Found 31 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Coagulation factor X
(Homo sapiens (Human)) | BDBM50111966
(1-(4-Amino-quinazolin-7-ylmethyl)-4-(6-chloro-benz...)Show SMILES Nc1ncnc2cc(CN3CCN(CC3=O)S(=O)(=O)c3cc4ccc(Cl)cc4s3)ccc12 Show InChI InChI=1S/C21H18ClN5O3S2/c22-15-3-2-14-8-20(31-18(14)9-15)32(29,30)27-6-5-26(19(28)11-27)10-13-1-4-16-17(7-13)24-12-25-21(16)23/h1-4,7-9,12H,5-6,10-11H2,(H2,23,24,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of Coagulation factor Xa |
Bioorg Med Chem Lett 12: 919-22 (2002)
BindingDB Entry DOI: 10.7270/Q28C9VJT |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM12594
(4-({4-[(6-CHLORO-1-BENZOTHIEN-2-YL)SULFONYL]-2-OXO...)Show SMILES NC(=N)c1ccc(CN2CCN(CC2=O)S(=O)(=O)c2cc3ccc(Cl)cc3s2)cc1 Show InChI InChI=1S/C20H19ClN4O3S2/c21-16-6-5-15-9-19(29-17(15)10-16)30(27,28)25-8-7-24(18(26)12-25)11-13-1-3-14(4-2-13)20(22)23/h1-6,9-10H,7-8,11-12H2,(H3,22,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| MMDB
PDB
PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of Coagulation factor Xa |
Bioorg Med Chem Lett 12: 919-22 (2002)
BindingDB Entry DOI: 10.7270/Q28C9VJT |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50111958
(1-(4-Amino-quinazolin-7-ylmethyl)-4-(6-chloro-1H-b...)Show SMILES Nc1ncnc2cc(CN3CCN(CC3=O)S(=O)(=O)c3nc4ccc(Cl)cc4[nH]3)ccc12 Show InChI InChI=1S/C20H18ClN7O3S/c21-13-2-4-15-17(8-13)26-20(25-15)32(30,31)28-6-5-27(18(29)10-28)9-12-1-3-14-16(7-12)23-11-24-19(14)22/h1-4,7-8,11H,5-6,9-10H2,(H,25,26)(H2,22,23,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of Coagulation factor Xa |
Bioorg Med Chem Lett 12: 919-22 (2002)
BindingDB Entry DOI: 10.7270/Q28C9VJT |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50111955
(1-(4-Amino-quinazolin-7-ylmethyl)-4-(6-chloro-1H-b...)Show SMILES Nc1ncnc2cc(CN3CCN(Cc4nc5ccc(Cl)cc5[nH]4)CC3=O)ccc12 Show InChI InChI=1S/C21H20ClN7O/c22-14-2-4-16-18(8-14)27-19(26-16)10-28-5-6-29(20(30)11-28)9-13-1-3-15-17(7-13)24-12-25-21(15)23/h1-4,7-8,12H,5-6,9-11H2,(H,26,27)(H2,23,24,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of Coagulation factor Xa |
Bioorg Med Chem Lett 12: 919-22 (2002)
BindingDB Entry DOI: 10.7270/Q28C9VJT |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50090593
(2-[4-(6-Chloro-benzo[b]thiophene-2-sulfonyl)-2-oxo...)Show SMILES Cn1cncc1CCNC(=O)CN1CCN(CC1=O)S(=O)(=O)c1cc2ccc(Cl)cc2s1 Show InChI InChI=1S/C20H22ClN5O4S2/c1-24-13-22-10-16(24)4-5-23-18(27)11-25-6-7-26(12-19(25)28)32(29,30)20-8-14-2-3-15(21)9-17(14)31-20/h2-3,8-10,13H,4-7,11-12H2,1H3,(H,23,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of Coagulation factor Xa |
Bioorg Med Chem Lett 12: 919-22 (2002)
BindingDB Entry DOI: 10.7270/Q28C9VJT |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50111963
(1-(4-Amino-quinazolin-7-ylmethyl)-4-(6-bromo-1H-be...)Show SMILES Nc1ncnc2cc(CN3CCN(Cc4nc5ccc(Br)cc5[nH]4)CC3=O)ccc12 Show InChI InChI=1S/C21H20BrN7O/c22-14-2-4-16-18(8-14)27-19(26-16)10-28-5-6-29(20(30)11-28)9-13-1-3-15-17(7-13)24-12-25-21(15)23/h1-4,7-8,12H,5-6,9-11H2,(H,26,27)(H2,23,24,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of Coagulation factor Xa |
Bioorg Med Chem Lett 12: 919-22 (2002)
BindingDB Entry DOI: 10.7270/Q28C9VJT |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50111957
(1-(4-Amino-quinazolin-7-ylmethyl)-4-(5-chloro-1H-i...)Show SMILES Nc1ncnc2cc(CN3CCN(Cc4cc5cc(Cl)ccc5[nH]4)CC3=O)ccc12 Show InChI InChI=1S/C22H21ClN6O/c23-16-2-4-19-15(8-16)9-17(27-19)11-28-5-6-29(21(30)12-28)10-14-1-3-18-20(7-14)25-13-26-22(18)24/h1-4,7-9,13,27H,5-6,10-12H2,(H2,24,25,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 24 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of Coagulation factor Xa |
Bioorg Med Chem Lett 12: 919-22 (2002)
BindingDB Entry DOI: 10.7270/Q28C9VJT |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50111965
(4-[4-(6-Chloro-1H-benzoimidazol-2-ylmethyl)-2-oxo-...)Show SMILES NC(=N)c1ccc(CN2CCN(Cc3nc4ccc(Cl)cc4[nH]3)CC2=O)cc1 Show InChI InChI=1S/C20H21ClN6O/c21-15-5-6-16-17(9-15)25-18(24-16)11-26-7-8-27(19(28)12-26)10-13-1-3-14(4-2-13)20(22)23/h1-6,9H,7-8,10-12H2,(H3,22,23)(H,24,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of Coagulation factor Xa |
Bioorg Med Chem Lett 12: 919-22 (2002)
BindingDB Entry DOI: 10.7270/Q28C9VJT |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50111955
(1-(4-Amino-quinazolin-7-ylmethyl)-4-(6-chloro-1H-b...)Show SMILES Nc1ncnc2cc(CN3CCN(Cc4nc5ccc(Cl)cc5[nH]4)CC3=O)ccc12 Show InChI InChI=1S/C21H20ClN7O/c22-14-2-4-16-18(8-14)27-19(26-16)10-28-5-6-29(20(30)11-28)9-13-1-3-15-17(7-13)24-12-25-21(15)23/h1-4,7-8,12H,5-6,9-11H2,(H,26,27)(H2,23,24,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 42 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharmaceuticals
Curated by ChEMBL
| Assay Description
Tested for inhibitory activity against Coagulation factor Xa |
Bioorg Med Chem Lett 12: 919-22 (2002)
BindingDB Entry DOI: 10.7270/Q28C9VJT |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50111960
(1-(4-Amino-quinazolin-7-ylmethyl)-4-(6-methyl-1H-b...)Show SMILES Cc1ccc2nc(CN3CCN(Cc4ccc5c(N)ncnc5c4)C(=O)C3)[nH]c2c1 Show InChI InChI=1S/C22H23N7O/c1-14-2-5-17-19(8-14)27-20(26-17)11-28-6-7-29(21(30)12-28)10-15-3-4-16-18(9-15)24-13-25-22(16)23/h2-5,8-9,13H,6-7,10-12H2,1H3,(H,26,27)(H2,23,24,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 120 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of Coagulation factor Xa |
Bioorg Med Chem Lett 12: 919-22 (2002)
BindingDB Entry DOI: 10.7270/Q28C9VJT |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50111961
(1-(4-Amino-quinazolin-7-ylmethyl)-4-(6-chloro-1-me...)Show SMILES Cn1c(CN2CCN(Cc3ccc4c(N)ncnc4c3)C(=O)C2)nc2ccc(Cl)cc12 Show InChI InChI=1S/C22H22ClN7O/c1-28-19-9-15(23)3-5-17(19)27-20(28)11-29-6-7-30(21(31)12-29)10-14-2-4-16-18(8-14)25-13-26-22(16)24/h2-5,8-9,13H,6-7,10-12H2,1H3,(H2,24,25,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 290 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of Coagulation factor Xa |
Bioorg Med Chem Lett 12: 919-22 (2002)
BindingDB Entry DOI: 10.7270/Q28C9VJT |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50111956
(1-(4-Amino-quinazolin-7-ylmethyl)-4-(6-chloro-1H-i...)Show SMILES Nc1ncnc2cc(CN3CCN(Cc4cc5ccc(Cl)cc5[nH]4)CC3=O)ccc12 Show InChI InChI=1S/C22H21ClN6O/c23-16-3-2-15-8-17(27-19(15)9-16)11-28-5-6-29(21(30)12-28)10-14-1-4-18-20(7-14)25-13-26-22(18)24/h1-4,7-9,13,27H,5-6,10-12H2,(H2,24,25,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 390 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of Coagulation factor Xa |
Bioorg Med Chem Lett 12: 919-22 (2002)
BindingDB Entry DOI: 10.7270/Q28C9VJT |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50111959
(3-[4-(6-Chloro-1H-benzoimidazol-2-ylmethyl)-2-oxo-...)Show SMILES NC(=N)c1cccc(CN2CCN(Cc3nc4ccc(Cl)cc4[nH]3)CC2=O)c1 Show InChI InChI=1S/C20H21ClN6O/c21-15-4-5-16-17(9-15)25-18(24-16)11-26-6-7-27(19(28)12-26)10-13-2-1-3-14(8-13)20(22)23/h1-5,8-9H,6-7,10-12H2,(H3,22,23)(H,24,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| >1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of Coagulation factor Xa |
Bioorg Med Chem Lett 12: 919-22 (2002)
BindingDB Entry DOI: 10.7270/Q28C9VJT |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50111967
(1-(4-Amino-quinazolin-7-ylmethyl)-4-(5-chloro-benz...)Show SMILES Nc1ncnc2cc(CN3CCN(Cc4nc5cc(Cl)ccc5s4)CC3=O)ccc12 Show InChI InChI=1S/C21H19ClN6OS/c22-14-2-4-18-17(8-14)26-19(30-18)10-27-5-6-28(20(29)11-27)9-13-1-3-15-16(7-13)24-12-25-21(15)23/h1-4,7-8,12H,5-6,9-11H2,(H2,23,24,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of Coagulation factor Xa |
Bioorg Med Chem Lett 12: 919-22 (2002)
BindingDB Entry DOI: 10.7270/Q28C9VJT |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50111962
(1-(4-Amino-quinazolin-7-ylmethyl)-4-(5-chloro-benz...)Show SMILES Nc1ncnc2cc(CN3CCN(Cc4nc5cc(Cl)ccc5o4)CC3=O)ccc12 Show InChI InChI=1S/C21H19ClN6O2/c22-14-2-4-18-17(8-14)26-19(30-18)10-27-5-6-28(20(29)11-27)9-13-1-3-15-16(7-13)24-12-25-21(15)23/h1-4,7-8,12H,5-6,9-11H2,(H2,23,24,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| PubMed
| 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of Coagulation factor Xa |
Bioorg Med Chem Lett 12: 919-22 (2002)
BindingDB Entry DOI: 10.7270/Q28C9VJT |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50111964
(1-(4-Amino-quinazolin-7-ylmethyl)-4-(1H-benzoimida...)Show SMILES Nc1ncnc2cc(CN3CCN(Cc4nc5ccccc5[nH]4)CC3=O)ccc12 Show InChI InChI=1S/C21H21N7O/c22-21-15-6-5-14(9-18(15)23-13-24-21)10-28-8-7-27(12-20(28)29)11-19-25-16-3-1-2-4-17(16)26-19/h1-6,9,13H,7-8,10-12H2,(H,25,26)(H2,22,23,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of Coagulation factor Xa |
Bioorg Med Chem Lett 12: 919-22 (2002)
BindingDB Entry DOI: 10.7270/Q28C9VJT |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50111955
(1-(4-Amino-quinazolin-7-ylmethyl)-4-(6-chloro-1H-b...)Show SMILES Nc1ncnc2cc(CN3CCN(Cc4nc5ccc(Cl)cc5[nH]4)CC3=O)ccc12 Show InChI InChI=1S/C21H20ClN7O/c22-14-2-4-16-18(8-14)27-19(26-16)10-28-5-6-29(20(30)11-28)9-13-1-3-15-17(7-13)24-12-25-21(15)23/h1-4,7-8,12H,5-6,9-11H2,(H,26,27)(H2,23,24,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| >2.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharmaceuticals
Curated by ChEMBL
| Assay Description
Tested for inhibitory activity against trypsin |
Bioorg Med Chem Lett 12: 919-22 (2002)
BindingDB Entry DOI: 10.7270/Q28C9VJT |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50111957
(1-(4-Amino-quinazolin-7-ylmethyl)-4-(5-chloro-1H-i...)Show SMILES Nc1ncnc2cc(CN3CCN(Cc4cc5cc(Cl)ccc5[nH]4)CC3=O)ccc12 Show InChI InChI=1S/C22H21ClN6O/c23-16-2-4-19-15(8-16)9-17(27-19)11-28-5-6-29(21(30)12-28)10-14-1-3-18-20(7-14)25-13-26-22(18)24/h1-4,7-9,13,27H,5-6,10-12H2,(H2,24,25,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| >2.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharmaceuticals
Curated by ChEMBL
| Assay Description
Tested for inhibitory activity against trypsin |
Bioorg Med Chem Lett 12: 919-22 (2002)
BindingDB Entry DOI: 10.7270/Q28C9VJT |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50111958
(1-(4-Amino-quinazolin-7-ylmethyl)-4-(6-chloro-1H-b...)Show SMILES Nc1ncnc2cc(CN3CCN(CC3=O)S(=O)(=O)c3nc4ccc(Cl)cc4[nH]3)ccc12 Show InChI InChI=1S/C20H18ClN7O3S/c21-13-2-4-15-17(8-13)26-20(25-15)32(30,31)28-6-5-27(18(29)10-28)9-12-1-3-14-16(7-12)23-11-24-19(14)22/h1-4,7-8,11H,5-6,9-10H2,(H,25,26)(H2,22,23,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| PubMed
| >2.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharmaceuticals
Curated by ChEMBL
| Assay Description
Tested for inhibitory activity against trypsin |
Bioorg Med Chem Lett 12: 919-22 (2002)
BindingDB Entry DOI: 10.7270/Q28C9VJT |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50111957
(1-(4-Amino-quinazolin-7-ylmethyl)-4-(5-chloro-1H-i...)Show SMILES Nc1ncnc2cc(CN3CCN(Cc4cc5cc(Cl)ccc5[nH]4)CC3=O)ccc12 Show InChI InChI=1S/C22H21ClN6O/c23-16-2-4-19-15(8-16)9-17(27-19)11-28-5-6-29(21(30)12-28)10-14-1-3-18-20(7-14)25-13-26-22(18)24/h1-4,7-9,13,27H,5-6,10-12H2,(H2,24,25,26) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| >4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharmaceuticals
Curated by ChEMBL
| Assay Description
Tested for inhibitory activity against thrombin |
Bioorg Med Chem Lett 12: 919-22 (2002)
BindingDB Entry DOI: 10.7270/Q28C9VJT |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50111955
(1-(4-Amino-quinazolin-7-ylmethyl)-4-(6-chloro-1H-b...)Show SMILES Nc1ncnc2cc(CN3CCN(Cc4nc5ccc(Cl)cc5[nH]4)CC3=O)ccc12 Show InChI InChI=1S/C21H20ClN7O/c22-14-2-4-16-18(8-14)27-19(26-16)10-28-5-6-29(20(30)11-28)9-13-1-3-15-17(7-13)24-12-25-21(15)23/h1-4,7-8,12H,5-6,9-11H2,(H,26,27)(H2,23,24,25) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| >4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharmaceuticals
Curated by ChEMBL
| Assay Description
Tested for inhibitory activity against thrombin |
Bioorg Med Chem Lett 12: 919-22 (2002)
BindingDB Entry DOI: 10.7270/Q28C9VJT |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50111958
(1-(4-Amino-quinazolin-7-ylmethyl)-4-(6-chloro-1H-b...)Show SMILES Nc1ncnc2cc(CN3CCN(CC3=O)S(=O)(=O)c3nc4ccc(Cl)cc4[nH]3)ccc12 Show InChI InChI=1S/C20H18ClN7O3S/c21-13-2-4-15-17(8-13)26-20(25-15)32(30,31)28-6-5-27(18(29)10-28)9-12-1-3-14-16(7-12)23-11-24-19(14)22/h1-4,7-8,11H,5-6,9-10H2,(H,25,26)(H2,22,23,24) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| PubMed
| >4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharmaceuticals
Curated by ChEMBL
| Assay Description
Tested for inhibitory activity against thrombin |
Bioorg Med Chem Lett 12: 919-22 (2002)
BindingDB Entry DOI: 10.7270/Q28C9VJT |
More data for this
Ligand-Target Pair | |
Plasminogen
(Homo sapiens (Human)) | BDBM50111955
(1-(4-Amino-quinazolin-7-ylmethyl)-4-(6-chloro-1H-b...)Show SMILES Nc1ncnc2cc(CN3CCN(Cc4nc5ccc(Cl)cc5[nH]4)CC3=O)ccc12 Show InChI InChI=1S/C21H20ClN7O/c22-14-2-4-16-18(8-14)27-19(26-16)10-28-5-6-29(20(30)11-28)9-13-1-3-15-17(7-13)24-12-25-21(15)23/h1-4,7-8,12H,5-6,9-11H2,(H,26,27)(H2,23,24,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| >7.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharmaceuticals
Curated by ChEMBL
| Assay Description
Tested for inhibitory activity against plasmin |
Bioorg Med Chem Lett 12: 919-22 (2002)
BindingDB Entry DOI: 10.7270/Q28C9VJT |
More data for this
Ligand-Target Pair | |
Plasminogen
(Homo sapiens (Human)) | BDBM50111957
(1-(4-Amino-quinazolin-7-ylmethyl)-4-(5-chloro-1H-i...)Show SMILES Nc1ncnc2cc(CN3CCN(Cc4cc5cc(Cl)ccc5[nH]4)CC3=O)ccc12 Show InChI InChI=1S/C22H21ClN6O/c23-16-2-4-19-15(8-16)9-17(27-19)11-28-5-6-29(21(30)12-28)10-14-1-3-18-20(7-14)25-13-26-22(18)24/h1-4,7-9,13,27H,5-6,10-12H2,(H2,24,25,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| >7.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharmaceuticals
Curated by ChEMBL
| Assay Description
Tested for inhibitory activity against plasmin |
Bioorg Med Chem Lett 12: 919-22 (2002)
BindingDB Entry DOI: 10.7270/Q28C9VJT |
More data for this
Ligand-Target Pair | |
Plasminogen
(Homo sapiens (Human)) | BDBM50111958
(1-(4-Amino-quinazolin-7-ylmethyl)-4-(6-chloro-1H-b...)Show SMILES Nc1ncnc2cc(CN3CCN(CC3=O)S(=O)(=O)c3nc4ccc(Cl)cc4[nH]3)ccc12 Show InChI InChI=1S/C20H18ClN7O3S/c21-13-2-4-15-17(8-13)26-20(25-15)32(30,31)28-6-5-27(18(29)10-28)9-12-1-3-14-16(7-12)23-11-24-19(14)22/h1-4,7-8,11H,5-6,9-10H2,(H,25,26)(H2,22,23,24) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| PubMed
| >7.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharmaceuticals
Curated by ChEMBL
| Assay Description
Tested for inhibitory activity against plasmin |
Bioorg Med Chem Lett 12: 919-22 (2002)
BindingDB Entry DOI: 10.7270/Q28C9VJT |
More data for this
Ligand-Target Pair | |
Tissue-type plasminogen activator
(Homo sapiens (Human)) | BDBM50111957
(1-(4-Amino-quinazolin-7-ylmethyl)-4-(5-chloro-1H-i...)Show SMILES Nc1ncnc2cc(CN3CCN(Cc4cc5cc(Cl)ccc5[nH]4)CC3=O)ccc12 Show InChI InChI=1S/C22H21ClN6O/c23-16-2-4-19-15(8-16)9-17(27-19)11-28-5-6-29(21(30)12-28)10-14-1-3-18-20(7-14)25-13-26-22(18)24/h1-4,7-9,13,27H,5-6,10-12H2,(H2,24,25,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| >8.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharmaceuticals
Curated by ChEMBL
| Assay Description
Tested for inhibitory activity against Tissue plasminogen activator |
Bioorg Med Chem Lett 12: 919-22 (2002)
BindingDB Entry DOI: 10.7270/Q28C9VJT |
More data for this
Ligand-Target Pair | |
Tissue-type plasminogen activator
(Homo sapiens (Human)) | BDBM50111958
(1-(4-Amino-quinazolin-7-ylmethyl)-4-(6-chloro-1H-b...)Show SMILES Nc1ncnc2cc(CN3CCN(CC3=O)S(=O)(=O)c3nc4ccc(Cl)cc4[nH]3)ccc12 Show InChI InChI=1S/C20H18ClN7O3S/c21-13-2-4-15-17(8-13)26-20(25-15)32(30,31)28-6-5-27(18(29)10-28)9-12-1-3-14-16(7-12)23-11-24-19(14)22/h1-4,7-8,11H,5-6,9-10H2,(H,25,26)(H2,22,23,24) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| PubMed
| >8.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharmaceuticals
Curated by ChEMBL
| Assay Description
Tested for inhibitory activity against Tissue plasminogen activator |
Bioorg Med Chem Lett 12: 919-22 (2002)
BindingDB Entry DOI: 10.7270/Q28C9VJT |
More data for this
Ligand-Target Pair | |
Tissue-type plasminogen activator
(Homo sapiens (Human)) | BDBM50111955
(1-(4-Amino-quinazolin-7-ylmethyl)-4-(6-chloro-1H-b...)Show SMILES Nc1ncnc2cc(CN3CCN(Cc4nc5ccc(Cl)cc5[nH]4)CC3=O)ccc12 Show InChI InChI=1S/C21H20ClN7O/c22-14-2-4-16-18(8-14)27-19(26-16)10-28-5-6-29(20(30)11-28)9-13-1-3-15-17(7-13)24-12-25-21(15)23/h1-4,7-8,12H,5-6,9-11H2,(H,26,27)(H2,23,24,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| >8.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharmaceuticals
Curated by ChEMBL
| Assay Description
Tested for inhibitory activity against Tissue plasminogen activator |
Bioorg Med Chem Lett 12: 919-22 (2002)
BindingDB Entry DOI: 10.7270/Q28C9VJT |
More data for this
Ligand-Target Pair | |
Vitamin K-dependent protein C
(Homo sapiens (Human)) | BDBM50111957
(1-(4-Amino-quinazolin-7-ylmethyl)-4-(5-chloro-1H-i...)Show SMILES Nc1ncnc2cc(CN3CCN(Cc4cc5cc(Cl)ccc5[nH]4)CC3=O)ccc12 Show InChI InChI=1S/C22H21ClN6O/c23-16-2-4-19-15(8-16)9-17(27-19)11-28-5-6-29(21(30)12-28)10-14-1-3-18-20(7-14)25-13-26-22(18)24/h1-4,7-9,13,27H,5-6,10-12H2,(H2,24,25,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| >1.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharmaceuticals
Curated by ChEMBL
| Assay Description
Tested for inhibitory activity against Activated protein C |
Bioorg Med Chem Lett 12: 919-22 (2002)
BindingDB Entry DOI: 10.7270/Q28C9VJT |
More data for this
Ligand-Target Pair | |
Vitamin K-dependent protein C
(Homo sapiens (Human)) | BDBM50111958
(1-(4-Amino-quinazolin-7-ylmethyl)-4-(6-chloro-1H-b...)Show SMILES Nc1ncnc2cc(CN3CCN(CC3=O)S(=O)(=O)c3nc4ccc(Cl)cc4[nH]3)ccc12 Show InChI InChI=1S/C20H18ClN7O3S/c21-13-2-4-15-17(8-13)26-20(25-15)32(30,31)28-6-5-27(18(29)10-28)9-12-1-3-14-16(7-12)23-11-24-19(14)22/h1-4,7-8,11H,5-6,9-10H2,(H,25,26)(H2,22,23,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| PubMed
| >1.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharmaceuticals
Curated by ChEMBL
| Assay Description
Tested for inhibitory activity against Activated protein C |
Bioorg Med Chem Lett 12: 919-22 (2002)
BindingDB Entry DOI: 10.7270/Q28C9VJT |
More data for this
Ligand-Target Pair | |
Vitamin K-dependent protein C
(Homo sapiens (Human)) | BDBM50111955
(1-(4-Amino-quinazolin-7-ylmethyl)-4-(6-chloro-1H-b...)Show SMILES Nc1ncnc2cc(CN3CCN(Cc4nc5ccc(Cl)cc5[nH]4)CC3=O)ccc12 Show InChI InChI=1S/C21H20ClN7O/c22-14-2-4-16-18(8-14)27-19(26-16)10-28-5-6-29(20(30)11-28)9-13-1-3-15-17(7-13)24-12-25-21(15)23/h1-4,7-8,12H,5-6,9-11H2,(H,26,27)(H2,23,24,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| >1.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharmaceuticals
Curated by ChEMBL
| Assay Description
Tested for inhibitory activity against Activated protein C |
Bioorg Med Chem Lett 12: 919-22 (2002)
BindingDB Entry DOI: 10.7270/Q28C9VJT |
More data for this
Ligand-Target Pair | |
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