26D5W8V |
More data for this
Ligand-Target Pair | |
Coagulation factor XII
(Homo sapiens (Human)) | BDBM50229887
(CHEMBL4068822)Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N3CCC[C@H]3C(=O)N2)C(=O)CCSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O |r| Show InChI InChI=1S/C92H146N34O19S3/c1-50(2)40-62-80(137)111-59(23-13-34-108-91(101)102)77(134)120-66(82(139)114-58(22-12-33-107-90(99)100)76(133)118-64(87(144)145)42-53-43-110-56-20-9-8-18-54(53)56)45-147-38-29-71(129)124-47-123-48-125(49-124)72(130)30-39-148-46-67(83(140)113-57(21-11-32-106-89(97)98)75(132)115-61(78(135)116-62)26-27-69(94)127)121-85(142)68-25-15-36-126(68)86(143)73(51(3)4)122-79(136)60(24-14-35-109-92(103)104)112-81(138)63(41-52-16-6-5-7-17-52)117-84(141)65(44-146-37-28-70(123)128)119-74(131)55(93)19-10-31-105-88(95)96/h5-9,16-18,20,43,50-51,55,57-68,73,110H,10-15,19,21-42,44-49,93H2,1-4H3,(H2,94,127)(H,111,137)(H,112,138)(H,113,140)(H,114,139)(H,115,132)(H,116,135)(H,117,141)(H,118,133)(H,119,131)(H,120,134)(H,121,142)(H,122,136)(H,144,145)(H4,95,96,105)(H4,97,98,106)(H4,99,100,107)(H4,101,102,108)(H4,103,104,109)/t55-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,73-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 570 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ecole Polytechnique F�d�rale de Lausanne (EPFL)
Curated by ChEMBL
| Assay Description
Inhibition of human beta factor 12a using fluorogenic substrate Boc-Gln-Gly-Arg-AMC preincubated for 10 mins followed by addition of substrate measur... |
J Med Chem 60: 1151-1158 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01548
BindingDB Entry DOI: 10.7270/Q26D5W8V |
More data for this
Ligand-Target Pair | |
Coagulation factor XII
(Homo sapiens (Human)) | BDBM50229888
(CHEMBL4082052)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CSCCC(=O)N2CN3CN(C2)C(=O)CCSC[C@H](NC(=O)[C@@H]2CCCN2C1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CSCCC3=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O)NC(=O)[C@@H](N)CCCNC(N)=N |r| Show InChI InChI=1S/C93H148N34O19S3/c1-5-52(4)74-87(144)127-37-16-26-69(127)86(143)122-68-47-149-40-31-73(131)126-49-124(71(129)29-38-147-45-66(120-75(132)56(94)20-11-32-106-89(96)97)85(142)118-64(42-53-17-7-6-8-18-53)82(139)113-61(80(137)123-74)25-15-36-110-93(104)105)48-125(50-126)72(130)30-39-148-46-67(83(140)115-59(23-13-34-108-91(100)101)77(134)119-65(88(145)146)43-54-44-111-57-21-10-9-19-55(54)57)121-78(135)60(24-14-35-109-92(102)103)112-81(138)63(41-51(2)3)117-79(136)62(27-28-70(95)128)116-76(133)58(114-84(68)141)22-12-33-107-90(98)99/h6-10,17-19,21,44,51-52,56,58-69,74,111H,5,11-16,20,22-43,45-50,94H2,1-4H3,(H2,95,128)(H,112,138)(H,113,139)(H,114,141)(H,115,140)(H,116,133)(H,117,136)(H,118,142)(H,119,134)(H,120,132)(H,121,135)(H,122,143)(H,123,137)(H,145,146)(H4,96,97,106)(H4,98,99,107)(H4,100,101,108)(H4,102,103,109)(H4,104,105,110)/t52-,56-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,74-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 890 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ecole Polytechnique F�d�rale de Lausanne (EPFL)
Curated by ChEMBL
| Assay Description
Inhibition of human beta factor 12a using fluorogenic substrate Boc-Gln-Gly-Arg-AMC preincubated for 10 mins followed by addition of substrate measur... |
J Med Chem 60: 1151-1158 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01548
BindingDB Entry DOI: 10.7270/Q26D5W8V |
More data for this
Ligand-Target Pair | |
Coagulation factor XII
(Homo sapiens (Human)) | BDBM50229741
(CHEMBL4063076)Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](Cc3ccc(cc3)C(C)(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N3CCC[C@H]3C(=O)N2)C(=O)CCSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O |r| Show InChI InChI=1S/C97H156N34O19S3/c1-53(2)42-66-84(142)116-64(22-14-37-114-96(108)109)82(140)126-71(86(144)119-63(21-13-36-113-95(106)107)81(139)124-69(91(149)150)45-56-46-115-60-18-9-8-16-58(56)60)48-152-40-31-76(134)129-50-128-51-130(52-129)77(135)32-41-153-49-72(87(145)118-61(19-11-34-111-93(102)103)79(137)120-65(83(141)121-66)28-29-74(99)132)127-89(147)73-23-15-38-131(73)90(148)68(43-54(3)4)123-80(138)62(20-12-35-112-94(104)105)117-85(143)67(44-55-24-26-57(27-25-55)97(5,6)7)122-88(146)70(47-151-39-30-75(128)133)125-78(136)59(98)17-10-33-110-92(100)101/h8-9,16,18,24-27,46,53-54,59,61-73,115H,10-15,17,19-23,28-45,47-52,98H2,1-7H3,(H2,99,132)(H,116,142)(H,117,143)(H,118,145)(H,119,144)(H,120,137)(H,121,141)(H,122,146)(H,123,138)(H,124,139)(H,125,136)(H,126,140)(H,127,147)(H,149,150)(H4,100,101,110)(H4,102,103,111)(H4,104,105,112)(H4,106,107,113)(H4,108,109,114)/t59-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ecole Polytechnique F�d�rale de Lausanne (EPFL)
Curated by ChEMBL
| Assay Description
Inhibition of human beta factor 12a using fluorogenic substrate Boc-Gln-Gly-Arg-AMC preincubated for 10 mins followed by addition of substrate measur... |
J Med Chem 60: 1151-1158 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01548
BindingDB Entry DOI: 10.7270/Q26D5W8V |
More data for this
Ligand-Target Pair | |
Coagulation factor XII
(Homo sapiens (Human)) | BDBM50229983
(CHEMBL4091636)Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N3CCC[C@H]3C(=O)N2)C(=O)CCSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O |r| Show InChI InChI=1S/C92H146N34O19S3/c1-50(2)38-61-79(136)111-60(24-14-33-109-92(103)104)78(135)121-67(82(139)114-59(23-13-32-108-91(101)102)77(134)119-65(87(144)145)41-53-43-110-56-20-9-8-18-54(53)56)45-147-36-27-72(129)124-47-123-48-125(49-124)73(130)28-37-148-46-68(83(140)113-57(21-11-30-106-89(97)98)75(132)117-63(42-70(94)127)81(138)115-61)122-85(142)69-25-15-34-126(69)86(143)64(39-51(3)4)118-76(133)58(22-12-31-107-90(99)100)112-80(137)62(40-52-16-6-5-7-17-52)116-84(141)66(44-146-35-26-71(123)128)120-74(131)55(93)19-10-29-105-88(95)96/h5-9,16-18,20,43,50-51,55,57-69,110H,10-15,19,21-42,44-49,93H2,1-4H3,(H2,94,127)(H,111,136)(H,112,137)(H,113,140)(H,114,139)(H,115,138)(H,116,141)(H,117,132)(H,118,133)(H,119,134)(H,120,131)(H,121,135)(H,122,142)(H,144,145)(H4,95,96,105)(H4,97,98,106)(H4,99,100,107)(H4,101,102,108)(H4,103,104,109)/t55-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ecole Polytechnique F�d�rale de Lausanne (EPFL)
Curated by ChEMBL
| Assay Description
Inhibition of human beta factor 12a using fluorogenic substrate Boc-Gln-Gly-Arg-AMC preincubated for 10 mins followed by addition of substrate measur... |
J Med Chem 60: 1151-1158 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01548
BindingDB Entry DOI: 10.7270/Q26D5W8V |
More data for this
Ligand-Target Pair | |
Coagulation factor XII
(Homo sapiens (Human)) | BDBM50229742
(CHEMBL4092485)Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](Cc3ccc(cc3)-c3ccccc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N3CCC[C@H]3C(=O)N2)C(=O)CCSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O |r| Show InChI InChI=1S/C99H152N34O19S3/c1-55(2)44-69-87(144)118-67(24-14-39-116-99(110)111)85(142)128-74(89(146)121-66(23-13-38-115-98(108)109)84(141)126-72(94(151)152)47-60-48-117-63-20-9-8-18-61(60)63)50-154-42-33-79(136)131-52-130-53-132(54-131)80(137)34-43-155-51-75(90(147)120-64(21-11-36-113-96(104)105)82(139)122-68(86(143)123-69)30-31-77(101)134)129-92(149)76-25-15-40-133(76)93(150)71(45-56(3)4)125-83(140)65(22-12-37-114-97(106)107)119-88(145)70(46-57-26-28-59(29-27-57)58-16-6-5-7-17-58)124-91(148)73(49-153-41-32-78(130)135)127-81(138)62(100)19-10-35-112-95(102)103/h5-9,16-18,20,26-29,48,55-56,62,64-76,117H,10-15,19,21-25,30-47,49-54,100H2,1-4H3,(H2,101,134)(H,118,144)(H,119,145)(H,120,147)(H,121,146)(H,122,139)(H,123,143)(H,124,148)(H,125,140)(H,126,141)(H,127,138)(H,128,142)(H,129,149)(H,151,152)(H4,102,103,112)(H4,104,105,113)(H4,106,107,114)(H4,108,109,115)(H4,110,111,116)/t62-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ecole Polytechnique F�d�rale de Lausanne (EPFL)
Curated by ChEMBL
| Assay Description
Inhibition of human beta factor 12a using fluorogenic substrate Boc-Gln-Gly-Arg-AMC preincubated for 10 mins followed by addition of substrate measur... |
J Med Chem 60: 1151-1158 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01548
BindingDB Entry DOI: 10.7270/Q26D5W8V |
More data for this
Ligand-Target Pair | |
Coagulation factor XII
(Homo sapiens (Human)) | BDBM50229739
(CHEMBL4074440)Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CSCCC(=O)N2CN3CN(C2)C(=O)CCSC[C@H](NC(=O)[C@@H]2CCCN2C1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CSCCC3=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O)NC(=O)[C@@H](N)CCCNC(N)=N |r| Show InChI InChI=1S/C90H142N34O19S3/c1-49(2)39-62-84(141)124-35-14-24-67(124)83(140)120-66-45-146-38-29-71(128)123-47-121(69(126)27-36-144-43-64(118-73(130)54(91)18-9-30-103-86(93)94)82(139)115-61(40-51-15-5-4-6-16-51)79(136)111-58(76(133)116-62)22-12-33-106-89(99)100)46-122(48-123)70(127)28-37-145-44-65(80(137)113-59(23-13-34-107-90(101)102)77(134)117-63(85(142)143)41-52-42-108-55-19-8-7-17-53(52)55)119-78(135)56(20-10-31-104-87(95)96)110-72(129)50(3)109-74(131)60(25-26-68(92)125)114-75(132)57(112-81(66)138)21-11-32-105-88(97)98/h4-8,15-17,19,42,49-50,54,56-67,108H,9-14,18,20-41,43-48,91H2,1-3H3,(H2,92,125)(H,109,131)(H,110,129)(H,111,136)(H,112,138)(H,113,137)(H,114,132)(H,115,139)(H,116,133)(H,117,134)(H,118,130)(H,119,135)(H,120,140)(H,142,143)(H4,93,94,103)(H4,95,96,104)(H4,97,98,105)(H4,99,100,106)(H4,101,102,107)/t50-,54-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.04E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ecole Polytechnique F�d�rale de Lausanne (EPFL)
Curated by ChEMBL
| Assay Description
Inhibition of human beta factor 12a using fluorogenic substrate Boc-Gln-Gly-Arg-AMC preincubated for 10 mins followed by addition of substrate measur... |
J Med Chem 60: 1151-1158 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01548
BindingDB Entry DOI: 10.7270/Q26D5W8V |
More data for this
Ligand-Target Pair | |
Coagulation factor XII
(Homo sapiens (Human)) | BDBM50229750
(CHEMBL4098701)Show SMILES CC(C)CC[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CSCCC(=O)N2CN3CN(C2)C(=O)CCSC[C@H](NC(=O)[C@@H]2CCCN2C1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CSCCC3=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O)NC(=O)[C@@H](N)CCCNC(N)=N |r| Show InChI InChI=1S/C94H150N34O19S3/c1-52(2)26-27-64-88(145)128-38-15-25-71(128)87(144)124-70-48-150-41-32-75(132)127-50-125(73(130)30-39-148-46-68(122-76(133)57(95)19-10-33-107-90(97)98)86(143)120-66(43-54-16-6-5-7-17-54)83(140)114-60(78(135)118-64)22-12-35-109-92(101)102)49-126(51-127)74(131)31-40-149-47-69(84(141)116-61(23-13-36-110-93(103)104)79(136)121-67(89(146)147)44-55-45-112-58-20-9-8-18-56(55)58)123-80(137)62(24-14-37-111-94(105)106)113-82(139)65(42-53(3)4)119-81(138)63(28-29-72(96)129)117-77(134)59(115-85(70)142)21-11-34-108-91(99)100/h5-9,16-18,20,45,52-53,57,59-71,112H,10-15,19,21-44,46-51,95H2,1-4H3,(H2,96,129)(H,113,139)(H,114,140)(H,115,142)(H,116,141)(H,117,134)(H,118,135)(H,119,138)(H,120,143)(H,121,136)(H,122,133)(H,123,137)(H,124,144)(H,146,147)(H4,97,98,107)(H4,99,100,108)(H4,101,102,109)(H4,103,104,110)(H4,105,106,111)/t57-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ecole Polytechnique F�d�rale de Lausanne (EPFL)
Curated by ChEMBL
| Assay Description
Inhibition of human beta factor 12a using fluorogenic substrate Boc-Gln-Gly-Arg-AMC preincubated for 10 mins followed by addition of substrate measur... |
J Med Chem 60: 1151-1158 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01548
BindingDB Entry DOI: 10.7270/Q26D5W8V |
More data for this
Ligand-Target Pair | |
Coagulation factor XII
(Homo sapiens (Human)) | BDBM50229988
(CHEMBL4063854)Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N3CCC[C@H]3C(=O)N2)C(=O)CCSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O |r| Show InChI InChI=1S/C93H147N33O20S3/c1-51(2)40-63-81(138)111-61(24-14-35-109-93(103)104)79(136)121-68(83(140)114-60(23-13-34-108-92(101)102)78(135)119-66(88(145)146)43-54-44-110-57-20-9-8-18-55(54)57)46-148-38-29-72(128)124-48-123-49-125(50-124)73(129)30-39-149-47-69(84(141)113-58(21-11-32-106-90(97)98)76(133)115-62(80(137)116-63)26-27-74(130)131)122-86(143)70-25-15-36-126(70)87(144)65(41-52(3)4)118-77(134)59(22-12-33-107-91(99)100)112-82(139)64(42-53-16-6-5-7-17-53)117-85(142)67(45-147-37-28-71(123)127)120-75(132)56(94)19-10-31-105-89(95)96/h5-9,16-18,20,44,51-52,56,58-70,110H,10-15,19,21-43,45-50,94H2,1-4H3,(H,111,138)(H,112,139)(H,113,141)(H,114,140)(H,115,133)(H,116,137)(H,117,142)(H,118,134)(H,119,135)(H,120,132)(H,121,136)(H,122,143)(H,130,131)(H,145,146)(H4,95,96,105)(H4,97,98,106)(H4,99,100,107)(H4,101,102,108)(H4,103,104,109)/t56-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| >3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ecole Polytechnique F�d�rale de Lausanne (EPFL)
Curated by ChEMBL
| Assay Description
Inhibition of human beta factor 12a using fluorogenic substrate Boc-Gln-Gly-Arg-AMC preincubated for 10 mins followed by addition of substrate measur... |
J Med Chem 60: 1151-1158 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01548
BindingDB Entry DOI: 10.7270/Q26D5W8V |
More data for this
Ligand-Target Pair | |
Coagulation factor XII
(Homo sapiens (Human)) | BDBM50229999
(CHEMBL4086594)Show SMILES CCCC[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CSCCC(=O)N2CN3CN(C2)C(=O)CCSC[C@H](NC(=O)[C@@H]2CCCN2C1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CSCCC3=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O)NC(=O)[C@@H](N)CCCNC(N)=N |r| Show InChI InChI=1S/C93H148N34O19S3/c1-4-5-21-63-87(144)127-38-16-27-70(127)86(143)123-69-48-149-41-32-74(131)126-50-124(72(129)30-39-147-46-67(121-75(132)56(94)20-11-33-106-89(96)97)85(142)119-65(43-53-17-7-6-8-18-53)82(139)113-59(77(134)117-63)24-13-35-108-91(100)101)49-125(51-126)73(130)31-40-148-47-68(83(140)115-60(25-14-36-109-92(102)103)78(135)120-66(88(145)146)44-54-45-111-57-22-10-9-19-55(54)57)122-79(136)61(26-15-37-110-93(104)105)112-81(138)64(42-52(2)3)118-80(137)62(28-29-71(95)128)116-76(133)58(114-84(69)141)23-12-34-107-90(98)99/h6-10,17-19,22,45,52,56,58-70,111H,4-5,11-16,20-21,23-44,46-51,94H2,1-3H3,(H2,95,128)(H,112,138)(H,113,139)(H,114,141)(H,115,140)(H,116,133)(H,117,134)(H,118,137)(H,119,142)(H,120,135)(H,121,132)(H,122,136)(H,123,143)(H,145,146)(H4,96,97,106)(H4,98,99,107)(H4,100,101,108)(H4,102,103,109)(H4,104,105,110)/t56-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| >3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ecole Polytechnique F�d�rale de Lausanne (EPFL)
Curated by ChEMBL
| Assay Description
Inhibition of human beta factor 12a using fluorogenic substrate Boc-Gln-Gly-Arg-AMC preincubated for 10 mins followed by addition of substrate measur... |
J Med Chem 60: 1151-1158 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01548
BindingDB Entry DOI: 10.7270/Q26D5W8V |
More data for this
Ligand-Target Pair | |
Coagulation factor XII
(Homo sapiens (Human)) | BDBM50229751
(CHEMBL4065158)Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)(C)C)C(=O)N3CCC[C@H]3C(=O)N2)C(=O)CCSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O |r| Show InChI InChI=1S/C94H150N34O19S3/c1-52(2)41-63-81(139)113-61(25-15-36-111-93(105)106)79(137)123-68(83(141)116-59(23-13-34-109-91(101)102)77(135)120-65(88(146)147)43-54-45-112-57-21-10-9-19-55(54)57)47-149-39-30-73(131)126-49-125-50-127(51-126)74(132)31-40-150-48-69(84(142)115-58(22-12-33-108-90(99)100)76(134)117-62(80(138)118-63)27-28-71(96)129)124-86(144)70-26-16-37-128(70)87(145)66(44-94(3,4)5)121-78(136)60(24-14-35-110-92(103)104)114-82(140)64(42-53-17-7-6-8-18-53)119-85(143)67(46-148-38-29-72(125)130)122-75(133)56(95)20-11-32-107-89(97)98/h6-10,17-19,21,45,52,56,58-70,112H,11-16,20,22-44,46-51,95H2,1-5H3,(H2,96,129)(H,113,139)(H,114,140)(H,115,142)(H,116,141)(H,117,134)(H,118,138)(H,119,143)(H,120,135)(H,121,136)(H,122,133)(H,123,137)(H,124,144)(H,146,147)(H4,97,98,107)(H4,99,100,108)(H4,101,102,109)(H4,103,104,110)(H4,105,106,111)/t56-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ecole Polytechnique F�d�rale de Lausanne (EPFL)
Curated by ChEMBL
| Assay Description
Inhibition of human beta factor 12a using fluorogenic substrate Boc-Gln-Gly-Arg-AMC preincubated for 10 mins followed by addition of substrate measur... |
J Med Chem 60: 1151-1158 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01548
BindingDB Entry DOI: 10.7270/Q26D5W8V |
More data for this
Ligand-Target Pair | |
Coagulation factor XII
(Homo sapiens (Human)) | BDBM50229975
(CHEMBL4071520)Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N3CCC[C@H]3C(=O)N2)C(=O)CCSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O |r| Show InChI InChI=1S/C90H142N34O19S3/c1-49(2)39-61-78(135)111-59(23-13-34-107-90(101)102)76(133)119-65(80(137)113-58(22-12-33-106-89(99)100)75(132)117-63(85(142)143)41-52-42-108-55-19-8-7-17-53(52)55)44-145-37-28-70(127)122-46-121-47-123(48-122)71(128)29-38-146-45-66(81(138)112-57(21-11-32-105-88(97)98)74(131)114-60(77(134)115-61)25-26-68(92)125)120-83(140)67-24-14-35-124(67)84(141)50(3)109-73(130)56(20-10-31-104-87(95)96)110-79(136)62(40-51-15-5-4-6-16-51)116-82(139)64(43-144-36-27-69(121)126)118-72(129)54(91)18-9-30-103-86(93)94/h4-8,15-17,19,42,49-50,54,56-67,108H,9-14,18,20-41,43-48,91H2,1-3H3,(H2,92,125)(H,109,130)(H,110,136)(H,111,135)(H,112,138)(H,113,137)(H,114,131)(H,115,134)(H,116,139)(H,117,132)(H,118,129)(H,119,133)(H,120,140)(H,142,143)(H4,93,94,103)(H4,95,96,104)(H4,97,98,105)(H4,99,100,106)(H4,101,102,107)/t50-,54-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ecole Polytechnique F�d�rale de Lausanne (EPFL)
Curated by ChEMBL
| Assay Description
Inhibition of human beta factor 12a using fluorogenic substrate Boc-Gln-Gly-Arg-AMC preincubated for 10 mins followed by addition of substrate measur... |
J Med Chem 60: 1151-1158 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01548
BindingDB Entry DOI: 10.7270/Q26D5W8V |
More data for this
Ligand-Target Pair | |
Coagulation factor XII
(Homo sapiens (Human)) | BDBM50229984
(CHEMBL4103767)Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N3CCC[C@H]3C(=O)N2)C(=O)CCSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O |r| Show InChI InChI=1S/C94H147N35O18S3/c1-52(2)38-64-81(138)114-63(24-14-33-111-94(104)105)80(137)124-70(84(141)117-62(23-13-32-110-93(102)103)79(136)122-68(89(146)147)41-55-43-112-59-20-9-8-18-57(55)59)46-149-36-27-74(131)127-49-126-50-128(51-127)75(132)28-37-150-47-71(85(142)116-60(21-11-30-108-91(98)99)77(134)120-66(83(140)118-64)42-56-44-106-48-113-56)125-87(144)72-25-15-34-129(72)88(145)67(39-53(3)4)121-78(135)61(22-12-31-109-92(100)101)115-82(139)65(40-54-16-6-5-7-17-54)119-86(143)69(45-148-35-26-73(126)130)123-76(133)58(95)19-10-29-107-90(96)97/h5-9,16-18,20,43-44,48,52-53,58,60-72,112H,10-15,19,21-42,45-47,49-51,95H2,1-4H3,(H,106,113)(H,114,138)(H,115,139)(H,116,142)(H,117,141)(H,118,140)(H,119,143)(H,120,134)(H,121,135)(H,122,136)(H,123,133)(H,124,137)(H,125,144)(H,146,147)(H4,96,97,107)(H4,98,99,108)(H4,100,101,109)(H4,102,103,110)(H4,104,105,111)/t58-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ecole Polytechnique F�d�rale de Lausanne (EPFL)
Curated by ChEMBL
| Assay Description
Inhibition of human beta factor 12a using fluorogenic substrate Boc-Gln-Gly-Arg-AMC preincubated for 10 mins followed by addition of substrate measur... |
J Med Chem 60: 1151-1158 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01548
BindingDB Entry DOI: 10.7270/Q26D5W8V |
More data for this
Ligand-Target Pair | |
Coagulation factor XII
(Homo sapiens (Human)) | BDBM50230016
(CHEMBL4060168)Show SMILES CSCC[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CSCCC(=O)N2CN3CN(C2)C(=O)CCSC[C@H](NC(=O)[C@@H]2CCCN2C1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CSCCC3=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O)NC(=O)[C@@H](N)CCCNC(N)=N |r| Show InChI InChI=1S/C92H146N34O19S4/c1-51(2)41-63-80(137)111-60(23-13-35-109-92(103)104)78(135)121-67(82(139)114-59(22-12-34-108-91(101)102)77(134)119-65(87(144)145)43-53-44-110-56-19-8-7-17-54(53)56)46-148-39-29-72(129)124-48-123-49-125(50-124)73(130)30-40-149-47-68(83(140)113-57(20-10-32-106-89(97)98)75(132)115-61(79(136)117-63)25-26-70(94)127)122-85(142)69-24-14-36-126(69)86(143)62(27-37-146-3)116-76(133)58(21-11-33-107-90(99)100)112-81(138)64(42-52-15-5-4-6-16-52)118-84(141)66(45-147-38-28-71(123)128)120-74(131)55(93)18-9-31-105-88(95)96/h4-8,15-17,19,44,51,55,57-69,110H,9-14,18,20-43,45-50,93H2,1-3H3,(H2,94,127)(H,111,137)(H,112,138)(H,113,140)(H,114,139)(H,115,132)(H,116,133)(H,117,136)(H,118,141)(H,119,134)(H,120,131)(H,121,135)(H,122,142)(H,144,145)(H4,95,96,105)(H4,97,98,106)(H4,99,100,107)(H4,101,102,108)(H4,103,104,109)/t55-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
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| CHEMBL
PC cid
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PubMed
| >3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ecole Polytechnique F�d�rale de Lausanne (EPFL)
Curated by ChEMBL
| Assay Description
Inhibition of human beta factor 12a using fluorogenic substrate Boc-Gln-Gly-Arg-AMC preincubated for 10 mins followed by addition of substrate measur... |
J Med Chem 60: 1151-1158 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01548
BindingDB Entry DOI: 10.7270/Q26D5W8V |
More data for this
Ligand-Target Pair | |
Plasma kallikrein
(Homo sapiens (Human)) | BDBM50229738
(CHEMBL4087027)Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(=O)[C@@H](N)CCNC(N)=N)C(=O)N[C@@H](Cc3ccc(F)cc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N3CCC[C@H]3C(=O)N2)C(=O)CCSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r| Show InChI InChI=1S/C81H135FN32O18S3/c1-43(2)34-53-69(124)100-50(12-7-27-97-79(89)90)67(122)109-57(72(127)104-52(76(131)132)13-8-28-98-80(91)92)38-134-32-23-62(117)112-40-111-41-113(42-112)63(118)24-33-135-39-58(71(126)102-48(10-5-25-95-77(85)86)65(120)103-51(68(123)105-53)19-20-60(84)115)110-74(129)59-14-9-30-114(59)75(130)55(35-44(3)4)107-66(121)49(11-6-26-96-78(87)88)101-70(125)54(36-45-15-17-46(82)18-16-45)106-73(128)56(37-133-31-22-61(111)116)108-64(119)47(83)21-29-99-81(93)94/h15-18,43-44,47-59H,5-14,19-42,83H2,1-4H3,(H2,84,115)(H,100,124)(H,101,125)(H,102,126)(H,103,120)(H,104,127)(H,105,123)(H,106,128)(H,107,121)(H,108,119)(H,109,122)(H,110,129)(H,131,132)(H4,85,86,95)(H4,87,88,96)(H4,89,90,97)(H4,91,92,98)(H4,93,94,99)/t47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-/m0/s1 | PDB
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| CHEMBL
KEGG
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PubMed
| 4.51E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ecole Polytechnique F�d�rale de Lausanne (EPFL)
Curated by ChEMBL
| Assay Description
Inhibition of human plasma kallikrein using fluorogenic substrate Z-Phe-Arg-AMC |
J Med Chem 60: 1151-1158 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01548
BindingDB Entry DOI: 10.7270/Q26D5W8V |
More data for this
Ligand-Target Pair | |
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