Found 198 hits with Last Name = 'baumgartner' and Initial = 'c' 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 X
(Homo sapiens (Human)) | BDBM50307292
(2-(2-Carbamimidoyl-benzo[b]thiophen-4-yloxy)-2-phe...)Show SMILES NC(=N)c1cc2c(OC(C(=O)Nc3ccc(cc3)C(=O)N3CCCC3)c3ccccc3)cccc2s1 Show InChI InChI=1S/C28H26N4O3S/c29-26(30)24-17-21-22(9-6-10-23(21)36-24)35-25(18-7-2-1-3-8-18)27(33)31-20-13-11-19(12-14-20)28(34)32-15-4-5-16-32/h1-3,6-14,17,25H,4-5,15-16H2,(H3,29,30)(H,31,33) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Trigen Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of factor 10a by amidolytic assay |
J Med Chem 53: 1473-82 (2010)
Article DOI: 10.1021/jm901476x
BindingDB Entry DOI: 10.7270/Q2P84C0N |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50307291
(4-[2-(2-Carbamimidoyl-benzo[b]thiophen-4-yloxy)-2-...)Show SMILES CN(C)C(=O)c1ccc(NC(=O)C(Oc2cccc3sc(cc23)C(N)=N)c2ccccc2)cc1 Show InChI InChI=1S/C26H24N4O3S/c1-30(2)26(32)17-11-13-18(14-12-17)29-25(31)23(16-7-4-3-5-8-16)33-20-9-6-10-21-19(20)15-22(34-21)24(27)28/h3-15,23H,1-2H3,(H3,27,28)(H,29,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Trigen Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of factor 10a by amidolytic assay |
J Med Chem 53: 1473-82 (2010)
Article DOI: 10.1021/jm901476x
BindingDB Entry DOI: 10.7270/Q2P84C0N |
More data for this
Ligand-Target Pair | |
Coagulation factor IX
(Homo sapiens (Human)) | BDBM50307314
(CHEMBL597557 | [2-Isobutylamino-methyl)-phenyl]-ca...)Show SMILES CC(C)CNCc1ccccc1NC(=O)OCC(Oc1cccc2sc(cc12)C(N)=N)c1ccccc1 Show InChI InChI=1S/C29H32N4O3S/c1-19(2)16-32-17-21-11-6-7-12-23(21)33-29(34)35-18-25(20-9-4-3-5-10-20)36-24-13-8-14-26-22(24)15-27(37-26)28(30)31/h3-15,19,25,32H,16-18H2,1-2H3,(H3,30,31)(H,33,34) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Trigen Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant factor 9a by amidolytic assay |
J Med Chem 53: 1473-82 (2010)
Article DOI: 10.1021/jm901476x
BindingDB Entry DOI: 10.7270/Q2P84C0N |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50307290
(1-{4-[2-(2-Carbamimidoyl-benzo[b]thiophen-4-yloxy)...)Show SMILES CCOC(=O)c1nccn1-c1ccc(NC(=O)C(Oc2cccc3sc(cc23)C(N)=N)c2ccccc2)cc1 Show InChI InChI=1S/C29H25N5O4S/c1-2-37-29(36)27-32-15-16-34(27)20-13-11-19(12-14-20)33-28(35)25(18-7-4-3-5-8-18)38-22-9-6-10-23-21(22)17-24(39-23)26(30)31/h3-17,25H,2H2,1H3,(H3,30,31)(H,33,35) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 2.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Trigen Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of factor 10a by amidolytic assay |
J Med Chem 53: 1473-82 (2010)
Article DOI: 10.1021/jm901476x
BindingDB Entry DOI: 10.7270/Q2P84C0N |
More data for this
Ligand-Target Pair | |
Coagulation factor IX
(Homo sapiens (Human)) | BDBM50307308
((R)-(4-Methoxy-phenyl)-carbamic acid 2-(2-carbamim...)Show SMILES COc1ccc(NC(=O)OC[C@H](Oc2cccc3sc(cc23)C(N)=N)c2ccccc2)cc1 |r| Show InChI InChI=1S/C25H23N3O4S/c1-30-18-12-10-17(11-13-18)28-25(29)31-15-21(16-6-3-2-4-7-16)32-20-8-5-9-22-19(20)14-23(33-22)24(26)27/h2-14,21H,15H2,1H3,(H3,26,27)(H,28,29)/t21-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Trigen Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant factor 9a by amidolytic assay |
J Med Chem 53: 1473-82 (2010)
Article DOI: 10.1021/jm901476x
BindingDB Entry DOI: 10.7270/Q2P84C0N |
More data for this
Ligand-Target Pair | |
Coagulation factor IX
(Homo sapiens (Human)) | BDBM50307313
((2-Methylamino-methyl-phenyl)-carbamic acid 2-(2-c...)Show SMILES CNCc1ccccc1NC(=O)OCC(Oc1cccc2sc(cc12)C(N)=N)c1ccccc1 Show InChI InChI=1S/C26H26N4O3S/c1-29-15-18-10-5-6-11-20(18)30-26(31)32-16-22(17-8-3-2-4-9-17)33-21-12-7-13-23-19(21)14-24(34-23)25(27)28/h2-14,22,29H,15-16H2,1H3,(H3,27,28)(H,30,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Trigen Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant factor 9a by amidolytic assay |
J Med Chem 53: 1473-82 (2010)
Article DOI: 10.1021/jm901476x
BindingDB Entry DOI: 10.7270/Q2P84C0N |
More data for this
Ligand-Target Pair | |
Coagulation factor IX
(Homo sapiens (Human)) | BDBM50307277
(CHEMBL604954 | [5-(Isopropylamino-methyl)-1,3-dime...)Show SMILES CC(C)NCc1c(NC(=O)OCC(Oc2cccc3sc(cc23)C(N)=N)c2ccccc2)c(C)nn1C Show InChI InChI=1S/C27H32N6O3S/c1-16(2)30-14-20-25(17(3)32-33(20)4)31-27(34)35-15-22(18-9-6-5-7-10-18)36-21-11-8-12-23-19(21)13-24(37-23)26(28)29/h5-13,16,22,30H,14-15H2,1-4H3,(H3,28,29)(H,31,34) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Trigen Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant factor 9a by amidolytic assay |
J Med Chem 53: 1473-82 (2010)
Article DOI: 10.1021/jm901476x
BindingDB Entry DOI: 10.7270/Q2P84C0N |
More data for this
Ligand-Target Pair | |
Coagulation factor IX
(Homo sapiens (Human)) | BDBM50307267
(CHEMBL597759 | [2-(Piperazin-1-ylmethyl)-phenyl]-c...)Show SMILES NC(=N)c1cc2c(OC(COC(=O)Nc3ccccc3CN3CCNCC3)c3ccccc3)cccc2s1 Show InChI InChI=1S/C29H31N5O3S/c30-28(31)27-17-22-24(11-6-12-26(22)38-27)37-25(20-7-2-1-3-8-20)19-36-29(35)33-23-10-5-4-9-21(23)18-34-15-13-32-14-16-34/h1-12,17,25,32H,13-16,18-19H2,(H3,30,31)(H,33,35) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Trigen Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant factor 9a by amidolytic assay |
J Med Chem 53: 1473-82 (2010)
Article DOI: 10.1021/jm901476x
BindingDB Entry DOI: 10.7270/Q2P84C0N |
More data for this
Ligand-Target Pair | |
Coagulation factor IX
(Homo sapiens (Human)) | BDBM50307312
((2-Aminomethyl-phenyl)-carbamic acid 2-(2-carbamim...)Show SMILES NCc1ccccc1NC(=O)OCC(Oc1cccc2sc(cc12)C(N)=N)c1ccccc1 Show InChI InChI=1S/C25H24N4O3S/c26-14-17-9-4-5-10-19(17)29-25(30)31-15-21(16-7-2-1-3-8-16)32-20-11-6-12-22-18(20)13-23(33-22)24(27)28/h1-13,21H,14-15,26H2,(H3,27,28)(H,29,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Trigen Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant factor 9a by amidolytic assay |
J Med Chem 53: 1473-82 (2010)
Article DOI: 10.1021/jm901476x
BindingDB Entry DOI: 10.7270/Q2P84C0N |
More data for this
Ligand-Target Pair | |
Coagulation factor IX
(Homo sapiens (Human)) | BDBM50307310
(CHEMBL597143 | [4-(2-Dimethylamino-ethoxy)-phenyl]...)Show SMILES CN(C)CCOc1ccc(NC(=O)OCC(Oc2cccc3sc(cc23)C(N)=N)c2ccccc2)cc1 Show InChI InChI=1S/C28H30N4O4S/c1-32(2)15-16-34-21-13-11-20(12-14-21)31-28(33)35-18-24(19-7-4-3-5-8-19)36-23-9-6-10-25-22(23)17-26(37-25)27(29)30/h3-14,17,24H,15-16,18H2,1-2H3,(H3,29,30)(H,31,33) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Trigen Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant factor 9a by amidolytic assay |
J Med Chem 53: 1473-82 (2010)
Article DOI: 10.1021/jm901476x
BindingDB Entry DOI: 10.7270/Q2P84C0N |
More data for this
Ligand-Target Pair | |
Coagulation factor IX
(Homo sapiens (Human)) | BDBM50307279
((2-Aminomethyl-phenyl)-carbamic acid 2-(2-carbamim...)Show SMILES NCc1ccccc1NC(=O)OCC(Oc1cc(F)cc2sc(cc12)C(N)=N)c1ccccc1 Show InChI InChI=1S/C25H23FN4O3S/c26-17-10-20(18-12-23(24(28)29)34-22(18)11-17)33-21(15-6-2-1-3-7-15)14-32-25(31)30-19-9-5-4-8-16(19)13-27/h1-12,21H,13-14,27H2,(H3,28,29)(H,30,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 4.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Trigen Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant factor 9a by amidolytic assay |
J Med Chem 53: 1473-82 (2010)
Article DOI: 10.1021/jm901476x
BindingDB Entry DOI: 10.7270/Q2P84C0N |
More data for this
Ligand-Target Pair | |
Coagulation factor IX
(Homo sapiens (Human)) | BDBM50307276
((5-Ethylaminomethyl-1,3-dimethyl-1H-pyrazol-4-yl)-...)Show SMILES CNCc1c(NC(=O)OCC(Oc2cccc3sc(cc23)C(N)=N)c2ccccc2)c(C)nn1C Show InChI InChI=1S/C25H28N6O3S/c1-15-23(18(13-28-2)31(3)30-15)29-25(32)33-14-20(16-8-5-4-6-9-16)34-19-10-7-11-21-17(19)12-22(35-21)24(26)27/h4-12,20,28H,13-14H2,1-3H3,(H3,26,27)(H,29,32) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Trigen Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant factor 9a by amidolytic assay |
J Med Chem 53: 1473-82 (2010)
Article DOI: 10.1021/jm901476x
BindingDB Entry DOI: 10.7270/Q2P84C0N |
More data for this
Ligand-Target Pair | |
Coagulation factor IX
(Homo sapiens (Human)) | BDBM50307273
((5-Methaminomethyl-2-methyl-2H-pyrazol-3-yl)-carba...)Show SMILES CNCc1cc(NC(=O)OCC(Oc2cccc3sc(cc23)C(N)=N)c2ccccc2)n(C)n1 Show InChI InChI=1S/C24H26N6O3S/c1-27-13-16-11-22(30(2)29-16)28-24(31)32-14-19(15-7-4-3-5-8-15)33-18-9-6-10-20-17(18)12-21(34-20)23(25)26/h3-12,19,27H,13-14H2,1-2H3,(H3,25,26)(H,28,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Trigen Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant factor 9a by amidolytic assay |
J Med Chem 53: 1473-82 (2010)
Article DOI: 10.1021/jm901476x
BindingDB Entry DOI: 10.7270/Q2P84C0N |
More data for this
Ligand-Target Pair | |
Coagulation factor IX
(Homo sapiens (Human)) | BDBM50307307
((4-Methoxy-phenyl)-carbamic acid 2-(2-carbamimidoy...)Show SMILES COc1ccc(NC(=O)OCC(Oc2cccc3sc(cc23)C(N)=N)c2ccccc2)cc1 Show InChI InChI=1S/C25H23N3O4S/c1-30-18-12-10-17(11-13-18)28-25(29)31-15-21(16-6-3-2-4-7-16)32-20-8-5-9-22-19(20)14-23(33-22)24(26)27/h2-14,21H,15H2,1H3,(H3,26,27)(H,28,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Trigen Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant factor 9a by amidolytic assay |
J Med Chem 53: 1473-82 (2010)
Article DOI: 10.1021/jm901476x
BindingDB Entry DOI: 10.7270/Q2P84C0N |
More data for this
Ligand-Target Pair | |
Coagulation factor IX
(Homo sapiens (Human)) | BDBM50307303
((2-Fluoro-phenyl)-carbamic acid 2-(2-carbamimidoyl...)Show SMILES NC(=N)c1cc2c(OC(COC(=O)Nc3ccccc3F)c3ccccc3)cccc2s1 Show InChI InChI=1S/C24H20FN3O3S/c25-17-9-4-5-10-18(17)28-24(29)30-14-20(15-7-2-1-3-8-15)31-19-11-6-12-21-16(19)13-22(32-21)23(26)27/h1-13,20H,14H2,(H3,26,27)(H,28,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Trigen Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant factor 9a by amidolytic assay |
J Med Chem 53: 1473-82 (2010)
Article DOI: 10.1021/jm901476x
BindingDB Entry DOI: 10.7270/Q2P84C0N |
More data for this
Ligand-Target Pair | |
Coagulation factor IX
(Homo sapiens (Human)) | BDBM50307269
((2,6-Difluoro-phenyl)-carbamic acid 2-(2-carbamimi...)Show SMILES NC(=N)c1cc2c(OC(COC(=O)Nc3c(F)cccc3F)c3ccccc3)cccc2s1 Show InChI InChI=1S/C24H19F2N3O3S/c25-16-8-4-9-17(26)22(16)29-24(30)31-13-19(14-6-2-1-3-7-14)32-18-10-5-11-20-15(18)12-21(33-20)23(27)28/h1-12,19H,13H2,(H3,27,28)(H,29,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Trigen Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant factor 9a by amidolytic assay |
J Med Chem 53: 1473-82 (2010)
Article DOI: 10.1021/jm901476x
BindingDB Entry DOI: 10.7270/Q2P84C0N |
More data for this
Ligand-Target Pair | |
Coagulation factor IX
(Homo sapiens (Human)) | BDBM50307268
((2,4-Difluoro-phenyl)-carbamic acid 2-(2-carbamimi...)Show SMILES NC(=N)c1cc2c(OC(COC(=O)Nc3ccc(F)cc3F)c3ccccc3)cccc2s1 Show InChI InChI=1S/C24H19F2N3O3S/c25-15-9-10-18(17(26)11-15)29-24(30)31-13-20(14-5-2-1-3-6-14)32-19-7-4-8-21-16(19)12-22(33-21)23(27)28/h1-12,20H,13H2,(H3,27,28)(H,29,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Trigen Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant factor 9a by amidolytic assay |
J Med Chem 53: 1473-82 (2010)
Article DOI: 10.1021/jm901476x
BindingDB Entry DOI: 10.7270/Q2P84C0N |
More data for this
Ligand-Target Pair | |
Coagulation factor IX
(Homo sapiens (Human)) | BDBM50307306
(CHEMBL604289 | o-Tolyl-carbamic acid 2-(2-carbamim...)Show SMILES Cc1ccccc1NC(=O)OCC(Oc1cccc2sc(cc12)C(N)=N)c1ccccc1 Show InChI InChI=1S/C25H23N3O3S/c1-16-8-5-6-11-19(16)28-25(29)30-15-21(17-9-3-2-4-10-17)31-20-12-7-13-22-18(20)14-23(32-22)24(26)27/h2-14,21H,15H2,1H3,(H3,26,27)(H,28,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Trigen Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant factor 9a by amidolytic assay |
J Med Chem 53: 1473-82 (2010)
Article DOI: 10.1021/jm901476x
BindingDB Entry DOI: 10.7270/Q2P84C0N |
More data for this
Ligand-Target Pair | |
Coagulation factor IX
(Homo sapiens (Human)) | BDBM50307305
((4-Fluoro-phenyl)-carbamic acid 2-(2-carbamimidoyl...)Show SMILES NC(=N)c1cc2c(OC(COC(=O)Nc3ccc(F)cc3)c3ccccc3)cccc2s1 Show InChI InChI=1S/C24H20FN3O3S/c25-16-9-11-17(12-10-16)28-24(29)30-14-20(15-5-2-1-3-6-15)31-19-7-4-8-21-18(19)13-22(32-21)23(26)27/h1-13,20H,14H2,(H3,26,27)(H,28,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Trigen Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant factor 9a by amidolytic assay |
J Med Chem 53: 1473-82 (2010)
Article DOI: 10.1021/jm901476x
BindingDB Entry DOI: 10.7270/Q2P84C0N |
More data for this
Ligand-Target Pair | |
Coagulation factor IX
(Homo sapiens (Human)) | BDBM50307274
((3,5-Dimethyl-1H-pyrazol-4-yl)-carbamic acid 2-(2-...)Show SMILES Cc1n[nH]c(C)c1NC(=O)OCC(Oc1cccc2sc(cc12)C(N)=N)c1ccccc1 Show InChI InChI=1S/C23H23N5O3S/c1-13-21(14(2)28-27-13)26-23(29)30-12-18(15-7-4-3-5-8-15)31-17-9-6-10-19-16(17)11-20(32-19)22(24)25/h3-11,18H,12H2,1-2H3,(H3,24,25)(H,26,29)(H,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Trigen Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant factor 9a by amidolytic assay |
J Med Chem 53: 1473-82 (2010)
Article DOI: 10.1021/jm901476x
BindingDB Entry DOI: 10.7270/Q2P84C0N |
More data for this
Ligand-Target Pair | |
Coagulation factor IX
(Homo sapiens (Human)) | BDBM50307315
((2-Dimethylaminomethyl-phenyl)-carbamic acid 2-(2-...)Show SMILES CN(C)Cc1ccccc1NC(=O)OCC(Oc1cccc2sc(cc12)C(N)=N)c1ccccc1 Show InChI InChI=1S/C27H28N4O3S/c1-31(2)16-19-11-6-7-12-21(19)30-27(32)33-17-23(18-9-4-3-5-10-18)34-22-13-8-14-24-20(22)15-25(35-24)26(28)29/h3-15,23H,16-17H2,1-2H3,(H3,28,29)(H,30,32) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Trigen Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant factor 9a by amidolytic assay |
J Med Chem 53: 1473-82 (2010)
Article DOI: 10.1021/jm901476x
BindingDB Entry DOI: 10.7270/Q2P84C0N |
More data for this
Ligand-Target Pair | |
Coagulation factor IX
(Homo sapiens (Human)) | BDBM50307280
((2-Dimethylaminomethyl-phenyl)-carbamic acid 2-(2-...)Show SMILES CN(C)Cc1ccccc1NC(=O)OCC(Oc1cc(F)cc2sc(cc12)C(N)=N)c1ccccc1 Show InChI InChI=1S/C27H27FN4O3S/c1-32(2)15-18-10-6-7-11-21(18)31-27(33)34-16-23(17-8-4-3-5-9-17)35-22-12-19(28)13-24-20(22)14-25(36-24)26(29)30/h3-14,23H,15-16H2,1-2H3,(H3,29,30)(H,31,33) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 8.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Trigen Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant factor 9a by amidolytic assay |
J Med Chem 53: 1473-82 (2010)
Article DOI: 10.1021/jm901476x
BindingDB Entry DOI: 10.7270/Q2P84C0N |
More data for this
Ligand-Target Pair | |
Coagulation factor IX
(Homo sapiens (Human)) | BDBM50307272
((5-Methoxymethyl-2-methyl-2H-pyrazol-3-yl)-carbami...)Show SMILES COCc1cc(NC(=O)OCC(Oc2cccc3sc(cc23)C(N)=N)c2ccccc2)n(C)n1 Show InChI InChI=1S/C24H25N5O4S/c1-29-22(11-16(28-29)13-31-2)27-24(30)32-14-19(15-7-4-3-5-8-15)33-18-9-6-10-20-17(18)12-21(34-20)23(25)26/h3-12,19H,13-14H2,1-2H3,(H3,25,26)(H,27,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Trigen Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant factor 9a by amidolytic assay |
J Med Chem 53: 1473-82 (2010)
Article DOI: 10.1021/jm901476x
BindingDB Entry DOI: 10.7270/Q2P84C0N |
More data for this
Ligand-Target Pair | |
Coagulation factor IX
(Homo sapiens (Human)) | BDBM50307311
(CHEMBL597144 | [4-(4-Methyl-piperazin-1-ylmethyl)-...)Show SMILES CN1CCN(Cc2ccc(NC(=O)OCC(Oc3cccc4sc(cc34)C(N)=N)c3ccccc3)cc2)CC1 Show InChI InChI=1S/C30H33N5O3S/c1-34-14-16-35(17-15-34)19-21-10-12-23(13-11-21)33-30(36)37-20-26(22-6-3-2-4-7-22)38-25-8-5-9-27-24(25)18-28(39-27)29(31)32/h2-13,18,26H,14-17,19-20H2,1H3,(H3,31,32)(H,33,36) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Trigen Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant factor 9a by amidolytic assay |
J Med Chem 53: 1473-82 (2010)
Article DOI: 10.1021/jm901476x
BindingDB Entry DOI: 10.7270/Q2P84C0N |
More data for this
Ligand-Target Pair | |
Coagulation factor IX
(Homo sapiens (Human)) | BDBM50307301
(CHEMBL598400 | Phenyl-carbamic acid 2-(2-carbamimi...)Show SMILES NC(=N)c1cc2c(OC(COC(=O)Nc3ccccc3)c3ccccc3)cccc2s1 Show InChI InChI=1S/C24H21N3O3S/c25-23(26)22-14-18-19(12-7-13-21(18)31-22)30-20(16-8-3-1-4-9-16)15-29-24(28)27-17-10-5-2-6-11-17/h1-14,20H,15H2,(H3,25,26)(H,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Trigen Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant factor 9a by amidolytic assay |
J Med Chem 53: 1473-82 (2010)
Article DOI: 10.1021/jm901476x
BindingDB Entry DOI: 10.7270/Q2P84C0N |
More data for this
Ligand-Target Pair | |
Coagulation factor IX
(Homo sapiens (Human)) | BDBM50307271
((2,5-Dimethyl-2H-pyrazol-3-yl)-carbamic acid 2-(2-...)Show SMILES Cc1cc(NC(=O)OCC(Oc2cccc3sc(cc23)C(N)=N)c2ccccc2)n(C)n1 Show InChI InChI=1S/C23H23N5O3S/c1-14-11-21(28(2)27-14)26-23(29)30-13-18(15-7-4-3-5-8-15)31-17-9-6-10-19-16(17)12-20(32-19)22(24)25/h3-12,18H,13H2,1-2H3,(H3,24,25)(H,26,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Trigen Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant factor 9a by amidolytic assay |
J Med Chem 53: 1473-82 (2010)
Article DOI: 10.1021/jm901476x
BindingDB Entry DOI: 10.7270/Q2P84C0N |
More data for this
Ligand-Target Pair | |
Coagulation factor IX
(Homo sapiens (Human)) | BDBM50307275
(CHEMBL601231 | {4-[2-(2-Carbamimidoyl-benzo[b]thio...)Show SMILES COC(=O)Cn1nc(C)c(NC(=O)OCC(Oc2cccc3sc(cc23)C(N)=N)c2ccccc2)c1C Show InChI InChI=1S/C26H27N5O5S/c1-15-24(16(2)31(30-15)13-23(32)34-3)29-26(33)35-14-20(17-8-5-4-6-9-17)36-19-10-7-11-21-18(19)12-22(37-21)25(27)28/h4-12,20H,13-14H2,1-3H3,(H3,27,28)(H,29,33) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Trigen Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant factor 9a by amidolytic assay |
J Med Chem 53: 1473-82 (2010)
Article DOI: 10.1021/jm901476x
BindingDB Entry DOI: 10.7270/Q2P84C0N |
More data for this
Ligand-Target Pair | |
Coagulation factor IX
(Homo sapiens (Human)) | BDBM50307270
((3,5-Dimethyl-isoxazol-4-yl)-carbamic acid 2-(2-ca...)Show SMILES Cc1noc(C)c1NC(=O)OCC(Oc1cccc2sc(cc12)C(N)=N)c1ccccc1 Show InChI InChI=1S/C23H22N4O4S/c1-13-21(14(2)31-27-13)26-23(28)29-12-18(15-7-4-3-5-8-15)30-17-9-6-10-19-16(17)11-20(32-19)22(24)25/h3-11,18H,12H2,1-2H3,(H3,24,25)(H,26,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Trigen Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant factor 9a by amidolytic assay |
J Med Chem 53: 1473-82 (2010)
Article DOI: 10.1021/jm901476x
BindingDB Entry DOI: 10.7270/Q2P84C0N |
More data for this
Ligand-Target Pair | |
Coagulation factor IX
(Homo sapiens (Human)) | BDBM50307278
(CHEMBL602083 | Phenyl-carbamic acid 2-(2-carbamimi...)Show SMILES NC(=N)c1cc2c(OC(COC(=O)Nc3ccccc3)c3ccccc3)cc(F)cc2s1 Show InChI InChI=1S/C24H20FN3O3S/c25-16-11-19(18-13-22(23(26)27)32-21(18)12-16)31-20(15-7-3-1-4-8-15)14-30-24(29)28-17-9-5-2-6-10-17/h1-13,20H,14H2,(H3,26,27)(H,28,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 15.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Trigen Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant factor 9a by amidolytic assay |
J Med Chem 53: 1473-82 (2010)
Article DOI: 10.1021/jm901476x
BindingDB Entry DOI: 10.7270/Q2P84C0N |
More data for this
Ligand-Target Pair | |
Coagulation factor IX
(Homo sapiens (Human)) | BDBM50307304
((3-Fluoro-phenyl)-carbamic acid 2-(2-carbamimidoyl...)Show SMILES NC(=N)c1cc2c(OC(COC(=O)Nc3cccc(F)c3)c3ccccc3)cccc2s1 Show InChI InChI=1S/C24H20FN3O3S/c25-16-8-4-9-17(12-16)28-24(29)30-14-20(15-6-2-1-3-7-15)31-19-10-5-11-21-18(19)13-22(32-21)23(26)27/h1-13,20H,14H2,(H3,26,27)(H,28,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Trigen Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant factor 9a by amidolytic assay |
J Med Chem 53: 1473-82 (2010)
Article DOI: 10.1021/jm901476x
BindingDB Entry DOI: 10.7270/Q2P84C0N |
More data for this
Ligand-Target Pair | |
Coagulation factor IX
(Homo sapiens (Human)) | BDBM50307300
(CHEMBL606194 | Ethyl-carbamic acid 2-(2-carbamimid...)Show SMILES CCNC(=O)OCC(Oc1cccc2sc(cc12)C(N)=N)c1ccccc1 Show InChI InChI=1S/C20H21N3O3S/c1-2-23-20(24)25-12-16(13-7-4-3-5-8-13)26-15-9-6-10-17-14(15)11-18(27-17)19(21)22/h3-11,16H,2,12H2,1H3,(H3,21,22)(H,23,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 28 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Trigen Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant factor 9a by amidolytic assay |
J Med Chem 53: 1473-82 (2010)
Article DOI: 10.1021/jm901476x
BindingDB Entry DOI: 10.7270/Q2P84C0N |
More data for this
Ligand-Target Pair | |
Coagulation factor IX
(Homo sapiens (Human)) | BDBM50307297
(4-[1-Phenyl-2-(3-phenyl-ureido)-ethoxy]-benzo[b]th...)Show SMILES NC(=N)c1cc2c(OC(CNC(=O)Nc3ccccc3)c3ccccc3)cccc2s1 Show InChI InChI=1S/C24H22N4O2S/c25-23(26)22-14-18-19(12-7-13-21(18)31-22)30-20(16-8-3-1-4-9-16)15-27-24(29)28-17-10-5-2-6-11-17/h1-14,20H,15H2,(H3,25,26)(H2,27,28,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| 29 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Trigen Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant factor 9a by amidolytic assay |
J Med Chem 53: 1473-82 (2010)
Article DOI: 10.1021/jm901476x
BindingDB Entry DOI: 10.7270/Q2P84C0N |
More data for this
Ligand-Target Pair | |
Coagulation factor IX
(Homo sapiens (Human)) | BDBM50307309
((S)-(4-Methoxy-phenyl)-carbamic acid 2-(2-carbamim...)Show SMILES COc1ccc(NC(=O)OC[C@@H](Oc2cccc3sc(cc23)C(N)=N)c2ccccc2)cc1 |r| Show InChI InChI=1S/C25H23N3O4S/c1-30-18-12-10-17(11-13-18)28-25(29)31-15-21(16-6-3-2-4-7-16)32-20-8-5-9-22-19(20)14-23(33-22)24(26)27/h2-14,21H,15H2,1H3,(H3,26,27)(H,28,29)/t21-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 35 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Trigen Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant factor 9a by amidolytic assay |
J Med Chem 53: 1473-82 (2010)
Article DOI: 10.1021/jm901476x
BindingDB Entry DOI: 10.7270/Q2P84C0N |
More data for this
Ligand-Target Pair | |
Coagulation factor IX
(Homo sapiens (Human)) | BDBM50307296
(CHEMBL597370 | [2-(2-Carbamimidoyl-benzo[b]thiophe...)Show SMILES NC(=N)c1cc2c(OC(CNC(=O)Oc3ccccc3)c3ccccc3)cccc2s1 Show InChI InChI=1S/C24H21N3O3S/c25-23(26)22-14-18-19(12-7-13-21(18)31-22)30-20(16-8-3-1-4-9-16)15-27-24(28)29-17-10-5-2-6-11-17/h1-14,20H,15H2,(H3,25,26)(H,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Trigen Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant factor 9a by amidolytic assay |
J Med Chem 53: 1473-82 (2010)
Article DOI: 10.1021/jm901476x
BindingDB Entry DOI: 10.7270/Q2P84C0N |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50307289
(2-(2-Carbamimidoyl-benzo[b]thiophen-4-yloxy)-N-(4-...)Show SMILES COc1ccc(NC(=O)C(Oc2cccc3sc(cc23)C(N)=N)c2ccccc2)cc1 Show InChI InChI=1S/C24H21N3O3S/c1-29-17-12-10-16(11-13-17)27-24(28)22(15-6-3-2-4-7-15)30-19-8-5-9-20-18(19)14-21(31-20)23(25)26/h2-14,22H,1H3,(H3,25,26)(H,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 52 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Trigen Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of factor 10a by amidolytic assay |
J Med Chem 53: 1473-82 (2010)
Article DOI: 10.1021/jm901476x
BindingDB Entry DOI: 10.7270/Q2P84C0N |
More data for this
Ligand-Target Pair | |
Urokinase-type plasminogen activator
(Homo sapiens (Human)) | BDBM50307274
((3,5-Dimethyl-1H-pyrazol-4-yl)-carbamic acid 2-(2-...)Show SMILES Cc1n[nH]c(C)c1NC(=O)OCC(Oc1cccc2sc(cc12)C(N)=N)c1ccccc1 Show InChI InChI=1S/C23H23N5O3S/c1-13-21(14(2)28-27-13)26-23(29)30-12-18(15-7-4-3-5-8-15)31-17-9-6-10-19-16(17)11-20(32-19)22(24)25/h3-11,18H,12H2,1-2H3,(H3,24,25)(H,26,29)(H,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 58 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Trigen Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of uPA |
J Med Chem 53: 1473-82 (2010)
Article DOI: 10.1021/jm901476x
BindingDB Entry DOI: 10.7270/Q2P84C0N |
More data for this
Ligand-Target Pair | |
Urokinase-type plasminogen activator
(Homo sapiens (Human)) | BDBM50307275
(CHEMBL601231 | {4-[2-(2-Carbamimidoyl-benzo[b]thio...)Show SMILES COC(=O)Cn1nc(C)c(NC(=O)OCC(Oc2cccc3sc(cc23)C(N)=N)c2ccccc2)c1C Show InChI InChI=1S/C26H27N5O5S/c1-15-24(16(2)31(30-15)13-23(32)34-3)29-26(33)35-14-20(17-8-5-4-6-9-17)36-19-10-7-11-21-18(19)12-22(37-21)25(27)28/h4-12,20H,13-14H2,1-3H3,(H3,27,28)(H,29,33) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 59 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Trigen Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of uPA |
J Med Chem 53: 1473-82 (2010)
Article DOI: 10.1021/jm901476x
BindingDB Entry DOI: 10.7270/Q2P84C0N |
More data for this
Ligand-Target Pair | |
Coagulation factor IX
(Homo sapiens (Human)) | BDBM50307302
(Benzyl-carbamic acid 2-(2-carbamimidoyl-benzo[b]th...)Show SMILES NC(=N)c1cc2c(OC(COC(=O)NCc3ccccc3)c3ccccc3)cccc2s1 Show InChI InChI=1S/C25H23N3O3S/c26-24(27)23-14-19-20(12-7-13-22(19)32-23)31-21(18-10-5-2-6-11-18)16-30-25(29)28-15-17-8-3-1-4-9-17/h1-14,21H,15-16H2,(H3,26,27)(H,28,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 61 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Trigen Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant factor 9a by amidolytic assay |
J Med Chem 53: 1473-82 (2010)
Article DOI: 10.1021/jm901476x
BindingDB Entry DOI: 10.7270/Q2P84C0N |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50307287
(2-(2-Carbamimidoyl-benzo[b]thiophen-4-yloxy)-N-(2-...)Show SMILES COc1ccccc1NC(=O)C(Oc1cccc2sc(cc12)C(N)=N)c1ccccc1 Show InChI InChI=1S/C24H21N3O3S/c1-29-19-11-6-5-10-17(19)27-24(28)22(15-8-3-2-4-9-15)30-18-12-7-13-20-16(18)14-21(31-20)23(25)26/h2-14,22H,1H3,(H3,25,26)(H,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Trigen Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of factor 10a by amidolytic assay |
J Med Chem 53: 1473-82 (2010)
Article DOI: 10.1021/jm901476x
BindingDB Entry DOI: 10.7270/Q2P84C0N |
More data for this
Ligand-Target Pair | |
Urokinase-type plasminogen activator
(Homo sapiens (Human)) | BDBM50307296
(CHEMBL597370 | [2-(2-Carbamimidoyl-benzo[b]thiophe...)Show SMILES NC(=N)c1cc2c(OC(CNC(=O)Oc3ccccc3)c3ccccc3)cccc2s1 Show InChI InChI=1S/C24H21N3O3S/c25-23(26)22-14-18-19(12-7-13-21(18)31-22)30-20(16-8-3-1-4-9-16)15-27-24(28)29-17-10-5-2-6-11-17/h1-14,20H,15H2,(H3,25,26)(H,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 85 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Trigen Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of uPA |
J Med Chem 53: 1473-82 (2010)
Article DOI: 10.1021/jm901476x
BindingDB Entry DOI: 10.7270/Q2P84C0N |
More data for this
Ligand-Target Pair | |
Urokinase-type plasminogen activator
(Homo sapiens (Human)) | BDBM50307308
((R)-(4-Methoxy-phenyl)-carbamic acid 2-(2-carbamim...)Show SMILES COc1ccc(NC(=O)OC[C@H](Oc2cccc3sc(cc23)C(N)=N)c2ccccc2)cc1 |r| Show InChI InChI=1S/C25H23N3O4S/c1-30-18-12-10-17(11-13-18)28-25(29)31-15-21(16-6-3-2-4-7-16)32-20-8-5-9-22-19(20)14-23(33-22)24(26)27/h2-14,21H,15H2,1H3,(H3,26,27)(H,28,29)/t21-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 89 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Trigen Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of uPA |
J Med Chem 53: 1473-82 (2010)
Article DOI: 10.1021/jm901476x
BindingDB Entry DOI: 10.7270/Q2P84C0N |
More data for this
Ligand-Target Pair | |
Coagulation factor IX
(Homo sapiens (Human)) | BDBM50307299
(CHEMBL599415 | Methyl-carbamic acid 2-(2-carbamimi...)Show InChI InChI=1S/C19H19N3O3S/c1-22-19(23)24-11-15(12-6-3-2-4-7-12)25-14-8-5-9-16-13(14)10-17(26-16)18(20)21/h2-10,15H,11H2,1H3,(H3,20,21)(H,22,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 97 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Trigen Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant factor 9a by amidolytic assay |
J Med Chem 53: 1473-82 (2010)
Article DOI: 10.1021/jm901476x
BindingDB Entry DOI: 10.7270/Q2P84C0N |
More data for this
Ligand-Target Pair | |
Coagulation factor IX
(Homo sapiens (Human)) | BDBM50307295
(4-(2-Benzylamino-1-phenyl-ethoxy)-benzo[b]thiophen...)Show SMILES NC(=N)c1cc2c(OC(CNCc3ccccc3)c3ccccc3)cccc2s1 Show InChI InChI=1S/C24H23N3OS/c25-24(26)23-14-19-20(12-7-13-22(19)29-23)28-21(18-10-5-2-6-11-18)16-27-15-17-8-3-1-4-9-17/h1-14,21,27H,15-16H2,(H3,25,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Trigen Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant factor 9a by amidolytic assay |
J Med Chem 53: 1473-82 (2010)
Article DOI: 10.1021/jm901476x
BindingDB Entry DOI: 10.7270/Q2P84C0N |
More data for this
Ligand-Target Pair | |
Urokinase-type plasminogen activator
(Homo sapiens (Human)) | BDBM50307272
((5-Methoxymethyl-2-methyl-2H-pyrazol-3-yl)-carbami...)Show SMILES COCc1cc(NC(=O)OCC(Oc2cccc3sc(cc23)C(N)=N)c2ccccc2)n(C)n1 Show InChI InChI=1S/C24H25N5O4S/c1-29-22(11-16(28-29)13-31-2)27-24(30)32-14-19(15-7-4-3-5-8-15)33-18-9-6-10-20-17(18)12-21(34-20)23(25)26/h3-12,19H,13-14H2,1-2H3,(H3,25,26)(H,27,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 109 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Trigen Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of uPA |
J Med Chem 53: 1473-82 (2010)
Article DOI: 10.1021/jm901476x
BindingDB Entry DOI: 10.7270/Q2P84C0N |
More data for this
Ligand-Target Pair | |
Urokinase-type plasminogen activator
(Homo sapiens (Human)) | BDBM50307287
(2-(2-Carbamimidoyl-benzo[b]thiophen-4-yloxy)-N-(2-...)Show SMILES COc1ccccc1NC(=O)C(Oc1cccc2sc(cc12)C(N)=N)c1ccccc1 Show InChI InChI=1S/C24H21N3O3S/c1-29-19-11-6-5-10-17(19)27-24(28)22(15-8-3-2-4-9-15)30-18-12-7-13-20-16(18)14-21(31-20)23(25)26/h2-14,22H,1H3,(H3,25,26)(H,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 120 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Trigen Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of uPA |
J Med Chem 53: 1473-82 (2010)
Article DOI: 10.1021/jm901476x
BindingDB Entry DOI: 10.7270/Q2P84C0N |
More data for this
Ligand-Target Pair | |
Urokinase-type plasminogen activator
(Homo sapiens (Human)) | BDBM50307292
(2-(2-Carbamimidoyl-benzo[b]thiophen-4-yloxy)-2-phe...)Show SMILES NC(=N)c1cc2c(OC(C(=O)Nc3ccc(cc3)C(=O)N3CCCC3)c3ccccc3)cccc2s1 Show InChI InChI=1S/C28H26N4O3S/c29-26(30)24-17-21-22(9-6-10-23(21)36-24)35-25(18-7-2-1-3-8-18)27(33)31-20-13-11-19(12-14-20)28(34)32-15-4-5-16-32/h1-3,6-14,17,25H,4-5,15-16H2,(H3,29,30)(H,31,33) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Trigen Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of uPA |
J Med Chem 53: 1473-82 (2010)
Article DOI: 10.1021/jm901476x
BindingDB Entry DOI: 10.7270/Q2P84C0N |
More data for this
Ligand-Target Pair | |
Coagulation factor IX
(Homo sapiens (Human)) | BDBM50307288
(2-(2-Carbamimidoyl-benzo[b]thiophen-4-yloxy)-N-(3-...)Show SMILES COc1cccc(NC(=O)C(Oc2cccc3sc(cc23)C(N)=N)c2ccccc2)c1 Show InChI InChI=1S/C24H21N3O3S/c1-29-17-10-5-9-16(13-17)27-24(28)22(15-7-3-2-4-8-15)30-19-11-6-12-20-18(19)14-21(31-20)23(25)26/h2-14,22H,1H3,(H3,25,26)(H,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Trigen Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant factor 9a by amidolytic assay |
J Med Chem 53: 1473-82 (2010)
Article DOI: 10.1021/jm901476x
BindingDB Entry DOI: 10.7270/Q2P84C0N |
More data for this
Ligand-Target Pair | |
Urokinase-type plasminogen activator
(Homo sapiens (Human)) | BDBM50307289
(2-(2-Carbamimidoyl-benzo[b]thiophen-4-yloxy)-N-(4-...)Show SMILES COc1ccc(NC(=O)C(Oc2cccc3sc(cc23)C(N)=N)c2ccccc2)cc1 Show InChI InChI=1S/C24H21N3O3S/c1-29-17-12-10-16(11-13-17)27-24(28)22(15-6-3-2-4-7-15)30-19-8-5-9-20-18(19)14-21(31-20)23(25)26/h2-14,22H,1H3,(H3,25,26)(H,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 140 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Trigen Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of uPA |
J Med Chem 53: 1473-82 (2010)
Article DOI: 10.1021/jm901476x
BindingDB Entry DOI: 10.7270/Q2P84C0N |
More data for this
Ligand-Target Pair | |
Coagulation factor IX
(Homo sapiens (Human)) | BDBM50307289
(2-(2-Carbamimidoyl-benzo[b]thiophen-4-yloxy)-N-(4-...)Show SMILES COc1ccc(NC(=O)C(Oc2cccc3sc(cc23)C(N)=N)c2ccccc2)cc1 Show InChI InChI=1S/C24H21N3O3S/c1-29-17-12-10-16(11-13-17)27-24(28)22(15-6-3-2-4-7-15)30-19-8-5-9-20-18(19)14-21(31-20)23(25)26/h2-14,22H,1H3,(H3,25,26)(H,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 140 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Trigen Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant factor 9a by amidolytic assay |
J Med Chem 53: 1473-82 (2010)
Article DOI: 10.1021/jm901476x
BindingDB Entry DOI: 10.7270/Q2P84C0N |
More data for this
Ligand-Target Pair | |
Urokinase-type plasminogen activator
(Homo sapiens (Human)) | BDBM50307285
(2-(2-Carbamimidoyl-benzo[b]thiophen-4-yloxy)-2,N-d...)Show SMILES NC(=N)c1cc2c(OC(C(=O)Nc3ccccc3)c3ccccc3)cccc2s1 Show InChI InChI=1S/C23H19N3O2S/c24-22(25)20-14-17-18(12-7-13-19(17)29-20)28-21(15-8-3-1-4-9-15)23(27)26-16-10-5-2-6-11-16/h1-14,21H,(H3,24,25)(H,26,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 140 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Trigen Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of uPA |
J Med Chem 53: 1473-82 (2010)
Article DOI: 10.1021/jm901476x
BindingDB Entry DOI: 10.7270/Q2P84C0N |
More data for this
Ligand-Target Pair | |
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