Found 13 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 VII
(Homo sapiens (Human)) | BDBM50119052
(Biotinylated E-76 peptide analogue | CHEMBL269354)Show SMILES CC[C@H](C)[C@H]1NC(=O)[C@H](CCC[N-]C(N)=[NH2+])NC(=O)[C@H]2CCCN2C(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@@H](CSSC[C@@H](NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC1=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)NCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)c1ccc(o1)-c1ccccc1[N+]([O-])=O Show InChI InChI=1S/C107H145N29O31S2/c1-8-54(6)87-104(163)129-72(47-85(145)146)96(155)120-63(24-16-38-115-106(111)112)90(149)127-70(44-58-48-117-62-23-14-12-21-60(58)62)95(154)126-68(43-57-28-30-59(137)31-29-57)94(153)132-74(99(158)121-66(32-36-80(108)138)91(150)125-69(42-56-19-10-9-11-20-56)98(157)133-86(53(4)5)103(162)123-65(33-37-83(141)142)89(148)118-49-82(110)140)50-168-169-51-75(131-93(152)67(41-52(2)3)124-88(147)55(7)119-102(161)79-35-34-78(167-79)61-22-13-15-26-76(61)136(165)166)100(159)128-71(46-84(143)144)97(156)130-73(45-81(109)139)105(164)135-40-18-27-77(135)101(160)122-64(92(151)134-87)25-17-39-116-107(113)114/h9-15,19-23,26,28-31,34-35,48,52-55,63-75,77,86-87,117H,8,16-18,24-25,27,32-33,36-47,49-51H2,1-7H3,(H35,108,109,110,111,112,113,114,115,116,118,119,120,121,122,123,124,125,126,127,128,129,130,131,132,133,134,137,138,139,140,141,142,143,144,145,146,147,148,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163)/t54-,55-,63+,64-,65-,66-,67-,68+,69-,70-,71+,72-,73-,74+,75+,77+,86-,87+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of amino terminally biotinylated E-76 peptide binding to immobilized fVIIa |
Bioorg Med Chem Lett 12: 2883-6 (2002)
BindingDB Entry DOI: 10.7270/Q25H7FMF |
More data for this
Ligand-Target Pair | |
Coagulation factor VII
(Homo sapiens (Human)) | BDBM50119057
(ALCDNPRIDRWYCQFVEG peptide analogue | Biotinylated...)Show SMILES CC[C@H](C)[C@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H]2CCCN2C(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@@H](CSSC[C@@H](NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC1=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)NCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)CCC(=O)NS(=O)(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C110H151N29O31S3/c1-8-57(6)91-107(167)132-77(50-89(150)151)100(160)123-68(25-16-40-118-109(114)115)94(154)130-75(47-63-51-120-67-24-15-14-23-66(63)67)99(159)129-73(45-60-28-31-64(140)32-29-60)98(158)135-79(103(163)124-71(34-36-82(111)141)95(155)128-74(44-59-19-10-9-11-20-59)102(162)136-90(56(4)5)106(166)126-70(35-39-87(146)147)93(153)121-52-84(113)143)53-171-172-54-80(134-97(157)72(43-55(2)3)127-92(152)58(7)122-85(144)37-38-86(145)138-173(169,170)65-33-30-61-21-12-13-22-62(61)46-65)104(164)131-76(49-88(148)149)101(161)133-78(48-83(112)142)108(168)139-42-18-27-81(139)105(165)125-69(96(156)137-91)26-17-41-119-110(116)117/h9-15,19-24,28-33,46,51,55-58,68-81,90-91,120,140H,8,16-18,25-27,34-45,47-50,52-54H2,1-7H3,(H2,111,141)(H2,112,142)(H2,113,143)(H,121,153)(H,122,144)(H,123,160)(H,124,163)(H,125,165)(H,126,166)(H,127,152)(H,128,155)(H,129,159)(H,130,154)(H,131,164)(H,132,167)(H,133,161)(H,134,157)(H,135,158)(H,136,162)(H,137,156)(H,138,145)(H,146,147)(H,148,149)(H,150,151)(H4,114,115,118)(H4,116,117,119)/t57-,58-,68+,69-,70-,71-,72-,73+,74-,75-,76+,77-,78-,79+,80+,81+,90-,91+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of amino terminally biotinylated E-76 peptide binding to immobilized fVIIa |
Bioorg Med Chem Lett 12: 2883-6 (2002)
BindingDB Entry DOI: 10.7270/Q25H7FMF |
More data for this
Ligand-Target Pair | |
Coagulation factor VII
(Homo sapiens (Human)) | BDBM50119050
(ALCDNPRIDRWYCQFVEG peptide analogue | Biotinylated...)Show SMILES CC[C@H](C)[C@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H]2CCCN2C(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@@H](CSSC[C@@H](NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC1=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)NCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(C)=O Show InChI InChI=1S/C98H142N28O28S2/c1-9-49(6)79-95(153)120-67(42-77(136)137)88(146)111-58(22-15-33-106-97(102)103)82(140)118-65(39-54-43-108-57-21-14-13-20-56(54)57)87(145)117-63(38-53-25-27-55(128)28-26-53)86(144)123-69(91(149)112-61(29-31-72(99)129)83(141)116-64(37-52-18-11-10-12-19-52)90(148)124-78(48(4)5)94(152)114-60(30-32-75(132)133)81(139)109-44-74(101)131)45-155-156-46-70(122-85(143)62(36-47(2)3)115-80(138)50(7)110-51(8)127)92(150)119-66(41-76(134)135)89(147)121-68(40-73(100)130)96(154)126-35-17-24-71(126)93(151)113-59(84(142)125-79)23-16-34-107-98(104)105/h10-14,18-21,25-28,43,47-50,58-71,78-79,108,128H,9,15-17,22-24,29-42,44-46H2,1-8H3,(H2,99,129)(H2,100,130)(H2,101,131)(H,109,139)(H,110,127)(H,111,146)(H,112,149)(H,113,151)(H,114,152)(H,115,138)(H,116,141)(H,117,145)(H,118,140)(H,119,150)(H,120,153)(H,121,147)(H,122,143)(H,123,144)(H,124,148)(H,125,142)(H,132,133)(H,134,135)(H,136,137)(H4,102,103,106)(H4,104,105,107)/t49-,50-,58+,59-,60-,61-,62-,63+,64-,65-,66+,67-,68-,69+,70+,71+,78-,79+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of amino terminally biotinylated E-76 peptide binding to immobilized fVIIa |
Bioorg Med Chem Lett 12: 2883-6 (2002)
BindingDB Entry DOI: 10.7270/Q25H7FMF |
More data for this
Ligand-Target Pair | |
Coagulation factor VII
(Homo sapiens (Human)) | BDBM50119049
(Biotinylated E-76 peptide analogue | CHEMBL439285)Show SMILES CC[C@H](C)[C@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H]2CCCN2C(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@@H](CSSC[C@@H](NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC1=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)NCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NCc1cccc2ccccc12 Show InChI InChI=1S/C107H148N28O27S2/c1-8-56(6)88-104(161)129-76(48-86(144)145)97(154)120-67(28-17-39-115-106(111)112)91(148)127-74(45-62-50-118-66-27-15-14-26-65(62)66)96(153)126-72(44-59-31-33-63(136)34-32-59)95(152)132-78(100(157)121-70(35-37-81(108)137)92(149)125-73(43-58-20-10-9-11-21-58)99(156)133-87(55(4)5)103(160)123-69(36-38-84(140)141)90(147)119-51-83(110)139)52-163-164-53-79(131-94(151)71(42-54(2)3)124-89(146)57(7)117-49-61-24-16-23-60-22-12-13-25-64(60)61)101(158)128-75(47-85(142)143)98(155)130-77(46-82(109)138)105(162)135-41-19-30-80(135)102(159)122-68(93(150)134-88)29-18-40-116-107(113)114/h9-16,20-27,31-34,50,54-57,67-80,87-88,117-118,136H,8,17-19,28-30,35-49,51-53H2,1-7H3,(H2,108,137)(H2,109,138)(H2,110,139)(H,119,147)(H,120,154)(H,121,157)(H,122,159)(H,123,160)(H,124,146)(H,125,149)(H,126,153)(H,127,148)(H,128,158)(H,129,161)(H,130,155)(H,131,151)(H,132,152)(H,133,156)(H,134,150)(H,140,141)(H,142,143)(H,144,145)(H4,111,112,115)(H4,113,114,116)/t56-,57-,67+,68-,69-,70-,71-,72+,73-,74-,75+,76-,77-,78+,79+,80+,87-,88+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of amino terminally biotinylated E-76 peptide binding to immobilized fVIIa |
Bioorg Med Chem Lett 12: 2883-6 (2002)
BindingDB Entry DOI: 10.7270/Q25H7FMF |
More data for this
Ligand-Target Pair | |
Coagulation factor VII
(Homo sapiens (Human)) | BDBM50119048
(Biotinylated E-76 peptide analogue | CHEMBL437872)Show SMILES CC[C@H](C)[C@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H]2CCCN2C(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@@H](CSSC[C@@H](NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC1=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)NCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)Nc1cccc(C)c1 Show InChI InChI=1S/C104H147N29O28S2/c1-9-54(7)84-100(159)127-72(46-82(142)143)93(152)118-63(25-16-36-112-102(108)109)87(146)125-70(43-58-47-114-62-24-14-13-23-61(58)62)92(151)124-68(42-57-28-30-60(134)31-29-57)91(150)130-74(96(155)119-66(32-34-77(105)135)88(147)123-69(41-56-20-11-10-12-21-56)95(154)131-83(52(4)5)99(158)121-65(33-35-80(138)139)86(145)115-48-79(107)137)49-162-163-50-75(129-90(149)67(39-51(2)3)122-85(144)55(8)116-104(161)117-59-22-15-19-53(6)40-59)97(156)126-71(45-81(140)141)94(153)128-73(44-78(106)136)101(160)133-38-18-27-76(133)98(157)120-64(89(148)132-84)26-17-37-113-103(110)111/h10-15,19-24,28-31,40,47,51-52,54-55,63-76,83-84,114,134H,9,16-18,25-27,32-39,41-46,48-50H2,1-8H3,(H2,105,135)(H2,106,136)(H2,107,137)(H,115,145)(H,118,152)(H,119,155)(H,120,157)(H,121,158)(H,122,144)(H,123,147)(H,124,151)(H,125,146)(H,126,156)(H,127,159)(H,128,153)(H,129,149)(H,130,150)(H,131,154)(H,132,148)(H,138,139)(H,140,141)(H,142,143)(H4,108,109,112)(H4,110,111,113)(H2,116,117,161)/t54-,55-,63+,64-,65-,66-,67-,68+,69-,70-,71+,72-,73-,74+,75+,76+,83-,84+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of amino terminally biotinylated E-76 peptide binding to immobilized fVIIa |
Bioorg Med Chem Lett 12: 2883-6 (2002)
BindingDB Entry DOI: 10.7270/Q25H7FMF |
More data for this
Ligand-Target Pair | |
Coagulation factor VII
(Homo sapiens (Human)) | BDBM50119055
(Biotinylated E-76 peptide analogue | CHEMBL414777)Show SMILES CC[C@H](C)[C@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H]2CCCN2C(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@@H](CSSC[C@@H](NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC1=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)NCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)c1ccc2ccccc2n1 Show InChI InChI=1S/C106H145N29O28S2/c1-8-54(6)86-103(162)129-74(47-84(144)145)96(155)120-64(25-16-38-114-105(110)111)90(149)127-72(44-59-48-116-63-24-15-13-22-61(59)63)95(154)126-70(43-57-28-31-60(136)32-29-57)94(153)132-76(99(158)121-68(34-36-79(107)137)91(150)125-71(42-56-19-10-9-11-20-56)98(157)133-85(53(4)5)102(161)123-66(35-37-82(140)141)88(147)117-49-81(109)139)50-164-165-51-77(131-93(152)69(41-52(2)3)124-87(146)55(7)118-89(148)67-33-30-58-21-12-14-23-62(58)119-67)100(159)128-73(46-83(142)143)97(156)130-75(45-80(108)138)104(163)135-40-18-27-78(135)101(160)122-65(92(151)134-86)26-17-39-115-106(112)113/h9-15,19-24,28-33,48,52-55,64-66,68-78,85-86,116,136H,8,16-18,25-27,34-47,49-51H2,1-7H3,(H2,107,137)(H2,108,138)(H2,109,139)(H,117,147)(H,118,148)(H,120,155)(H,121,158)(H,122,160)(H,123,161)(H,124,146)(H,125,150)(H,126,154)(H,127,149)(H,128,159)(H,129,162)(H,130,156)(H,131,152)(H,132,153)(H,133,157)(H,134,151)(H,140,141)(H,142,143)(H,144,145)(H4,110,111,114)(H4,112,113,115)/t54-,55-,64+,65-,66-,68-,69-,70+,71-,72-,73+,74-,75-,76+,77+,78+,85-,86+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 2.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of amino terminally biotinylated E-76 peptide binding to immobilized fVIIa |
Bioorg Med Chem Lett 12: 2883-6 (2002)
BindingDB Entry DOI: 10.7270/Q25H7FMF |
More data for this
Ligand-Target Pair | |
Coagulation factor VII
(Homo sapiens (Human)) | BDBM50119056
(Biotinylated E-76 peptide analogue | CHEMBL439444)Show SMILES CC[C@H](C)[C@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H]2CCCN2C(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@@H](CSSC[C@@H](NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC1=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)NCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C109H148N28O28S2/c1-8-57(6)89-106(164)131-77(50-87(146)147)99(157)122-68(26-17-41-117-108(113)114)93(151)129-75(47-64-51-119-67-25-16-15-24-66(64)67)98(156)128-73(46-60-29-35-65(138)36-30-60)97(155)134-79(102(160)123-71(37-39-82(110)139)94(152)127-74(45-59-20-11-9-12-21-59)101(159)135-88(56(4)5)105(163)125-70(38-40-85(142)143)92(150)120-52-84(112)141)53-166-167-54-80(133-96(154)72(44-55(2)3)126-90(148)58(7)121-91(149)63-33-31-62(32-34-63)61-22-13-10-14-23-61)103(161)130-76(49-86(144)145)100(158)132-78(48-83(111)140)107(165)137-43-19-28-81(137)104(162)124-69(95(153)136-89)27-18-42-118-109(115)116/h9-16,20-25,29-36,51,55-58,68-81,88-89,119,138H,8,17-19,26-28,37-50,52-54H2,1-7H3,(H2,110,139)(H2,111,140)(H2,112,141)(H,120,150)(H,121,149)(H,122,157)(H,123,160)(H,124,162)(H,125,163)(H,126,148)(H,127,152)(H,128,156)(H,129,151)(H,130,161)(H,131,164)(H,132,158)(H,133,154)(H,134,155)(H,135,159)(H,136,153)(H,142,143)(H,144,145)(H,146,147)(H4,113,114,117)(H4,115,116,118)/t57-,58-,68+,69-,70-,71-,72-,73+,74-,75-,76+,77-,78-,79+,80+,81+,88-,89+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of amino terminally biotinylated E-76 peptide binding to immobilized fVIIa |
Bioorg Med Chem Lett 12: 2883-6 (2002)
BindingDB Entry DOI: 10.7270/Q25H7FMF |
More data for this
Ligand-Target Pair | |
Coagulation factor VII
(Homo sapiens (Human)) | BDBM50119047
(Biotinylated E-76 peptide analogue | CHEMBL441926)Show SMILES CC[C@H](C)[C@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H]2CCCN2C(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@@H](CSSC[C@@H](NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC1=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)NCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NS(=O)(=O)c1c(C)cc(C)cc1C Show InChI InChI=1S/C105H150N28O29S3/c1-11-54(7)85-102(159)126-73(46-83(142)143)95(152)117-64(24-17-35-113-104(109)110)89(146)124-71(43-60-47-115-63-23-16-15-22-62(60)63)94(151)123-69(42-59-27-29-61(134)30-28-59)93(150)129-75(98(155)118-67(31-33-78(106)135)90(147)122-70(41-58-20-13-12-14-21-58)97(154)130-84(52(4)5)101(158)120-66(32-34-81(138)139)88(145)116-48-80(108)137)49-163-164-50-76(128-92(149)68(38-51(2)3)121-87(144)57(10)132-165(161,162)86-55(8)39-53(6)40-56(86)9)99(156)125-72(45-82(140)141)96(153)127-74(44-79(107)136)103(160)133-37-19-26-77(133)100(157)119-65(91(148)131-85)25-18-36-114-105(111)112/h12-16,20-23,27-30,39-40,47,51-52,54,57,64-77,84-85,115,132,134H,11,17-19,24-26,31-38,41-46,48-50H2,1-10H3,(H2,106,135)(H2,107,136)(H2,108,137)(H,116,145)(H,117,152)(H,118,155)(H,119,157)(H,120,158)(H,121,144)(H,122,147)(H,123,151)(H,124,146)(H,125,156)(H,126,159)(H,127,153)(H,128,149)(H,129,150)(H,130,154)(H,131,148)(H,138,139)(H,140,141)(H,142,143)(H4,109,110,113)(H4,111,112,114)/t54-,57-,64+,65-,66-,67-,68-,69+,70-,71-,72+,73-,74-,75+,76+,77+,84-,85+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of amino terminally biotinylated E-76 peptide binding to immobilized fVIIa |
Bioorg Med Chem Lett 12: 2883-6 (2002)
BindingDB Entry DOI: 10.7270/Q25H7FMF |
More data for this
Ligand-Target Pair | |
Coagulation factor VII
(Homo sapiens (Human)) | BDBM50119053
(Biotinylated E-76 peptide analogue | CHEMBL415402)Show SMILES CC[C@H](C)[C@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H]2CCCN2C(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@@H](CSSC[C@@H](NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC1=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)NCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)c1cnc2ccccc2c1 Show InChI InChI=1S/C106H145N29O28S2/c1-8-54(6)86-103(162)129-74(46-84(144)145)96(155)120-65(25-16-36-114-105(110)111)90(149)127-72(43-59-47-117-64-24-15-13-22-62(59)64)95(154)126-70(41-57-28-30-61(136)31-29-57)94(153)132-76(99(158)121-68(32-34-79(107)137)91(150)125-71(40-56-19-10-9-11-20-56)98(157)133-85(53(4)5)102(161)123-67(33-35-82(140)141)89(148)118-49-81(109)139)50-164-165-51-77(131-93(152)69(39-52(2)3)124-87(146)55(7)119-88(147)60-42-58-21-12-14-23-63(58)116-48-60)100(159)128-73(45-83(142)143)97(156)130-75(44-80(108)138)104(163)135-38-18-27-78(135)101(160)122-66(92(151)134-86)26-17-37-115-106(112)113/h9-15,19-24,28-31,42,47-48,52-55,65-78,85-86,117,136H,8,16-18,25-27,32-41,43-46,49-51H2,1-7H3,(H2,107,137)(H2,108,138)(H2,109,139)(H,118,148)(H,119,147)(H,120,155)(H,121,158)(H,122,160)(H,123,161)(H,124,146)(H,125,150)(H,126,154)(H,127,149)(H,128,159)(H,129,162)(H,130,156)(H,131,152)(H,132,153)(H,133,157)(H,134,151)(H,140,141)(H,142,143)(H,144,145)(H4,110,111,114)(H4,112,113,115)/t54-,55-,65+,66-,67-,68-,69-,70+,71-,72-,73+,74-,75-,76+,77+,78+,85-,86+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of amino terminally biotinylated E-76 peptide binding to immobilized fVIIa |
Bioorg Med Chem Lett 12: 2883-6 (2002)
BindingDB Entry DOI: 10.7270/Q25H7FMF |
More data for this
Ligand-Target Pair | |
Coagulation factor VII
(Homo sapiens (Human)) | BDBM50119054
(Biotinylated E-76 peptide analogue | CHEMBL429011)Show SMILES CC[C@H](C)[C@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H]2CCCN2C(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@@H](CSSC[C@@H](NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC1=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)NCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)Nc1ccc(Cl)cc1 Show InChI InChI=1S/C103H144ClN29O28S2/c1-8-52(6)83-99(159)127-71(45-81(142)143)92(152)118-62(21-14-36-112-101(108)109)86(146)125-69(42-56-46-114-61-20-13-12-19-60(56)61)91(151)124-67(41-55-24-30-59(134)31-25-55)90(150)130-73(95(155)119-65(32-34-76(105)135)87(147)123-68(40-54-17-10-9-11-18-54)94(154)131-82(51(4)5)98(158)121-64(33-35-79(138)139)85(145)115-47-78(107)137)48-162-163-49-74(129-89(149)66(39-50(2)3)122-84(144)53(7)116-103(161)117-58-28-26-57(104)27-29-58)96(156)126-70(44-80(140)141)93(153)128-72(43-77(106)136)100(160)133-38-16-23-75(133)97(157)120-63(88(148)132-83)22-15-37-113-102(110)111/h9-13,17-20,24-31,46,50-53,62-75,82-83,114,134H,8,14-16,21-23,32-45,47-49H2,1-7H3,(H2,105,135)(H2,106,136)(H2,107,137)(H,115,145)(H,118,152)(H,119,155)(H,120,157)(H,121,158)(H,122,144)(H,123,147)(H,124,151)(H,125,146)(H,126,156)(H,127,159)(H,128,153)(H,129,149)(H,130,150)(H,131,154)(H,132,148)(H,138,139)(H,140,141)(H,142,143)(H4,108,109,112)(H4,110,111,113)(H2,116,117,161)/t52-,53-,62+,63-,64-,65-,66-,67+,68-,69-,70+,71-,72-,73+,74+,75+,82-,83+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of amino terminally biotinylated E-76 peptide binding to immobilized fVIIa |
Bioorg Med Chem Lett 12: 2883-6 (2002)
BindingDB Entry DOI: 10.7270/Q25H7FMF |
More data for this
Ligand-Target Pair | |
Coagulation factor VII
(Homo sapiens (Human)) | BDBM50119059
(Biotinylated E-76 peptide analogue | CHEMBL410836)Show SMILES CC[C@H](C)[C@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H]2CCCN2C(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@@H](CSSC[C@@H](NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC1=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)NCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NCc1ccccc1OC(F)(F)F Show InChI InChI=1S/C104H145F3N28O28S2/c1-8-53(6)84-100(161)129-71(45-82(144)145)93(154)120-62(24-16-36-115-102(111)112)87(148)127-69(42-58-47-118-61-23-14-13-22-60(58)61)92(153)126-67(41-56-28-30-59(136)31-29-56)91(152)132-73(96(157)121-65(32-34-77(108)137)88(149)125-68(40-55-19-10-9-11-20-55)95(156)133-83(52(4)5)99(160)123-64(33-35-80(140)141)86(147)119-48-79(110)139)49-164-165-50-74(131-90(151)66(39-51(2)3)124-85(146)54(7)117-46-57-21-12-15-27-76(57)163-104(105,106)107)97(158)128-70(44-81(142)143)94(155)130-72(43-78(109)138)101(162)135-38-18-26-75(135)98(159)122-63(89(150)134-84)25-17-37-116-103(113)114/h9-15,19-23,27-31,47,51-54,62-75,83-84,117-118,136H,8,16-18,24-26,32-46,48-50H2,1-7H3,(H2,108,137)(H2,109,138)(H2,110,139)(H,119,147)(H,120,154)(H,121,157)(H,122,159)(H,123,160)(H,124,146)(H,125,149)(H,126,153)(H,127,148)(H,128,158)(H,129,161)(H,130,155)(H,131,151)(H,132,152)(H,133,156)(H,134,150)(H,140,141)(H,142,143)(H,144,145)(H4,111,112,115)(H4,113,114,116)/t53-,54-,62+,63-,64-,65-,66-,67+,68-,69-,70+,71-,72-,73+,74+,75+,83-,84+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of amino terminally biotinylated E-76 peptide binding to immobilized fVIIa |
Bioorg Med Chem Lett 12: 2883-6 (2002)
BindingDB Entry DOI: 10.7270/Q25H7FMF |
More data for this
Ligand-Target Pair | |
Coagulation factor VII
(Homo sapiens (Human)) | BDBM50119051
(Biotinylated E-76 peptide analogue | CHEMBL415837)Show SMILES CC[C@H](C)[C@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H]2CCCN2C(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@@H](CSSC[C@@H](NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC1=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)NCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](C)c1ccc(CC(C)C)cc1 Show InChI InChI=1S/C109H156N28O28S2/c1-11-57(8)89-106(164)131-77(49-87(146)147)99(157)122-68(24-17-39-117-108(113)114)93(151)129-75(46-64-50-119-67-23-16-15-22-66(64)67)98(156)128-73(45-62-29-33-65(138)34-30-62)97(155)134-79(102(160)123-71(35-37-82(110)139)94(152)127-74(44-60-20-13-12-14-21-60)101(159)135-88(56(6)7)105(163)125-70(36-38-85(142)143)92(150)120-51-84(112)141)52-166-167-53-80(133-96(154)72(43-55(4)5)126-91(149)59(10)121-90(148)58(9)63-31-27-61(28-32-63)42-54(2)3)103(161)130-76(48-86(144)145)100(158)132-78(47-83(111)140)107(165)137-41-19-26-81(137)104(162)124-69(95(153)136-89)25-18-40-118-109(115)116/h12-16,20-23,27-34,50,54-59,68-81,88-89,119,138H,11,17-19,24-26,35-49,51-53H2,1-10H3,(H2,110,139)(H2,111,140)(H2,112,141)(H,120,150)(H,121,148)(H,122,157)(H,123,160)(H,124,162)(H,125,163)(H,126,149)(H,127,152)(H,128,156)(H,129,151)(H,130,161)(H,131,164)(H,132,158)(H,133,154)(H,134,155)(H,135,159)(H,136,153)(H,142,143)(H,144,145)(H,146,147)(H4,113,114,117)(H4,115,116,118)/t57-,58+,59-,68+,69-,70-,71-,72-,73+,74-,75-,76+,77-,78-,79+,80+,81+,88-,89+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of amino terminally biotinylated E-76 peptide binding to immobilized fVIIa |
Bioorg Med Chem Lett 12: 2883-6 (2002)
BindingDB Entry DOI: 10.7270/Q25H7FMF |
More data for this
Ligand-Target Pair | |
Coagulation factor VII
(Homo sapiens (Human)) | BDBM50119058
(Biotinylated E-76 peptide analogue | CHEMBL410279)Show SMILES CC[C@H](C)[C@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H]2CCCN2C(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@@H](CSSC[C@@H](NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC1=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)NCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NS(=O)(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C106H146N28O29S3/c1-8-55(6)87-103(160)127-75(48-85(143)144)96(153)118-66(25-16-38-114-105(110)111)90(147)125-73(45-61-49-116-65-24-15-14-23-64(61)65)95(152)124-71(43-58-28-31-62(135)32-29-58)94(151)130-77(99(156)119-69(34-36-80(107)136)91(148)123-72(42-57-19-10-9-11-20-57)98(155)131-86(54(4)5)102(159)121-68(35-37-83(139)140)89(146)117-50-82(109)138)51-164-165-52-78(129-93(150)70(41-53(2)3)122-88(145)56(7)133-166(162,163)63-33-30-59-21-12-13-22-60(59)44-63)100(157)126-74(47-84(141)142)97(154)128-76(46-81(108)137)104(161)134-40-18-27-79(134)101(158)120-67(92(149)132-87)26-17-39-115-106(112)113/h9-15,19-24,28-33,44,49,53-56,66-79,86-87,116,133,135H,8,16-18,25-27,34-43,45-48,50-52H2,1-7H3,(H2,107,136)(H2,108,137)(H2,109,138)(H,117,146)(H,118,153)(H,119,156)(H,120,158)(H,121,159)(H,122,145)(H,123,148)(H,124,152)(H,125,147)(H,126,157)(H,127,160)(H,128,154)(H,129,150)(H,130,151)(H,131,155)(H,132,149)(H,139,140)(H,141,142)(H,143,144)(H4,110,111,114)(H4,112,113,115)/t55-,56-,66+,67-,68-,69-,70-,71+,72-,73-,74+,75-,76-,77+,78+,79+,86-,87+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of amino terminally biotinylated E-76 peptide binding to immobilized fVIIa |
Bioorg Med Chem Lett 12: 2883-6 (2002)
BindingDB Entry DOI: 10.7270/Q25H7FMF |
More data for this
Ligand-Target Pair | |
Search and Browse
