Found 48 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 |
|---|
Suppressor of tumorigenicity 14 protein
(Homo sapiens (Human)) | BDBM50444518
(CHEMBL3099587)Show SMILES N[C@H]1CC[C@@H](CC1)NC(=O)c1cc(Oc2ccc(cc2)C(N)=N)nc(Oc2ccc(cc2)C(N)=N)c1 |r,wU:4.7,wD:1.0,(26.14,-7.69,;26.15,-9.23,;24.81,-9.99,;24.81,-11.54,;26.14,-12.31,;27.48,-11.54,;27.47,-9.99,;26.15,-13.85,;27.48,-14.62,;28.81,-13.85,;27.48,-16.16,;28.82,-16.93,;28.82,-18.47,;30.16,-19.26,;31.5,-18.49,;31.51,-16.95,;32.84,-16.18,;34.19,-16.96,;34.17,-18.5,;32.83,-19.26,;35.55,-16.2,;35.59,-14.65,;36.88,-17,;27.48,-19.24,;26.15,-18.47,;24.81,-19.25,;24.82,-20.8,;26.15,-21.56,;26.15,-23.11,;24.82,-23.88,;23.49,-23.11,;23.49,-21.57,;24.81,-25.41,;23.47,-26.17,;26.13,-26.2,;26.16,-16.92,)| Show InChI InChI=1S/C26H29N7O3/c27-18-5-7-19(8-6-18)32-26(34)17-13-22(35-20-9-1-15(2-10-20)24(28)29)33-23(14-17)36-21-11-3-16(4-12-21)25(30)31/h1-4,9-14,18-19H,5-8,27H2,(H3,28,29)(H3,30,31)(H,32,34)/t18-,19- | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| 40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aurigene Discovery Technologies Limited
Curated by ChEMBL
| Assay Description
Inhibition of matriptase-SP1 (615 to 855) (unknown origin) expressed in Escherichia coli BL21(DE3) using Boc-Gln-Ala-Arg-7-amido-4-methyl coumarin hy... |
ACS Med Chem Lett 4: 1152-7 (2013)
Article DOI: 10.1021/ml400213v
BindingDB Entry DOI: 10.7270/Q29S1SHZ |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Suppressor of tumorigenicity 14 protein
(Homo sapiens (Human)) | BDBM50444519
(CHEMBL3099586)Show SMILES NCCCN1CCC(CC1)NC(=O)c1cc(Oc2ccc(cc2)C(N)=N)nc(Oc2ccc(cc2)C(N)=N)c1 Show InChI InChI=1S/C28H34N8O3/c29-12-1-13-36-14-10-21(11-15-36)34-28(37)20-16-24(38-22-6-2-18(3-7-22)26(30)31)35-25(17-20)39-23-8-4-19(5-9-23)27(32)33/h2-9,16-17,21H,1,10-15,29H2,(H3,30,31)(H3,32,33)(H,34,37) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aurigene Discovery Technologies Limited
Curated by ChEMBL
| Assay Description
Inhibition of matriptase-SP1 (615 to 855) (unknown origin) expressed in Escherichia coli BL21(DE3) using Boc-Gln-Ala-Arg-7-amido-4-methyl coumarin hy... |
ACS Med Chem Lett 4: 1152-7 (2013)
Article DOI: 10.1021/ml400213v
BindingDB Entry DOI: 10.7270/Q29S1SHZ |
More data for this
Ligand-Target Pair | |
Suppressor of tumorigenicity 14 protein
(Homo sapiens (Human)) | BDBM50444526
(CHEMBL3099812)Show SMILES NC(=N)c1ccc(Oc2ccc(NS(=O)(=O)c3ccc4ccccc4c3)c(Oc3ccc(cc3)C(N)=N)n2)cc1 Show InChI InChI=1S/C29H24N6O4S/c30-27(31)19-5-10-22(11-6-19)38-26-16-15-25(29(34-26)39-23-12-7-20(8-13-23)28(32)33)35-40(36,37)24-14-9-18-3-1-2-4-21(18)17-24/h1-17,35H,(H3,30,31)(H3,32,33) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| 40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aurigene Discovery Technologies Limited
Curated by ChEMBL
| Assay Description
Inhibition of matriptase-SP1 (615 to 855) (unknown origin) expressed in Escherichia coli BL21(DE3) using Boc-Gln-Ala-Arg-7-amido-4-methyl coumarin hy... |
ACS Med Chem Lett 4: 1152-7 (2013)
Article DOI: 10.1021/ml400213v
BindingDB Entry DOI: 10.7270/Q29S1SHZ |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50444519
(CHEMBL3099586)Show SMILES NCCCN1CCC(CC1)NC(=O)c1cc(Oc2ccc(cc2)C(N)=N)nc(Oc2ccc(cc2)C(N)=N)c1 Show InChI InChI=1S/C28H34N8O3/c29-12-1-13-36-14-10-21(11-15-36)34-28(37)20-16-24(38-22-6-2-18(3-7-22)26(30)31)35-25(17-20)39-23-8-4-19(5-9-23)27(32)33/h2-9,16-17,21H,1,10-15,29H2,(H3,30,31)(H3,32,33)(H,34,37) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aurigene Discovery Technologies Limited
Curated by ChEMBL
| Assay Description
Inhibition of factor 10a (unknown origin) using CH3OCO-D-CHA-Gly-Arg-pNA.AcoH as substrate |
ACS Med Chem Lett 4: 1152-7 (2013)
Article DOI: 10.1021/ml400213v
BindingDB Entry DOI: 10.7270/Q29S1SHZ |
More data for this
Ligand-Target Pair | |
Suppressor of tumorigenicity 14 protein
(Homo sapiens (Human)) | BDBM50444520
(CHEMBL3099585)Show SMILES NCCC1CCN(CC1)C(=O)c1cc(Oc2ccc(cc2)C(N)=N)nc(Oc2ccc(cc2)C(N)=N)c1 Show InChI InChI=1S/C27H31N7O3/c28-12-9-17-10-13-34(14-11-17)27(35)20-15-23(36-21-5-1-18(2-6-21)25(29)30)33-24(16-20)37-22-7-3-19(4-8-22)26(31)32/h1-8,15-17H,9-14,28H2,(H3,29,30)(H3,31,32) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aurigene Discovery Technologies Limited
Curated by ChEMBL
| Assay Description
Inhibition of matriptase-SP1 (615 to 855) (unknown origin) expressed in Escherichia coli BL21(DE3) using Boc-Gln-Ala-Arg-7-amido-4-methyl coumarin hy... |
ACS Med Chem Lett 4: 1152-7 (2013)
Article DOI: 10.1021/ml400213v
BindingDB Entry DOI: 10.7270/Q29S1SHZ |
More data for this
Ligand-Target Pair | |
Suppressor of tumorigenicity 14 protein
(Homo sapiens (Human)) | BDBM50444525
(CHEMBL3099813)Show SMILES NC(=N)c1ccc(Oc2ccc(NS(=O)(=O)c3cccc4cccnc34)c(Oc3ccc(cc3)C(N)=N)n2)cc1 Show InChI InChI=1S/C28H23N7O4S/c29-26(30)18-6-10-20(11-7-18)38-24-15-14-22(28(34-24)39-21-12-8-19(9-13-21)27(31)32)35-40(36,37)23-5-1-3-17-4-2-16-33-25(17)23/h1-16,35H,(H3,29,30)(H3,31,32) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aurigene Discovery Technologies Limited
Curated by ChEMBL
| Assay Description
Inhibition of matriptase-SP1 (615 to 855) (unknown origin) expressed in Escherichia coli BL21(DE3) using Boc-Gln-Ala-Arg-7-amido-4-methyl coumarin hy... |
ACS Med Chem Lett 4: 1152-7 (2013)
Article DOI: 10.1021/ml400213v
BindingDB Entry DOI: 10.7270/Q29S1SHZ |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50444520
(CHEMBL3099585)Show SMILES NCCC1CCN(CC1)C(=O)c1cc(Oc2ccc(cc2)C(N)=N)nc(Oc2ccc(cc2)C(N)=N)c1 Show InChI InChI=1S/C27H31N7O3/c28-12-9-17-10-13-34(14-11-17)27(35)20-15-23(36-21-5-1-18(2-6-21)25(29)30)33-24(16-20)37-22-7-3-19(4-8-22)26(31)32/h1-8,15-17H,9-14,28H2,(H3,29,30)(H3,31,32) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aurigene Discovery Technologies Limited
Curated by ChEMBL
| Assay Description
Inhibition of factor 10a (unknown origin) using CH3OCO-D-CHA-Gly-Arg-pNA.AcoH as substrate |
ACS Med Chem Lett 4: 1152-7 (2013)
Article DOI: 10.1021/ml400213v
BindingDB Entry DOI: 10.7270/Q29S1SHZ |
More data for this
Ligand-Target Pair | |
Suppressor of tumorigenicity 14 protein
(Homo sapiens (Human)) | BDBM50444521
(CHEMBL3099584)Show SMILES NCCC1CCN(CC1)C(=O)c1ccc(Oc2ccc(cc2)C(N)=N)nc1Oc1ccc(cc1)C(N)=N Show InChI InChI=1S/C27H31N7O3/c28-14-11-17-12-15-34(16-13-17)27(35)22-9-10-23(36-20-5-1-18(2-6-20)24(29)30)33-26(22)37-21-7-3-19(4-8-21)25(31)32/h1-10,17H,11-16,28H2,(H3,29,30)(H3,31,32) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aurigene Discovery Technologies Limited
Curated by ChEMBL
| Assay Description
Inhibition of matriptase-SP1 (615 to 855) (unknown origin) expressed in Escherichia coli BL21(DE3) using Boc-Gln-Ala-Arg-7-amido-4-methyl coumarin hy... |
ACS Med Chem Lett 4: 1152-7 (2013)
Article DOI: 10.1021/ml400213v
BindingDB Entry DOI: 10.7270/Q29S1SHZ |
More data for this
Ligand-Target Pair | |
Suppressor of tumorigenicity 14 protein
(Homo sapiens (Human)) | BDBM50444528
(CHEMBL3099589)Show SMILES NC(=N)c1ccc(Oc2ccc(NS(=O)(=O)c3ccc(F)cc3)c(Oc3ccc(cc3)C(N)=N)n2)cc1 Show InChI InChI=1S/C25H21FN6O4S/c26-17-5-11-20(12-6-17)37(33,34)32-21-13-14-22(35-18-7-1-15(2-8-18)23(27)28)31-25(21)36-19-9-3-16(4-10-19)24(29)30/h1-14,32H,(H3,27,28)(H3,29,30) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| 200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aurigene Discovery Technologies Limited
Curated by ChEMBL
| Assay Description
Inhibition of matriptase-SP1 (615 to 855) (unknown origin) expressed in Escherichia coli BL21(DE3) using Boc-Gln-Ala-Arg-7-amido-4-methyl coumarin hy... |
ACS Med Chem Lett 4: 1152-7 (2013)
Article DOI: 10.1021/ml400213v
BindingDB Entry DOI: 10.7270/Q29S1SHZ |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50444528
(CHEMBL3099589)Show SMILES NC(=N)c1ccc(Oc2ccc(NS(=O)(=O)c3ccc(F)cc3)c(Oc3ccc(cc3)C(N)=N)n2)cc1 Show InChI InChI=1S/C25H21FN6O4S/c26-17-5-11-20(12-6-17)37(33,34)32-21-13-14-22(35-18-7-1-15(2-8-18)23(27)28)31-25(21)36-19-9-3-16(4-10-19)24(29)30/h1-14,32H,(H3,27,28)(H3,29,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| 300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aurigene Discovery Technologies Limited
Curated by ChEMBL
| Assay Description
Inhibition of factor 10a (unknown origin) using CH3OCO-D-CHA-Gly-Arg-pNA.AcoH as substrate |
ACS Med Chem Lett 4: 1152-7 (2013)
Article DOI: 10.1021/ml400213v
BindingDB Entry DOI: 10.7270/Q29S1SHZ |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50444522
(CHEMBL3099583)Show SMILES NCCCNC(=O)c1ccc(Oc2ccc(cc2)C(N)=N)nc1Oc1ccc(cc1)C(N)=N Show InChI InChI=1S/C23H25N7O3/c24-12-1-13-29-22(31)18-10-11-19(32-16-6-2-14(3-7-16)20(25)26)30-23(18)33-17-8-4-15(5-9-17)21(27)28/h2-11H,1,12-13,24H2,(H3,25,26)(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
Similars
| Article
PubMed
| 300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aurigene Discovery Technologies Limited
Curated by ChEMBL
| Assay Description
Inhibition of factor 10a (unknown origin) using CH3OCO-D-CHA-Gly-Arg-pNA.AcoH as substrate |
ACS Med Chem Lett 4: 1152-7 (2013)
Article DOI: 10.1021/ml400213v
BindingDB Entry DOI: 10.7270/Q29S1SHZ |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50444526
(CHEMBL3099812)Show SMILES NC(=N)c1ccc(Oc2ccc(NS(=O)(=O)c3ccc4ccccc4c3)c(Oc3ccc(cc3)C(N)=N)n2)cc1 Show InChI InChI=1S/C29H24N6O4S/c30-27(31)19-5-10-22(11-6-19)38-26-16-15-25(29(34-26)39-23-12-7-20(8-13-23)28(32)33)35-40(36,37)24-14-9-18-3-1-2-4-21(18)17-24/h1-17,35H,(H3,30,31)(H3,32,33) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| 300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aurigene Discovery Technologies Limited
Curated by ChEMBL
| Assay Description
Inhibition of factor 10a (unknown origin) using CH3OCO-D-CHA-Gly-Arg-pNA.AcoH as substrate |
ACS Med Chem Lett 4: 1152-7 (2013)
Article DOI: 10.1021/ml400213v
BindingDB Entry DOI: 10.7270/Q29S1SHZ |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50444518
(CHEMBL3099587)Show SMILES N[C@H]1CC[C@@H](CC1)NC(=O)c1cc(Oc2ccc(cc2)C(N)=N)nc(Oc2ccc(cc2)C(N)=N)c1 |r,wU:4.7,wD:1.0,(26.14,-7.69,;26.15,-9.23,;24.81,-9.99,;24.81,-11.54,;26.14,-12.31,;27.48,-11.54,;27.47,-9.99,;26.15,-13.85,;27.48,-14.62,;28.81,-13.85,;27.48,-16.16,;28.82,-16.93,;28.82,-18.47,;30.16,-19.26,;31.5,-18.49,;31.51,-16.95,;32.84,-16.18,;34.19,-16.96,;34.17,-18.5,;32.83,-19.26,;35.55,-16.2,;35.59,-14.65,;36.88,-17,;27.48,-19.24,;26.15,-18.47,;24.81,-19.25,;24.82,-20.8,;26.15,-21.56,;26.15,-23.11,;24.82,-23.88,;23.49,-23.11,;23.49,-21.57,;24.81,-25.41,;23.47,-26.17,;26.13,-26.2,;26.16,-16.92,)| Show InChI InChI=1S/C26H29N7O3/c27-18-5-7-19(8-6-18)32-26(34)17-13-22(35-20-9-1-15(2-10-20)24(28)29)33-23(14-17)36-21-11-3-16(4-12-21)25(30)31/h1-4,9-14,18-19H,5-8,27H2,(H3,28,29)(H3,30,31)(H,32,34)/t18-,19- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| 400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aurigene Discovery Technologies Limited
Curated by ChEMBL
| Assay Description
Inhibition of factor 10a (unknown origin) using CH3OCO-D-CHA-Gly-Arg-pNA.AcoH as substrate |
ACS Med Chem Lett 4: 1152-7 (2013)
Article DOI: 10.1021/ml400213v
BindingDB Entry DOI: 10.7270/Q29S1SHZ |
More data for this
Ligand-Target Pair | |
Suppressor of tumorigenicity 14 protein
(Homo sapiens (Human)) | BDBM50444522
(CHEMBL3099583)Show SMILES NCCCNC(=O)c1ccc(Oc2ccc(cc2)C(N)=N)nc1Oc1ccc(cc1)C(N)=N Show InChI InChI=1S/C23H25N7O3/c24-12-1-13-29-22(31)18-10-11-19(32-16-6-2-14(3-7-16)20(25)26)30-23(18)33-17-8-4-15(5-9-17)21(27)28/h2-11H,1,12-13,24H2,(H3,25,26)(H3,27,28)(H,29,31) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aurigene Discovery Technologies Limited
Curated by ChEMBL
| Assay Description
Inhibition of matriptase-SP1 (615 to 855) (unknown origin) expressed in Escherichia coli BL21(DE3) using Boc-Gln-Ala-Arg-7-amido-4-methyl coumarin hy... |
ACS Med Chem Lett 4: 1152-7 (2013)
Article DOI: 10.1021/ml400213v
BindingDB Entry DOI: 10.7270/Q29S1SHZ |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50066618
(4-{6-[4-amino(imino)methylphenoxy]-2-pyridyloxy}ph...)Show SMILES NC(=N)c1ccc(Oc2cccc(Oc3ccc(cc3)C(N)=N)n2)cc1 Show InChI InChI=1S/C19H17N5O2/c20-18(21)12-4-8-14(9-5-12)25-16-2-1-3-17(24-16)26-15-10-6-13(7-11-15)19(22)23/h1-11H,(H3,20,21)(H3,22,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aurigene Discovery Technologies Limited
Curated by ChEMBL
| Assay Description
Inhibition of factor 10a (unknown origin) using CH3OCO-D-CHA-Gly-Arg-pNA.AcoH as substrate |
ACS Med Chem Lett 4: 1152-7 (2013)
Article DOI: 10.1021/ml400213v
BindingDB Entry DOI: 10.7270/Q29S1SHZ |
More data for this
Ligand-Target Pair | |
Suppressor of tumorigenicity 14 protein
(Homo sapiens (Human)) | BDBM50444524
(CHEMBL3099814)Show SMILES N[C@H]1CC[C@@H](CC1)NC(=O)c1ccc(Oc2ccc(cc2)C(N)=N)nc1Oc1ccc(cc1)C(N)=N |r,wU:4.7,wD:1.0,(46.68,-10.38,;45.36,-11.18,;44.01,-10.43,;42.69,-11.22,;42.72,-12.76,;44.06,-13.51,;45.38,-12.72,;41.4,-13.56,;40.05,-12.81,;40.02,-11.27,;38.73,-13.6,;37.38,-12.86,;36.06,-13.65,;36.09,-15.19,;34.77,-15.98,;33.42,-15.23,;33.4,-13.7,;32.05,-12.95,;30.73,-13.74,;30.76,-15.28,;32.1,-16.03,;29.38,-13,;28.06,-13.79,;29.36,-11.46,;37.44,-15.94,;38.76,-15.14,;40.1,-15.89,;40.13,-17.43,;41.48,-18.17,;41.5,-19.71,;40.18,-20.51,;38.84,-19.76,;38.81,-18.22,;40.21,-22.05,;41.56,-22.79,;38.89,-22.84,)| Show InChI InChI=1S/C26H29N7O3/c27-17-5-7-18(8-6-17)32-25(34)21-13-14-22(35-19-9-1-15(2-10-19)23(28)29)33-26(21)36-20-11-3-16(4-12-20)24(30)31/h1-4,9-14,17-18H,5-8,27H2,(H3,28,29)(H3,30,31)(H,32,34)/t17-,18- | PDB
MMDB
KEGG
UniProtKB/SwissProt
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DrugBank
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 500 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aurigene Discovery Technologies Limited
Curated by ChEMBL
| Assay Description
Inhibition of matriptase-SP1 (615 to 855) (unknown origin) expressed in Escherichia coli BL21(DE3) using Boc-Gln-Ala-Arg-7-amido-4-methyl coumarin hy... |
ACS Med Chem Lett 4: 1152-7 (2013)
Article DOI: 10.1021/ml400213v
BindingDB Entry DOI: 10.7270/Q29S1SHZ |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50066618
(4-{6-[4-amino(imino)methylphenoxy]-2-pyridyloxy}ph...)Show SMILES NC(=N)c1ccc(Oc2cccc(Oc3ccc(cc3)C(N)=N)n2)cc1 Show InChI InChI=1S/C19H17N5O2/c20-18(21)12-4-8-14(9-5-12)25-16-2-1-3-17(24-16)26-15-10-6-13(7-11-15)19(22)23/h1-11H,(H3,20,21)(H3,22,23) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aurigene Discovery Technologies Limited
Curated by ChEMBL
| Assay Description
Inhibition of thrombin (unknown origin) by fluorescence assay |
ACS Med Chem Lett 4: 1152-7 (2013)
Article DOI: 10.1021/ml400213v
BindingDB Entry DOI: 10.7270/Q29S1SHZ |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50444524
(CHEMBL3099814)Show SMILES N[C@H]1CC[C@@H](CC1)NC(=O)c1ccc(Oc2ccc(cc2)C(N)=N)nc1Oc1ccc(cc1)C(N)=N |r,wU:4.7,wD:1.0,(46.68,-10.38,;45.36,-11.18,;44.01,-10.43,;42.69,-11.22,;42.72,-12.76,;44.06,-13.51,;45.38,-12.72,;41.4,-13.56,;40.05,-12.81,;40.02,-11.27,;38.73,-13.6,;37.38,-12.86,;36.06,-13.65,;36.09,-15.19,;34.77,-15.98,;33.42,-15.23,;33.4,-13.7,;32.05,-12.95,;30.73,-13.74,;30.76,-15.28,;32.1,-16.03,;29.38,-13,;28.06,-13.79,;29.36,-11.46,;37.44,-15.94,;38.76,-15.14,;40.1,-15.89,;40.13,-17.43,;41.48,-18.17,;41.5,-19.71,;40.18,-20.51,;38.84,-19.76,;38.81,-18.22,;40.21,-22.05,;41.56,-22.79,;38.89,-22.84,)| Show InChI InChI=1S/C26H29N7O3/c27-17-5-7-18(8-6-17)32-25(34)21-13-14-22(35-19-9-1-15(2-10-19)23(28)29)33-26(21)36-20-11-3-16(4-12-20)24(30)31/h1-4,9-14,17-18H,5-8,27H2,(H3,28,29)(H3,30,31)(H,32,34)/t17-,18- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aurigene Discovery Technologies Limited
Curated by ChEMBL
| Assay Description
Inhibition of factor 10a (unknown origin) using CH3OCO-D-CHA-Gly-Arg-pNA.AcoH as substrate |
ACS Med Chem Lett 4: 1152-7 (2013)
Article DOI: 10.1021/ml400213v
BindingDB Entry DOI: 10.7270/Q29S1SHZ |
More data for this
Ligand-Target Pair | |
Suppressor of tumorigenicity 14 protein
(Homo sapiens (Human)) | BDBM50444523
(CHEMBL3100168)Show SMILES NCCC(=O)N1CCC(CC1)NC(=O)c1ccc(Oc2ccc(cc2)C(N)=N)nc1Oc1ccc(cc1)C(N)=N Show InChI InChI=1S/C28H32N8O4/c29-14-11-24(37)36-15-12-19(13-16-36)34-27(38)22-9-10-23(39-20-5-1-17(2-6-20)25(30)31)35-28(22)40-21-7-3-18(4-8-21)26(32)33/h1-10,19H,11-16,29H2,(H3,30,31)(H3,32,33)(H,34,38) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aurigene Discovery Technologies Limited
Curated by ChEMBL
| Assay Description
Inhibition of matriptase-SP1 (615 to 855) (unknown origin) expressed in Escherichia coli BL21(DE3) using Boc-Gln-Ala-Arg-7-amido-4-methyl coumarin hy... |
ACS Med Chem Lett 4: 1152-7 (2013)
Article DOI: 10.1021/ml400213v
BindingDB Entry DOI: 10.7270/Q29S1SHZ |
More data for this
Ligand-Target Pair | |
Suppressor of tumorigenicity 14 protein
(Homo sapiens (Human)) | BDBM50444527
(CHEMBL3099811)Show SMILES NC(=N)c1ccc(Oc2ccc(NS(=O)(=O)c3cc(F)cc(F)c3)c(Oc3ccc(cc3)C(N)=N)n2)cc1 Show InChI InChI=1S/C25H20F2N6O4S/c26-16-11-17(27)13-20(12-16)38(34,35)33-21-9-10-22(36-18-5-1-14(2-6-18)23(28)29)32-25(21)37-19-7-3-15(4-8-19)24(30)31/h1-13,33H,(H3,28,29)(H3,30,31) | PDB
MMDB
KEGG
UniProtKB/SwissProt
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DrugBank
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aurigene Discovery Technologies Limited
Curated by ChEMBL
| Assay Description
Inhibition of matriptase-SP1 (615 to 855) (unknown origin) expressed in Escherichia coli BL21(DE3) using Boc-Gln-Ala-Arg-7-amido-4-methyl coumarin hy... |
ACS Med Chem Lett 4: 1152-7 (2013)
Article DOI: 10.1021/ml400213v
BindingDB Entry DOI: 10.7270/Q29S1SHZ |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50444529
(CHEMBL3099588)Show SMILES NC(=N)c1ccc(Oc2ccc(N)c(Oc3ccc(cc3)C(N)=N)n2)cc1 Show InChI InChI=1S/C19H18N6O2/c20-15-9-10-16(26-13-5-1-11(2-6-13)17(21)22)25-19(15)27-14-7-3-12(4-8-14)18(23)24/h1-10H,20H2,(H3,21,22)(H3,23,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aurigene Discovery Technologies Limited
Curated by ChEMBL
| Assay Description
Inhibition of factor 10a (unknown origin) using CH3OCO-D-CHA-Gly-Arg-pNA.AcoH as substrate |
ACS Med Chem Lett 4: 1152-7 (2013)
Article DOI: 10.1021/ml400213v
BindingDB Entry DOI: 10.7270/Q29S1SHZ |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50444521
(CHEMBL3099584)Show SMILES NCCC1CCN(CC1)C(=O)c1ccc(Oc2ccc(cc2)C(N)=N)nc1Oc1ccc(cc1)C(N)=N Show InChI InChI=1S/C27H31N7O3/c28-14-11-17-12-15-34(16-13-17)27(35)22-9-10-23(36-20-5-1-18(2-6-20)24(29)30)33-26(22)37-21-7-3-19(4-8-21)25(31)32/h1-10,17H,11-16,28H2,(H3,29,30)(H3,31,32) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aurigene Discovery Technologies Limited
Curated by ChEMBL
| Assay Description
Inhibition of factor 10a (unknown origin) using CH3OCO-D-CHA-Gly-Arg-pNA.AcoH as substrate |
ACS Med Chem Lett 4: 1152-7 (2013)
Article DOI: 10.1021/ml400213v
BindingDB Entry DOI: 10.7270/Q29S1SHZ |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50444522
(CHEMBL3099583)Show SMILES NCCCNC(=O)c1ccc(Oc2ccc(cc2)C(N)=N)nc1Oc1ccc(cc1)C(N)=N Show InChI InChI=1S/C23H25N7O3/c24-12-1-13-29-22(31)18-10-11-19(32-16-6-2-14(3-7-16)20(25)26)30-23(18)33-17-8-4-15(5-9-17)21(27)28/h2-11H,1,12-13,24H2,(H3,25,26)(H3,27,28)(H,29,31) | PDB
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antibodypedia
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Similars
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| 2.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aurigene Discovery Technologies Limited
Curated by ChEMBL
| Assay Description
Inhibition of thrombin (unknown origin) by fluorescence assay |
ACS Med Chem Lett 4: 1152-7 (2013)
Article DOI: 10.1021/ml400213v
BindingDB Entry DOI: 10.7270/Q29S1SHZ |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50444523
(CHEMBL3100168)Show SMILES NCCC(=O)N1CCC(CC1)NC(=O)c1ccc(Oc2ccc(cc2)C(N)=N)nc1Oc1ccc(cc1)C(N)=N Show InChI InChI=1S/C28H32N8O4/c29-14-11-24(37)36-15-12-19(13-16-36)34-27(38)22-9-10-23(39-20-5-1-17(2-6-20)25(30)31)35-28(22)40-21-7-3-18(4-8-21)26(32)33/h1-10,19H,11-16,29H2,(H3,30,31)(H3,32,33)(H,34,38) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aurigene Discovery Technologies Limited
Curated by ChEMBL
| Assay Description
Inhibition of factor 10a (unknown origin) using CH3OCO-D-CHA-Gly-Arg-pNA.AcoH as substrate |
ACS Med Chem Lett 4: 1152-7 (2013)
Article DOI: 10.1021/ml400213v
BindingDB Entry DOI: 10.7270/Q29S1SHZ |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50444520
(CHEMBL3099585)Show SMILES NCCC1CCN(CC1)C(=O)c1cc(Oc2ccc(cc2)C(N)=N)nc(Oc2ccc(cc2)C(N)=N)c1 Show InChI InChI=1S/C27H31N7O3/c28-12-9-17-10-13-34(14-11-17)27(35)20-15-23(36-21-5-1-18(2-6-21)25(29)30)33-24(16-20)37-22-7-3-19(4-8-22)26(31)32/h1-8,15-17H,9-14,28H2,(H3,29,30)(H3,31,32) | PDB
UniProtKB/SwissProt
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| CHEMBL
PC cid
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Similars
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PubMed
| >2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aurigene Discovery Technologies Limited
Curated by ChEMBL
| Assay Description
Inhibition of thrombin (unknown origin) by fluorescence assay |
ACS Med Chem Lett 4: 1152-7 (2013)
Article DOI: 10.1021/ml400213v
BindingDB Entry DOI: 10.7270/Q29S1SHZ |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50444518
(CHEMBL3099587)Show SMILES N[C@H]1CC[C@@H](CC1)NC(=O)c1cc(Oc2ccc(cc2)C(N)=N)nc(Oc2ccc(cc2)C(N)=N)c1 |r,wU:4.7,wD:1.0,(26.14,-7.69,;26.15,-9.23,;24.81,-9.99,;24.81,-11.54,;26.14,-12.31,;27.48,-11.54,;27.47,-9.99,;26.15,-13.85,;27.48,-14.62,;28.81,-13.85,;27.48,-16.16,;28.82,-16.93,;28.82,-18.47,;30.16,-19.26,;31.5,-18.49,;31.51,-16.95,;32.84,-16.18,;34.19,-16.96,;34.17,-18.5,;32.83,-19.26,;35.55,-16.2,;35.59,-14.65,;36.88,-17,;27.48,-19.24,;26.15,-18.47,;24.81,-19.25,;24.82,-20.8,;26.15,-21.56,;26.15,-23.11,;24.82,-23.88,;23.49,-23.11,;23.49,-21.57,;24.81,-25.41,;23.47,-26.17,;26.13,-26.2,;26.16,-16.92,)| Show InChI InChI=1S/C26H29N7O3/c27-18-5-7-19(8-6-18)32-26(34)17-13-22(35-20-9-1-15(2-10-20)24(28)29)33-23(14-17)36-21-11-3-16(4-12-21)25(30)31/h1-4,9-14,18-19H,5-8,27H2,(H3,28,29)(H3,30,31)(H,32,34)/t18-,19- | PDB
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| Article
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| 2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aurigene Discovery Technologies Limited
Curated by ChEMBL
| Assay Description
Inhibition of thrombin (unknown origin) by fluorescence assay |
ACS Med Chem Lett 4: 1152-7 (2013)
Article DOI: 10.1021/ml400213v
BindingDB Entry DOI: 10.7270/Q29S1SHZ |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50444521
(CHEMBL3099584)Show SMILES NCCC1CCN(CC1)C(=O)c1ccc(Oc2ccc(cc2)C(N)=N)nc1Oc1ccc(cc1)C(N)=N Show InChI InChI=1S/C27H31N7O3/c28-14-11-17-12-15-34(16-13-17)27(35)22-9-10-23(36-20-5-1-18(2-6-20)24(29)30)33-26(22)37-21-7-3-19(4-8-21)25(31)32/h1-10,17H,11-16,28H2,(H3,29,30)(H3,31,32) | PDB
UniProtKB/SwissProt
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| CHEMBL
PC cid
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UniChem
Similars
| Article
PubMed
| >2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aurigene Discovery Technologies Limited
Curated by ChEMBL
| Assay Description
Inhibition of thrombin (unknown origin) by fluorescence assay |
ACS Med Chem Lett 4: 1152-7 (2013)
Article DOI: 10.1021/ml400213v
BindingDB Entry DOI: 10.7270/Q29S1SHZ |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50444519
(CHEMBL3099586)Show SMILES NCCCN1CCC(CC1)NC(=O)c1cc(Oc2ccc(cc2)C(N)=N)nc(Oc2ccc(cc2)C(N)=N)c1 Show InChI InChI=1S/C28H34N8O3/c29-12-1-13-36-14-10-21(11-15-36)34-28(37)20-16-24(38-22-6-2-18(3-7-22)26(30)31)35-25(17-20)39-23-8-4-19(5-9-23)27(32)33/h2-9,16-17,21H,1,10-15,29H2,(H3,30,31)(H3,32,33)(H,34,37) | PDB
UniProtKB/SwissProt
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| CHEMBL
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PC sid
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Similars
| Article
PubMed
| 2.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aurigene Discovery Technologies Limited
Curated by ChEMBL
| Assay Description
Inhibition of thrombin (unknown origin) by fluorescence assay |
ACS Med Chem Lett 4: 1152-7 (2013)
Article DOI: 10.1021/ml400213v
BindingDB Entry DOI: 10.7270/Q29S1SHZ |
More data for this
Ligand-Target Pair | |
Suppressor of tumorigenicity 14 protein
(Homo sapiens (Human)) | BDBM50444529
(CHEMBL3099588)Show SMILES NC(=N)c1ccc(Oc2ccc(N)c(Oc3ccc(cc3)C(N)=N)n2)cc1 Show InChI InChI=1S/C19H18N6O2/c20-15-9-10-16(26-13-5-1-11(2-6-13)17(21)22)25-19(15)27-14-7-3-12(4-8-14)18(23)24/h1-10H,20H2,(H3,21,22)(H3,23,24) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aurigene Discovery Technologies Limited
Curated by ChEMBL
| Assay Description
Inhibition of matriptase-SP1 (615 to 855) (unknown origin) expressed in Escherichia coli BL21(DE3) using Boc-Gln-Ala-Arg-7-amido-4-methyl coumarin hy... |
ACS Med Chem Lett 4: 1152-7 (2013)
Article DOI: 10.1021/ml400213v
BindingDB Entry DOI: 10.7270/Q29S1SHZ |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50444524
(CHEMBL3099814)Show SMILES N[C@H]1CC[C@@H](CC1)NC(=O)c1ccc(Oc2ccc(cc2)C(N)=N)nc1Oc1ccc(cc1)C(N)=N |r,wU:4.7,wD:1.0,(46.68,-10.38,;45.36,-11.18,;44.01,-10.43,;42.69,-11.22,;42.72,-12.76,;44.06,-13.51,;45.38,-12.72,;41.4,-13.56,;40.05,-12.81,;40.02,-11.27,;38.73,-13.6,;37.38,-12.86,;36.06,-13.65,;36.09,-15.19,;34.77,-15.98,;33.42,-15.23,;33.4,-13.7,;32.05,-12.95,;30.73,-13.74,;30.76,-15.28,;32.1,-16.03,;29.38,-13,;28.06,-13.79,;29.36,-11.46,;37.44,-15.94,;38.76,-15.14,;40.1,-15.89,;40.13,-17.43,;41.48,-18.17,;41.5,-19.71,;40.18,-20.51,;38.84,-19.76,;38.81,-18.22,;40.21,-22.05,;41.56,-22.79,;38.89,-22.84,)| Show InChI InChI=1S/C26H29N7O3/c27-17-5-7-18(8-6-17)32-25(34)21-13-14-22(35-19-9-1-15(2-10-19)23(28)29)33-26(21)36-20-11-3-16(4-12-20)24(30)31/h1-4,9-14,17-18H,5-8,27H2,(H3,28,29)(H3,30,31)(H,32,34)/t17-,18- | PDB
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Similars
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PubMed
| 3.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aurigene Discovery Technologies Limited
Curated by ChEMBL
| Assay Description
Inhibition of thrombin (unknown origin) by fluorescence assay |
ACS Med Chem Lett 4: 1152-7 (2013)
Article DOI: 10.1021/ml400213v
BindingDB Entry DOI: 10.7270/Q29S1SHZ |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50444523
(CHEMBL3100168)Show SMILES NCCC(=O)N1CCC(CC1)NC(=O)c1ccc(Oc2ccc(cc2)C(N)=N)nc1Oc1ccc(cc1)C(N)=N Show InChI InChI=1S/C28H32N8O4/c29-14-11-24(37)36-15-12-19(13-16-36)34-27(38)22-9-10-23(39-20-5-1-17(2-6-20)25(30)31)35-28(22)40-21-7-3-18(4-8-21)26(32)33/h1-10,19H,11-16,29H2,(H3,30,31)(H3,32,33)(H,34,38) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aurigene Discovery Technologies Limited
Curated by ChEMBL
| Assay Description
Inhibition of thrombin (unknown origin) by fluorescence assay |
ACS Med Chem Lett 4: 1152-7 (2013)
Article DOI: 10.1021/ml400213v
BindingDB Entry DOI: 10.7270/Q29S1SHZ |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50444528
(CHEMBL3099589)Show SMILES NC(=N)c1ccc(Oc2ccc(NS(=O)(=O)c3ccc(F)cc3)c(Oc3ccc(cc3)C(N)=N)n2)cc1 Show InChI InChI=1S/C25H21FN6O4S/c26-17-5-11-20(12-6-17)37(33,34)32-21-13-14-22(35-18-7-1-15(2-8-18)23(27)28)31-25(21)36-19-9-3-16(4-10-19)24(29)30/h1-14,32H,(H3,27,28)(H3,29,30) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| 4.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aurigene Discovery Technologies Limited
Curated by ChEMBL
| Assay Description
Inhibition of thrombin (unknown origin) by fluorescence assay |
ACS Med Chem Lett 4: 1152-7 (2013)
Article DOI: 10.1021/ml400213v
BindingDB Entry DOI: 10.7270/Q29S1SHZ |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50444529
(CHEMBL3099588)Show SMILES NC(=N)c1ccc(Oc2ccc(N)c(Oc3ccc(cc3)C(N)=N)n2)cc1 Show InChI InChI=1S/C19H18N6O2/c20-15-9-10-16(26-13-5-1-11(2-6-13)17(21)22)25-19(15)27-14-7-3-12(4-8-14)18(23)24/h1-10H,20H2,(H3,21,22)(H3,23,24) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aurigene Discovery Technologies Limited
Curated by ChEMBL
| Assay Description
Inhibition of thrombin (unknown origin) by fluorescence assay |
ACS Med Chem Lett 4: 1152-7 (2013)
Article DOI: 10.1021/ml400213v
BindingDB Entry DOI: 10.7270/Q29S1SHZ |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50444526
(CHEMBL3099812)Show SMILES NC(=N)c1ccc(Oc2ccc(NS(=O)(=O)c3ccc4ccccc4c3)c(Oc3ccc(cc3)C(N)=N)n2)cc1 Show InChI InChI=1S/C29H24N6O4S/c30-27(31)19-5-10-22(11-6-19)38-26-16-15-25(29(34-26)39-23-12-7-20(8-13-23)28(32)33)35-40(36,37)24-14-9-18-3-1-2-4-21(18)17-24/h1-17,35H,(H3,30,31)(H3,32,33) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| 5.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aurigene Discovery Technologies Limited
Curated by ChEMBL
| Assay Description
Inhibition of thrombin (unknown origin) by fluorescence assay |
ACS Med Chem Lett 4: 1152-7 (2013)
Article DOI: 10.1021/ml400213v
BindingDB Entry DOI: 10.7270/Q29S1SHZ |
More data for this
Ligand-Target Pair | |
Suppressor of tumorigenicity 14 protein
(Homo sapiens (Human)) | BDBM50066618
(4-{6-[4-amino(imino)methylphenoxy]-2-pyridyloxy}ph...)Show SMILES NC(=N)c1ccc(Oc2cccc(Oc3ccc(cc3)C(N)=N)n2)cc1 Show InChI InChI=1S/C19H17N5O2/c20-18(21)12-4-8-14(9-5-12)25-16-2-1-3-17(24-16)26-15-10-6-13(7-11-15)19(22)23/h1-11H,(H3,20,21)(H3,22,23) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 9.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aurigene Discovery Technologies Limited
Curated by ChEMBL
| Assay Description
Inhibition of matriptase-SP1 (615 to 855) (unknown origin) expressed in Escherichia coli BL21(DE3) using Boc-Gln-Ala-Arg-7-amido-4-methyl coumarin hy... |
ACS Med Chem Lett 4: 1152-7 (2013)
Article DOI: 10.1021/ml400213v
BindingDB Entry DOI: 10.7270/Q29S1SHZ |
More data for this
Ligand-Target Pair | |
Urokinase-type plasminogen activator
(Homo sapiens (Human)) | BDBM50444527
(CHEMBL3099811)Show SMILES NC(=N)c1ccc(Oc2ccc(NS(=O)(=O)c3cc(F)cc(F)c3)c(Oc3ccc(cc3)C(N)=N)n2)cc1 Show InChI InChI=1S/C25H20F2N6O4S/c26-16-11-17(27)13-20(12-16)38(34,35)33-21-9-10-22(36-18-5-1-14(2-6-18)23(28)29)32-25(21)37-19-7-3-15(4-8-19)24(30)31/h1-13,33H,(H3,28,29)(H3,30,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aurigene Discovery Technologies Limited
Curated by ChEMBL
| Assay Description
Inhibition of uPA (unknown origin) using L-PyroGlu-Gly-Arg-pNA.HCl as substrate |
ACS Med Chem Lett 4: 1152-7 (2013)
Article DOI: 10.1021/ml400213v
BindingDB Entry DOI: 10.7270/Q29S1SHZ |
More data for this
Ligand-Target Pair | |
Urokinase-type plasminogen activator
(Homo sapiens (Human)) | BDBM50444525
(CHEMBL3099813)Show SMILES NC(=N)c1ccc(Oc2ccc(NS(=O)(=O)c3cccc4cccnc34)c(Oc3ccc(cc3)C(N)=N)n2)cc1 Show InChI InChI=1S/C28H23N7O4S/c29-26(30)18-6-10-20(11-7-18)38-24-15-14-22(28(34-24)39-21-12-8-19(9-13-21)27(31)32)35-40(36,37)23-5-1-3-17-4-2-16-33-25(17)23/h1-16,35H,(H3,29,30)(H3,31,32) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aurigene Discovery Technologies Limited
Curated by ChEMBL
| Assay Description
Inhibition of uPA (unknown origin) using L-PyroGlu-Gly-Arg-pNA.HCl as substrate |
ACS Med Chem Lett 4: 1152-7 (2013)
Article DOI: 10.1021/ml400213v
BindingDB Entry DOI: 10.7270/Q29S1SHZ |
More data for this
Ligand-Target Pair | |
Urokinase-type plasminogen activator
(Homo sapiens (Human)) | BDBM50444526
(CHEMBL3099812)Show SMILES NC(=N)c1ccc(Oc2ccc(NS(=O)(=O)c3ccc4ccccc4c3)c(Oc3ccc(cc3)C(N)=N)n2)cc1 Show InChI InChI=1S/C29H24N6O4S/c30-27(31)19-5-10-22(11-6-19)38-26-16-15-25(29(34-26)39-23-12-7-20(8-13-23)28(32)33)35-40(36,37)24-14-9-18-3-1-2-4-21(18)17-24/h1-17,35H,(H3,30,31)(H3,32,33) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aurigene Discovery Technologies Limited
Curated by ChEMBL
| Assay Description
Inhibition of uPA (unknown origin) using L-PyroGlu-Gly-Arg-pNA.HCl as substrate |
ACS Med Chem Lett 4: 1152-7 (2013)
Article DOI: 10.1021/ml400213v
BindingDB Entry DOI: 10.7270/Q29S1SHZ |
More data for this
Ligand-Target Pair | |
Urokinase-type plasminogen activator
(Homo sapiens (Human)) | BDBM50444521
(CHEMBL3099584)Show SMILES NCCC1CCN(CC1)C(=O)c1ccc(Oc2ccc(cc2)C(N)=N)nc1Oc1ccc(cc1)C(N)=N Show InChI InChI=1S/C27H31N7O3/c28-14-11-17-12-15-34(16-13-17)27(35)22-9-10-23(36-20-5-1-18(2-6-20)24(29)30)33-26(22)37-21-7-3-19(4-8-21)25(31)32/h1-10,17H,11-16,28H2,(H3,29,30)(H3,31,32) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aurigene Discovery Technologies Limited
Curated by ChEMBL
| Assay Description
Inhibition of uPA (unknown origin) using L-PyroGlu-Gly-Arg-pNA.HCl as substrate |
ACS Med Chem Lett 4: 1152-7 (2013)
Article DOI: 10.1021/ml400213v
BindingDB Entry DOI: 10.7270/Q29S1SHZ |
More data for this
Ligand-Target Pair | |
Urokinase-type plasminogen activator
(Homo sapiens (Human)) | BDBM50444524
(CHEMBL3099814)Show SMILES N[C@H]1CC[C@@H](CC1)NC(=O)c1ccc(Oc2ccc(cc2)C(N)=N)nc1Oc1ccc(cc1)C(N)=N |r,wU:4.7,wD:1.0,(46.68,-10.38,;45.36,-11.18,;44.01,-10.43,;42.69,-11.22,;42.72,-12.76,;44.06,-13.51,;45.38,-12.72,;41.4,-13.56,;40.05,-12.81,;40.02,-11.27,;38.73,-13.6,;37.38,-12.86,;36.06,-13.65,;36.09,-15.19,;34.77,-15.98,;33.42,-15.23,;33.4,-13.7,;32.05,-12.95,;30.73,-13.74,;30.76,-15.28,;32.1,-16.03,;29.38,-13,;28.06,-13.79,;29.36,-11.46,;37.44,-15.94,;38.76,-15.14,;40.1,-15.89,;40.13,-17.43,;41.48,-18.17,;41.5,-19.71,;40.18,-20.51,;38.84,-19.76,;38.81,-18.22,;40.21,-22.05,;41.56,-22.79,;38.89,-22.84,)| Show InChI InChI=1S/C26H29N7O3/c27-17-5-7-18(8-6-17)32-25(34)21-13-14-22(35-19-9-1-15(2-10-19)23(28)29)33-26(21)36-20-11-3-16(4-12-20)24(30)31/h1-4,9-14,17-18H,5-8,27H2,(H3,28,29)(H3,30,31)(H,32,34)/t17-,18- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aurigene Discovery Technologies Limited
Curated by ChEMBL
| Assay Description
Inhibition of uPA (unknown origin) using L-PyroGlu-Gly-Arg-pNA.HCl as substrate |
ACS Med Chem Lett 4: 1152-7 (2013)
Article DOI: 10.1021/ml400213v
BindingDB Entry DOI: 10.7270/Q29S1SHZ |
More data for this
Ligand-Target Pair | |
Urokinase-type plasminogen activator
(Homo sapiens (Human)) | BDBM50444519
(CHEMBL3099586)Show SMILES NCCCN1CCC(CC1)NC(=O)c1cc(Oc2ccc(cc2)C(N)=N)nc(Oc2ccc(cc2)C(N)=N)c1 Show InChI InChI=1S/C28H34N8O3/c29-12-1-13-36-14-10-21(11-15-36)34-28(37)20-16-24(38-22-6-2-18(3-7-22)26(30)31)35-25(17-20)39-23-8-4-19(5-9-23)27(32)33/h2-9,16-17,21H,1,10-15,29H2,(H3,30,31)(H3,32,33)(H,34,37) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aurigene Discovery Technologies Limited
Curated by ChEMBL
| Assay Description
Inhibition of uPA (unknown origin) using L-PyroGlu-Gly-Arg-pNA.HCl as substrate |
ACS Med Chem Lett 4: 1152-7 (2013)
Article DOI: 10.1021/ml400213v
BindingDB Entry DOI: 10.7270/Q29S1SHZ |
More data for this
Ligand-Target Pair | |
Urokinase-type plasminogen activator
(Homo sapiens (Human)) | BDBM50444518
(CHEMBL3099587)Show SMILES N[C@H]1CC[C@@H](CC1)NC(=O)c1cc(Oc2ccc(cc2)C(N)=N)nc(Oc2ccc(cc2)C(N)=N)c1 |r,wU:4.7,wD:1.0,(26.14,-7.69,;26.15,-9.23,;24.81,-9.99,;24.81,-11.54,;26.14,-12.31,;27.48,-11.54,;27.47,-9.99,;26.15,-13.85,;27.48,-14.62,;28.81,-13.85,;27.48,-16.16,;28.82,-16.93,;28.82,-18.47,;30.16,-19.26,;31.5,-18.49,;31.51,-16.95,;32.84,-16.18,;34.19,-16.96,;34.17,-18.5,;32.83,-19.26,;35.55,-16.2,;35.59,-14.65,;36.88,-17,;27.48,-19.24,;26.15,-18.47,;24.81,-19.25,;24.82,-20.8,;26.15,-21.56,;26.15,-23.11,;24.82,-23.88,;23.49,-23.11,;23.49,-21.57,;24.81,-25.41,;23.47,-26.17,;26.13,-26.2,;26.16,-16.92,)| Show InChI InChI=1S/C26H29N7O3/c27-18-5-7-19(8-6-18)32-26(34)17-13-22(35-20-9-1-15(2-10-20)24(28)29)33-23(14-17)36-21-11-3-16(4-12-21)25(30)31/h1-4,9-14,18-19H,5-8,27H2,(H3,28,29)(H3,30,31)(H,32,34)/t18-,19- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aurigene Discovery Technologies Limited
Curated by ChEMBL
| Assay Description
Inhibition of uPA (unknown origin) using L-PyroGlu-Gly-Arg-pNA.HCl as substrate |
ACS Med Chem Lett 4: 1152-7 (2013)
Article DOI: 10.1021/ml400213v
BindingDB Entry DOI: 10.7270/Q29S1SHZ |
More data for this
Ligand-Target Pair | |
Urokinase-type plasminogen activator
(Homo sapiens (Human)) | BDBM50444528
(CHEMBL3099589)Show SMILES NC(=N)c1ccc(Oc2ccc(NS(=O)(=O)c3ccc(F)cc3)c(Oc3ccc(cc3)C(N)=N)n2)cc1 Show InChI InChI=1S/C25H21FN6O4S/c26-17-5-11-20(12-6-17)37(33,34)32-21-13-14-22(35-18-7-1-15(2-8-18)23(27)28)31-25(21)36-19-9-3-16(4-10-19)24(29)30/h1-14,32H,(H3,27,28)(H3,29,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aurigene Discovery Technologies Limited
Curated by ChEMBL
| Assay Description
Inhibition of uPA (unknown origin) using L-PyroGlu-Gly-Arg-pNA.HCl as substrate |
ACS Med Chem Lett 4: 1152-7 (2013)
Article DOI: 10.1021/ml400213v
BindingDB Entry DOI: 10.7270/Q29S1SHZ |
More data for this
Ligand-Target Pair | |
Urokinase-type plasminogen activator
(Homo sapiens (Human)) | BDBM50444523
(CHEMBL3100168)Show SMILES NCCC(=O)N1CCC(CC1)NC(=O)c1ccc(Oc2ccc(cc2)C(N)=N)nc1Oc1ccc(cc1)C(N)=N Show InChI InChI=1S/C28H32N8O4/c29-14-11-24(37)36-15-12-19(13-16-36)34-27(38)22-9-10-23(39-20-5-1-17(2-6-20)25(30)31)35-28(22)40-21-7-3-18(4-8-21)26(32)33/h1-10,19H,11-16,29H2,(H3,30,31)(H3,32,33)(H,34,38) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aurigene Discovery Technologies Limited
Curated by ChEMBL
| Assay Description
Inhibition of uPA (unknown origin) using L-PyroGlu-Gly-Arg-pNA.HCl as substrate |
ACS Med Chem Lett 4: 1152-7 (2013)
Article DOI: 10.1021/ml400213v
BindingDB Entry DOI: 10.7270/Q29S1SHZ |
More data for this
Ligand-Target Pair | |
Urokinase-type plasminogen activator
(Homo sapiens (Human)) | BDBM50444529
(CHEMBL3099588)Show SMILES NC(=N)c1ccc(Oc2ccc(N)c(Oc3ccc(cc3)C(N)=N)n2)cc1 Show InChI InChI=1S/C19H18N6O2/c20-15-9-10-16(26-13-5-1-11(2-6-13)17(21)22)25-19(15)27-14-7-3-12(4-8-14)18(23)24/h1-10H,20H2,(H3,21,22)(H3,23,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aurigene Discovery Technologies Limited
Curated by ChEMBL
| Assay Description
Inhibition of uPA (unknown origin) using L-PyroGlu-Gly-Arg-pNA.HCl as substrate |
ACS Med Chem Lett 4: 1152-7 (2013)
Article DOI: 10.1021/ml400213v
BindingDB Entry DOI: 10.7270/Q29S1SHZ |
More data for this
Ligand-Target Pair | |
Urokinase-type plasminogen activator
(Homo sapiens (Human)) | BDBM50444522
(CHEMBL3099583)Show SMILES NCCCNC(=O)c1ccc(Oc2ccc(cc2)C(N)=N)nc1Oc1ccc(cc1)C(N)=N Show InChI InChI=1S/C23H25N7O3/c24-12-1-13-29-22(31)18-10-11-19(32-16-6-2-14(3-7-16)20(25)26)30-23(18)33-17-8-4-15(5-9-17)21(27)28/h2-11H,1,12-13,24H2,(H3,25,26)(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
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aurigene Discovery Technologies Limited
Curated by ChEMBL
| Assay Description
Inhibition of uPA (unknown origin) using L-PyroGlu-Gly-Arg-pNA.HCl as substrate |
ACS Med Chem Lett 4: 1152-7 (2013)
Article DOI: 10.1021/ml400213v
BindingDB Entry DOI: 10.7270/Q29S1SHZ |
More data for this
Ligand-Target Pair | |
Urokinase-type plasminogen activator
(Homo sapiens (Human)) | BDBM50444520
(CHEMBL3099585)Show SMILES NCCC1CCN(CC1)C(=O)c1cc(Oc2ccc(cc2)C(N)=N)nc(Oc2ccc(cc2)C(N)=N)c1 Show InChI InChI=1S/C27H31N7O3/c28-12-9-17-10-13-34(14-11-17)27(35)20-15-23(36-21-5-1-18(2-6-21)25(29)30)33-24(16-20)37-22-7-3-19(4-8-22)26(31)32/h1-8,15-17H,9-14,28H2,(H3,29,30)(H3,31,32) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aurigene Discovery Technologies Limited
Curated by ChEMBL
| Assay Description
Inhibition of uPA (unknown origin) using L-PyroGlu-Gly-Arg-pNA.HCl as substrate |
ACS Med Chem Lett 4: 1152-7 (2013)
Article DOI: 10.1021/ml400213v
BindingDB Entry DOI: 10.7270/Q29S1SHZ |
More data for this
Ligand-Target Pair | |
Suppressor of tumorigenicity 14 protein
(Homo sapiens (Human)) | BDBM50038002
(Benzamidine (Protonated) | CHEMBL20936 | CHEMBL537...)Show InChI InChI=1S/C7H8N2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H3,8,9) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
KEGG
MMDB
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 4.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aurigene Discovery Technologies Limited
Curated by ChEMBL
| Assay Description
Inhibition of matriptase-SP1 (615 to 855) (unknown origin) expressed in Escherichia coli BL21(DE3) using Boc-Gln-Ala-Arg-7-amido-4-methyl coumarin hy... |
ACS Med Chem Lett 4: 1152-7 (2013)
Article DOI: 10.1021/ml400213v
BindingDB Entry DOI: 10.7270/Q29S1SHZ |
More data for this
Ligand-Target Pair | |
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