Found 10 hits in this display 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 |
|---|
Trypsin
(Homo sapiens (Human)) | BDBM50533536
(CHEMBL4483694)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CSSC[C@H]2NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H]3CCCN3C(=O)[C@@H]3CSSC[C@@H](NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(=O)N3)NC(=O)[C@@H](NC2=O)[C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(O)=O)NC(=O)[C@@H](NC(=O)CNC(=O)CN)C(C)C |r| Show InChI InChI=1S/C138H225N47O46S6/c1-10-67(7)107-131(226)172-78(43-65(3)4)119(214)167-73(23-12-15-35-139)114(209)165-74(24-13-16-36-140)117(212)177-88-60-233-234-61-89-126(221)164-72(26-18-38-150-136(144)145)110(205)154-52-99(194)161-80(45-95(143)190)111(206)155-53-98(193)160-79(44-70-31-33-71(189)34-32-70)120(215)176-87(113(208)157-55-100(195)162-84(56-186)112(207)156-54-101(196)163-85(57-187)123(218)173-83(135(230)231)48-105(202)203)59-232-236-63-91(179-122(217)82(47-104(200)201)171-124(219)86(58-188)174-121(216)81(46-103(198)199)170-116(211)77(28-20-40-152-138(148)149)166-115(210)76(168-125(88)220)27-19-39-151-137(146)147)133(228)184-41-21-29-93(184)128(223)158-51-97(192)159-69(9)109(204)175-90(127(222)183-108(68(8)11-2)132(227)178-89)62-235-237-64-92(180-130(225)106(66(5)6)181-102(197)50-153-96(191)49-142)134(229)185-42-22-30-94(185)129(224)169-75(118(213)182-107)25-14-17-37-141/h31-34,65-69,72-94,106-108,186-189H,10-30,35-64,139-142H2,1-9H3,(H2,143,190)(H,153,191)(H,154,205)(H,155,206)(H,156,207)(H,157,208)(H,158,223)(H,159,192)(H,160,193)(H,161,194)(H,162,195)(H,163,196)(H,164,221)(H,165,209)(H,166,210)(H,167,214)(H,168,220)(H,169,224)(H,170,211)(H,171,219)(H,172,226)(H,173,218)(H,174,216)(H,175,204)(H,176,215)(H,177,212)(H,178,227)(H,179,217)(H,180,225)(H,181,197)(H,182,213)(H,183,222)(H,198,199)(H,200,201)(H,202,203)(H,230,231)(H4,144,145,150)(H4,146,147,151)(H4,148,149,152)/t67-,68-,69-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87+,88-,89-,90+,91-,92+,93-,94-,106-,107-,108-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| 0.160 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Queensland
Curated by ChEMBL
| Assay Description
Inhibition of trypsin (unknown origin) using Bz-FVRpNA as substrate incubated for 30 mins measured for 7 mins by morrison plot analysis |
J Med Chem 59: 7287-92 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00557
BindingDB Entry DOI: 10.7270/Q29G5R98 |
More data for this
Ligand-Target Pair | |
Plasminogen
(Homo sapiens (Human)) | BDBM50533536
(CHEMBL4483694)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CSSC[C@H]2NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H]3CCCN3C(=O)[C@@H]3CSSC[C@@H](NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(=O)N3)NC(=O)[C@@H](NC2=O)[C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(O)=O)NC(=O)[C@@H](NC(=O)CNC(=O)CN)C(C)C |r| Show InChI InChI=1S/C138H225N47O46S6/c1-10-67(7)107-131(226)172-78(43-65(3)4)119(214)167-73(23-12-15-35-139)114(209)165-74(24-13-16-36-140)117(212)177-88-60-233-234-61-89-126(221)164-72(26-18-38-150-136(144)145)110(205)154-52-99(194)161-80(45-95(143)190)111(206)155-53-98(193)160-79(44-70-31-33-71(189)34-32-70)120(215)176-87(113(208)157-55-100(195)162-84(56-186)112(207)156-54-101(196)163-85(57-187)123(218)173-83(135(230)231)48-105(202)203)59-232-236-63-91(179-122(217)82(47-104(200)201)171-124(219)86(58-188)174-121(216)81(46-103(198)199)170-116(211)77(28-20-40-152-138(148)149)166-115(210)76(168-125(88)220)27-19-39-151-137(146)147)133(228)184-41-21-29-93(184)128(223)158-51-97(192)159-69(9)109(204)175-90(127(222)183-108(68(8)11-2)132(227)178-89)62-235-237-64-92(180-130(225)106(66(5)6)181-102(197)50-153-96(191)49-142)134(229)185-42-22-30-94(185)129(224)169-75(118(213)182-107)25-14-17-37-141/h31-34,65-69,72-94,106-108,186-189H,10-30,35-64,139-142H2,1-9H3,(H2,143,190)(H,153,191)(H,154,205)(H,155,206)(H,156,207)(H,157,208)(H,158,223)(H,159,192)(H,160,193)(H,161,194)(H,162,195)(H,163,196)(H,164,221)(H,165,209)(H,166,210)(H,167,214)(H,168,220)(H,169,224)(H,170,211)(H,171,219)(H,172,226)(H,173,218)(H,174,216)(H,175,204)(H,176,215)(H,177,212)(H,178,227)(H,179,217)(H,180,225)(H,181,197)(H,182,213)(H,183,222)(H,198,199)(H,200,201)(H,202,203)(H,230,231)(H4,144,145,150)(H4,146,147,151)(H4,148,149,152)/t67-,68-,69-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87+,88-,89-,90+,91-,92+,93-,94-,106-,107-,108-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| 28 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Queensland
Curated by ChEMBL
| Assay Description
Inhibition of plasmin (unknown origin) using Ac-RM(O2)YRpNA as substrate incubated for 30 mins measured for 7 mins by morrison plot analysis |
J Med Chem 59: 7287-92 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00557
BindingDB Entry DOI: 10.7270/Q29G5R98 |
More data for this
Ligand-Target Pair | |
Coagulation factor XII
(Homo sapiens (Human)) | BDBM50533536
(CHEMBL4483694)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CSSC[C@H]2NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H]3CCCN3C(=O)[C@@H]3CSSC[C@@H](NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(=O)N3)NC(=O)[C@@H](NC2=O)[C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(O)=O)NC(=O)[C@@H](NC(=O)CNC(=O)CN)C(C)C |r| Show InChI InChI=1S/C138H225N47O46S6/c1-10-67(7)107-131(226)172-78(43-65(3)4)119(214)167-73(23-12-15-35-139)114(209)165-74(24-13-16-36-140)117(212)177-88-60-233-234-61-89-126(221)164-72(26-18-38-150-136(144)145)110(205)154-52-99(194)161-80(45-95(143)190)111(206)155-53-98(193)160-79(44-70-31-33-71(189)34-32-70)120(215)176-87(113(208)157-55-100(195)162-84(56-186)112(207)156-54-101(196)163-85(57-187)123(218)173-83(135(230)231)48-105(202)203)59-232-236-63-91(179-122(217)82(47-104(200)201)171-124(219)86(58-188)174-121(216)81(46-103(198)199)170-116(211)77(28-20-40-152-138(148)149)166-115(210)76(168-125(88)220)27-19-39-151-137(146)147)133(228)184-41-21-29-93(184)128(223)158-51-97(192)159-69(9)109(204)175-90(127(222)183-108(68(8)11-2)132(227)178-89)62-235-237-64-92(180-130(225)106(66(5)6)181-102(197)50-153-96(191)49-142)134(229)185-42-22-30-94(185)129(224)169-75(118(213)182-107)25-14-17-37-141/h31-34,65-69,72-94,106-108,186-189H,10-30,35-64,139-142H2,1-9H3,(H2,143,190)(H,153,191)(H,154,205)(H,155,206)(H,156,207)(H,157,208)(H,158,223)(H,159,192)(H,160,193)(H,161,194)(H,162,195)(H,163,196)(H,164,221)(H,165,209)(H,166,210)(H,167,214)(H,168,220)(H,169,224)(H,170,211)(H,171,219)(H,172,226)(H,173,218)(H,174,216)(H,175,204)(H,176,215)(H,177,212)(H,178,227)(H,179,217)(H,180,225)(H,181,197)(H,182,213)(H,183,222)(H,198,199)(H,200,201)(H,202,203)(H,230,231)(H4,144,145,150)(H4,146,147,151)(H4,148,149,152)/t67-,68-,69-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87+,88-,89-,90+,91-,92+,93-,94-,106-,107-,108-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| 750 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Queensland
Curated by ChEMBL
| Assay Description
Inhibition of factor 12a (unknown origin) using Ac-QRFRpNA as substrate incubated for 30 mins measured for 7 mins by morrison plot analysis |
J Med Chem 59: 7287-92 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00557
BindingDB Entry DOI: 10.7270/Q29G5R98 |
More data for this
Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50533536
(CHEMBL4483694)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CSSC[C@H]2NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H]3CCCN3C(=O)[C@@H]3CSSC[C@@H](NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(=O)N3)NC(=O)[C@@H](NC2=O)[C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(O)=O)NC(=O)[C@@H](NC(=O)CNC(=O)CN)C(C)C |r| Show InChI InChI=1S/C138H225N47O46S6/c1-10-67(7)107-131(226)172-78(43-65(3)4)119(214)167-73(23-12-15-35-139)114(209)165-74(24-13-16-36-140)117(212)177-88-60-233-234-61-89-126(221)164-72(26-18-38-150-136(144)145)110(205)154-52-99(194)161-80(45-95(143)190)111(206)155-53-98(193)160-79(44-70-31-33-71(189)34-32-70)120(215)176-87(113(208)157-55-100(195)162-84(56-186)112(207)156-54-101(196)163-85(57-187)123(218)173-83(135(230)231)48-105(202)203)59-232-236-63-91(179-122(217)82(47-104(200)201)171-124(219)86(58-188)174-121(216)81(46-103(198)199)170-116(211)77(28-20-40-152-138(148)149)166-115(210)76(168-125(88)220)27-19-39-151-137(146)147)133(228)184-41-21-29-93(184)128(223)158-51-97(192)159-69(9)109(204)175-90(127(222)183-108(68(8)11-2)132(227)178-89)62-235-237-64-92(180-130(225)106(66(5)6)181-102(197)50-153-96(191)49-142)134(229)185-42-22-30-94(185)129(224)169-75(118(213)182-107)25-14-17-37-141/h31-34,65-69,72-94,106-108,186-189H,10-30,35-64,139-142H2,1-9H3,(H2,143,190)(H,153,191)(H,154,205)(H,155,206)(H,156,207)(H,157,208)(H,158,223)(H,159,192)(H,160,193)(H,161,194)(H,162,195)(H,163,196)(H,164,221)(H,165,209)(H,166,210)(H,167,214)(H,168,220)(H,169,224)(H,170,211)(H,171,219)(H,172,226)(H,173,218)(H,174,216)(H,175,204)(H,176,215)(H,177,212)(H,178,227)(H,179,217)(H,180,225)(H,181,197)(H,182,213)(H,183,222)(H,198,199)(H,200,201)(H,202,203)(H,230,231)(H4,144,145,150)(H4,146,147,151)(H4,148,149,152)/t67-,68-,69-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87+,88-,89-,90+,91-,92+,93-,94-,106-,107-,108-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Queensland
Curated by ChEMBL
| Assay Description
Inhibition of factor 11a (unknown origin) using Bz-FVRpNA as substrate incubated for 30 mins measured for 7 mins by morrison plot analysis |
J Med Chem 59: 7287-92 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00557
BindingDB Entry DOI: 10.7270/Q29G5R98 |
More data for this
Ligand-Target Pair | |
Plasma kallikrein
(Homo sapiens (Human)) | BDBM50533536
(CHEMBL4483694)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CSSC[C@H]2NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H]3CCCN3C(=O)[C@@H]3CSSC[C@@H](NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(=O)N3)NC(=O)[C@@H](NC2=O)[C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(O)=O)NC(=O)[C@@H](NC(=O)CNC(=O)CN)C(C)C |r| Show InChI InChI=1S/C138H225N47O46S6/c1-10-67(7)107-131(226)172-78(43-65(3)4)119(214)167-73(23-12-15-35-139)114(209)165-74(24-13-16-36-140)117(212)177-88-60-233-234-61-89-126(221)164-72(26-18-38-150-136(144)145)110(205)154-52-99(194)161-80(45-95(143)190)111(206)155-53-98(193)160-79(44-70-31-33-71(189)34-32-70)120(215)176-87(113(208)157-55-100(195)162-84(56-186)112(207)156-54-101(196)163-85(57-187)123(218)173-83(135(230)231)48-105(202)203)59-232-236-63-91(179-122(217)82(47-104(200)201)171-124(219)86(58-188)174-121(216)81(46-103(198)199)170-116(211)77(28-20-40-152-138(148)149)166-115(210)76(168-125(88)220)27-19-39-151-137(146)147)133(228)184-41-21-29-93(184)128(223)158-51-97(192)159-69(9)109(204)175-90(127(222)183-108(68(8)11-2)132(227)178-89)62-235-237-64-92(180-130(225)106(66(5)6)181-102(197)50-153-96(191)49-142)134(229)185-42-22-30-94(185)129(224)169-75(118(213)182-107)25-14-17-37-141/h31-34,65-69,72-94,106-108,186-189H,10-30,35-64,139-142H2,1-9H3,(H2,143,190)(H,153,191)(H,154,205)(H,155,206)(H,156,207)(H,157,208)(H,158,223)(H,159,192)(H,160,193)(H,161,194)(H,162,195)(H,163,196)(H,164,221)(H,165,209)(H,166,210)(H,167,214)(H,168,220)(H,169,224)(H,170,211)(H,171,219)(H,172,226)(H,173,218)(H,174,216)(H,175,204)(H,176,215)(H,177,212)(H,178,227)(H,179,217)(H,180,225)(H,181,197)(H,182,213)(H,183,222)(H,198,199)(H,200,201)(H,202,203)(H,230,231)(H4,144,145,150)(H4,146,147,151)(H4,148,149,152)/t67-,68-,69-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87+,88-,89-,90+,91-,92+,93-,94-,106-,107-,108-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Queensland
Curated by ChEMBL
| Assay Description
Inhibition of human plasma kallikrein using Ac-RM(O2)YRpNA as substrate incubated for 30 mins measured for 7 mins by morrison plot analysis |
J Med Chem 59: 7287-92 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00557
BindingDB Entry DOI: 10.7270/Q29G5R98 |
More data for this
Ligand-Target Pair | |
Urokinase-type plasminogen activator
(Homo sapiens (Human)) | BDBM50533536
(CHEMBL4483694)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CSSC[C@H]2NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H]3CCCN3C(=O)[C@@H]3CSSC[C@@H](NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(=O)N3)NC(=O)[C@@H](NC2=O)[C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(O)=O)NC(=O)[C@@H](NC(=O)CNC(=O)CN)C(C)C |r| Show InChI InChI=1S/C138H225N47O46S6/c1-10-67(7)107-131(226)172-78(43-65(3)4)119(214)167-73(23-12-15-35-139)114(209)165-74(24-13-16-36-140)117(212)177-88-60-233-234-61-89-126(221)164-72(26-18-38-150-136(144)145)110(205)154-52-99(194)161-80(45-95(143)190)111(206)155-53-98(193)160-79(44-70-31-33-71(189)34-32-70)120(215)176-87(113(208)157-55-100(195)162-84(56-186)112(207)156-54-101(196)163-85(57-187)123(218)173-83(135(230)231)48-105(202)203)59-232-236-63-91(179-122(217)82(47-104(200)201)171-124(219)86(58-188)174-121(216)81(46-103(198)199)170-116(211)77(28-20-40-152-138(148)149)166-115(210)76(168-125(88)220)27-19-39-151-137(146)147)133(228)184-41-21-29-93(184)128(223)158-51-97(192)159-69(9)109(204)175-90(127(222)183-108(68(8)11-2)132(227)178-89)62-235-237-64-92(180-130(225)106(66(5)6)181-102(197)50-153-96(191)49-142)134(229)185-42-22-30-94(185)129(224)169-75(118(213)182-107)25-14-17-37-141/h31-34,65-69,72-94,106-108,186-189H,10-30,35-64,139-142H2,1-9H3,(H2,143,190)(H,153,191)(H,154,205)(H,155,206)(H,156,207)(H,157,208)(H,158,223)(H,159,192)(H,160,193)(H,161,194)(H,162,195)(H,163,196)(H,164,221)(H,165,209)(H,166,210)(H,167,214)(H,168,220)(H,169,224)(H,170,211)(H,171,219)(H,172,226)(H,173,218)(H,174,216)(H,175,204)(H,176,215)(H,177,212)(H,178,227)(H,179,217)(H,180,225)(H,181,197)(H,182,213)(H,183,222)(H,198,199)(H,200,201)(H,202,203)(H,230,231)(H4,144,145,150)(H4,146,147,151)(H4,148,149,152)/t67-,68-,69-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87+,88-,89-,90+,91-,92+,93-,94-,106-,107-,108-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Queensland
Curated by ChEMBL
| Assay Description
Inhibition of uPA (unknown origin) incubated for 30 mins measured for 7 mins by morrison plot analysis |
J Med Chem 59: 7287-92 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00557
BindingDB Entry DOI: 10.7270/Q29G5R98 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50533536
(CHEMBL4483694)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CSSC[C@H]2NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H]3CCCN3C(=O)[C@@H]3CSSC[C@@H](NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(=O)N3)NC(=O)[C@@H](NC2=O)[C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(O)=O)NC(=O)[C@@H](NC(=O)CNC(=O)CN)C(C)C |r| Show InChI InChI=1S/C138H225N47O46S6/c1-10-67(7)107-131(226)172-78(43-65(3)4)119(214)167-73(23-12-15-35-139)114(209)165-74(24-13-16-36-140)117(212)177-88-60-233-234-61-89-126(221)164-72(26-18-38-150-136(144)145)110(205)154-52-99(194)161-80(45-95(143)190)111(206)155-53-98(193)160-79(44-70-31-33-71(189)34-32-70)120(215)176-87(113(208)157-55-100(195)162-84(56-186)112(207)156-54-101(196)163-85(57-187)123(218)173-83(135(230)231)48-105(202)203)59-232-236-63-91(179-122(217)82(47-104(200)201)171-124(219)86(58-188)174-121(216)81(46-103(198)199)170-116(211)77(28-20-40-152-138(148)149)166-115(210)76(168-125(88)220)27-19-39-151-137(146)147)133(228)184-41-21-29-93(184)128(223)158-51-97(192)159-69(9)109(204)175-90(127(222)183-108(68(8)11-2)132(227)178-89)62-235-237-64-92(180-130(225)106(66(5)6)181-102(197)50-153-96(191)49-142)134(229)185-42-22-30-94(185)129(224)169-75(118(213)182-107)25-14-17-37-141/h31-34,65-69,72-94,106-108,186-189H,10-30,35-64,139-142H2,1-9H3,(H2,143,190)(H,153,191)(H,154,205)(H,155,206)(H,156,207)(H,157,208)(H,158,223)(H,159,192)(H,160,193)(H,161,194)(H,162,195)(H,163,196)(H,164,221)(H,165,209)(H,166,210)(H,167,214)(H,168,220)(H,169,224)(H,170,211)(H,171,219)(H,172,226)(H,173,218)(H,174,216)(H,175,204)(H,176,215)(H,177,212)(H,178,227)(H,179,217)(H,180,225)(H,181,197)(H,182,213)(H,183,222)(H,198,199)(H,200,201)(H,202,203)(H,230,231)(H4,144,145,150)(H4,146,147,151)(H4,148,149,152)/t67-,68-,69-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87+,88-,89-,90+,91-,92+,93-,94-,106-,107-,108-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Queensland
Curated by ChEMBL
| Assay Description
Inhibition of factor 10a (unknown origin) using Ac-QRSRpNA as substrate incubated for 30 mins measured for 7 mins by morrison plot analysis |
J Med Chem 59: 7287-92 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00557
BindingDB Entry DOI: 10.7270/Q29G5R98 |
More data for this
Ligand-Target Pair | |
Tissue-type plasminogen activator
(Homo sapiens (Human)) | BDBM50533536
(CHEMBL4483694)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CSSC[C@H]2NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H]3CCCN3C(=O)[C@@H]3CSSC[C@@H](NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(=O)N3)NC(=O)[C@@H](NC2=O)[C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(O)=O)NC(=O)[C@@H](NC(=O)CNC(=O)CN)C(C)C |r| Show InChI InChI=1S/C138H225N47O46S6/c1-10-67(7)107-131(226)172-78(43-65(3)4)119(214)167-73(23-12-15-35-139)114(209)165-74(24-13-16-36-140)117(212)177-88-60-233-234-61-89-126(221)164-72(26-18-38-150-136(144)145)110(205)154-52-99(194)161-80(45-95(143)190)111(206)155-53-98(193)160-79(44-70-31-33-71(189)34-32-70)120(215)176-87(113(208)157-55-100(195)162-84(56-186)112(207)156-54-101(196)163-85(57-187)123(218)173-83(135(230)231)48-105(202)203)59-232-236-63-91(179-122(217)82(47-104(200)201)171-124(219)86(58-188)174-121(216)81(46-103(198)199)170-116(211)77(28-20-40-152-138(148)149)166-115(210)76(168-125(88)220)27-19-39-151-137(146)147)133(228)184-41-21-29-93(184)128(223)158-51-97(192)159-69(9)109(204)175-90(127(222)183-108(68(8)11-2)132(227)178-89)62-235-237-64-92(180-130(225)106(66(5)6)181-102(197)50-153-96(191)49-142)134(229)185-42-22-30-94(185)129(224)169-75(118(213)182-107)25-14-17-37-141/h31-34,65-69,72-94,106-108,186-189H,10-30,35-64,139-142H2,1-9H3,(H2,143,190)(H,153,191)(H,154,205)(H,155,206)(H,156,207)(H,157,208)(H,158,223)(H,159,192)(H,160,193)(H,161,194)(H,162,195)(H,163,196)(H,164,221)(H,165,209)(H,166,210)(H,167,214)(H,168,220)(H,169,224)(H,170,211)(H,171,219)(H,172,226)(H,173,218)(H,174,216)(H,175,204)(H,176,215)(H,177,212)(H,178,227)(H,179,217)(H,180,225)(H,181,197)(H,182,213)(H,183,222)(H,198,199)(H,200,201)(H,202,203)(H,230,231)(H4,144,145,150)(H4,146,147,151)(H4,148,149,152)/t67-,68-,69-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87+,88-,89-,90+,91-,92+,93-,94-,106-,107-,108-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Queensland
Curated by ChEMBL
| Assay Description
Inhibition of tPA (unknown origin) incubated for 30 mins measured for 7 mins by morrison plot analysis |
J Med Chem 59: 7287-92 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00557
BindingDB Entry DOI: 10.7270/Q29G5R98 |
More data for this
Ligand-Target Pair | |
Coagulation factor IX
(Homo sapiens (Human)) | BDBM50533536
(CHEMBL4483694)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CSSC[C@H]2NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H]3CCCN3C(=O)[C@@H]3CSSC[C@@H](NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(=O)N3)NC(=O)[C@@H](NC2=O)[C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(O)=O)NC(=O)[C@@H](NC(=O)CNC(=O)CN)C(C)C |r| Show InChI InChI=1S/C138H225N47O46S6/c1-10-67(7)107-131(226)172-78(43-65(3)4)119(214)167-73(23-12-15-35-139)114(209)165-74(24-13-16-36-140)117(212)177-88-60-233-234-61-89-126(221)164-72(26-18-38-150-136(144)145)110(205)154-52-99(194)161-80(45-95(143)190)111(206)155-53-98(193)160-79(44-70-31-33-71(189)34-32-70)120(215)176-87(113(208)157-55-100(195)162-84(56-186)112(207)156-54-101(196)163-85(57-187)123(218)173-83(135(230)231)48-105(202)203)59-232-236-63-91(179-122(217)82(47-104(200)201)171-124(219)86(58-188)174-121(216)81(46-103(198)199)170-116(211)77(28-20-40-152-138(148)149)166-115(210)76(168-125(88)220)27-19-39-151-137(146)147)133(228)184-41-21-29-93(184)128(223)158-51-97(192)159-69(9)109(204)175-90(127(222)183-108(68(8)11-2)132(227)178-89)62-235-237-64-92(180-130(225)106(66(5)6)181-102(197)50-153-96(191)49-142)134(229)185-42-22-30-94(185)129(224)169-75(118(213)182-107)25-14-17-37-141/h31-34,65-69,72-94,106-108,186-189H,10-30,35-64,139-142H2,1-9H3,(H2,143,190)(H,153,191)(H,154,205)(H,155,206)(H,156,207)(H,157,208)(H,158,223)(H,159,192)(H,160,193)(H,161,194)(H,162,195)(H,163,196)(H,164,221)(H,165,209)(H,166,210)(H,167,214)(H,168,220)(H,169,224)(H,170,211)(H,171,219)(H,172,226)(H,173,218)(H,174,216)(H,175,204)(H,176,215)(H,177,212)(H,178,227)(H,179,217)(H,180,225)(H,181,197)(H,182,213)(H,183,222)(H,198,199)(H,200,201)(H,202,203)(H,230,231)(H4,144,145,150)(H4,146,147,151)(H4,148,149,152)/t67-,68-,69-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87+,88-,89-,90+,91-,92+,93-,94-,106-,107-,108-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Queensland
Curated by ChEMBL
| Assay Description
Inhibition of factor 9a (unknown origin) using Ac-QGRpNA as substrate incubated for 30 mins measured for 7 mins by morrison plot analysis |
J Med Chem 59: 7287-92 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00557
BindingDB Entry DOI: 10.7270/Q29G5R98 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50533536
(CHEMBL4483694)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CSSC[C@H]2NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H]3CCCN3C(=O)[C@@H]3CSSC[C@@H](NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(=O)N3)NC(=O)[C@@H](NC2=O)[C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(O)=O)NC(=O)[C@@H](NC(=O)CNC(=O)CN)C(C)C |r| Show InChI InChI=1S/C138H225N47O46S6/c1-10-67(7)107-131(226)172-78(43-65(3)4)119(214)167-73(23-12-15-35-139)114(209)165-74(24-13-16-36-140)117(212)177-88-60-233-234-61-89-126(221)164-72(26-18-38-150-136(144)145)110(205)154-52-99(194)161-80(45-95(143)190)111(206)155-53-98(193)160-79(44-70-31-33-71(189)34-32-70)120(215)176-87(113(208)157-55-100(195)162-84(56-186)112(207)156-54-101(196)163-85(57-187)123(218)173-83(135(230)231)48-105(202)203)59-232-236-63-91(179-122(217)82(47-104(200)201)171-124(219)86(58-188)174-121(216)81(46-103(198)199)170-116(211)77(28-20-40-152-138(148)149)166-115(210)76(168-125(88)220)27-19-39-151-137(146)147)133(228)184-41-21-29-93(184)128(223)158-51-97(192)159-69(9)109(204)175-90(127(222)183-108(68(8)11-2)132(227)178-89)62-235-237-64-92(180-130(225)106(66(5)6)181-102(197)50-153-96(191)49-142)134(229)185-42-22-30-94(185)129(224)169-75(118(213)182-107)25-14-17-37-141/h31-34,65-69,72-94,106-108,186-189H,10-30,35-64,139-142H2,1-9H3,(H2,143,190)(H,153,191)(H,154,205)(H,155,206)(H,156,207)(H,157,208)(H,158,223)(H,159,192)(H,160,193)(H,161,194)(H,162,195)(H,163,196)(H,164,221)(H,165,209)(H,166,210)(H,167,214)(H,168,220)(H,169,224)(H,170,211)(H,171,219)(H,172,226)(H,173,218)(H,174,216)(H,175,204)(H,176,215)(H,177,212)(H,178,227)(H,179,217)(H,180,225)(H,181,197)(H,182,213)(H,183,222)(H,198,199)(H,200,201)(H,202,203)(H,230,231)(H4,144,145,150)(H4,146,147,151)(H4,148,149,152)/t67-,68-,69-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87+,88-,89-,90+,91-,92+,93-,94-,106-,107-,108-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Queensland
Curated by ChEMBL
| Assay Description
Inhibition of thrombin (unknown origin) using Ac-ATPRpNA as substrate incubated for 30 mins measured for 7 mins by morrison plot analysis |
J Med Chem 59: 7287-92 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00557
BindingDB Entry DOI: 10.7270/Q29G5R98 |
More data for this
Ligand-Target Pair | |