Found 39109 hits with Last Name = 'lu' and Initial = 'j' 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)) | BDBM50096105
(2-(3-Carbamimidoyl-phenyl)-5-trifluoromethyl-2H-py...)Show SMILES NC(=N)c1cccc(c1)-n1nc(cc1C(=O)Nc1ncc(cn1)-c1ccccc1S(N)(=O)=O)C(F)(F)F Show InChI InChI=1S/C22H17F3N8O3S/c23-22(24,25)18-9-16(33(32-18)14-5-3-4-12(8-14)19(26)27)20(34)31-21-29-10-13(11-30-21)15-6-1-2-7-17(15)37(28,35)36/h1-11H,(H3,26,27)(H2,28,35,36)(H,29,30,31,34) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| 0.00100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Pharmaceuticals Company
Curated by ChEMBL
| Assay Description Binding affinity against human coagulation factor X |
J Med Chem 44: 566-78 (2001)
BindingDB Entry DOI: 10.7270/Q2RF5VQK |
More data for this Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50292202
(CHEMBL382542 | N-(2-Aminomethyl-5-chloro-benzyl)-2...)Show SMILES NCc1ccc(Cl)cc1CNC(=O)Cc1c(ccc(NCC(F)(F)c2ccccn2)[n+]1[O-])C#N Show InChI InChI=1S/C23H21ClF2N6O2/c24-18-6-4-15(11-27)17(9-18)13-30-22(33)10-19-16(12-28)5-7-21(32(19)34)31-14-23(25,26)20-3-1-2-8-29-20/h1-9,31H,10-11,13-14,27H2,(H,30,33) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.00100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Binding affinity against thrombin in human plasma |
Bioorg Med Chem Lett 15: 2771-5 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.110 BindingDB Entry DOI: 10.7270/Q2PN96C6 |
More data for this Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50147818
((2-[6-CHLORO-3-{[2,2-DIFLUORO-2-(1-OXIDOPYRIDIN-2-...)Show SMILES [O-][n+]1ccccc1C(F)(F)CNc1ncc(Cl)n(CC(=O)NCc2cc(Cl)ccc2-n2cnnn2)c1=O Show InChI InChI=1S/C21H17Cl2F2N9O3/c22-14-4-5-15(33-12-29-30-31-33)13(7-14)8-26-18(35)10-32-17(23)9-27-19(20(32)36)28-11-21(24,25)16-3-1-2-6-34(16)37/h1-7,9,12H,8,10-11H2,(H,26,35)(H,27,28) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| 0.00140 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibitory potency against human thrombin |
J Med Chem 47: 2995-3008 (2004)
Article DOI: 10.1021/jm030303e BindingDB Entry DOI: 10.7270/Q270826B |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Caspase-3
(Homo sapiens (Human)) | BDBM50160957
(CHEMBL179503 | [3-(2-{5-tert-Butyl-3-[(4-methyl-fu...)Show SMILES CCCCC[NH+](C)CC(=O)C(CC(O)=O)NC(=O)C(CC)n1cc(nc(NCc2nonc2C)c1=O)C(C)(C)C Show InChI InChI=1S/C27H43N7O6/c1-8-10-11-12-33(7)15-21(35)18(13-23(36)37)29-25(38)20(9-2)34-16-22(27(4,5)6)30-24(26(34)39)28-14-19-17(3)31-40-32-19/h16,18,20H,8-15H2,1-7H3,(H,28,30)(H,29,38)(H,36,37)/p+1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.00140 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research
Curated by ChEMBL
| Assay Description Inhibitory concentration against recombinant human caspase-3 in neuronal precursor (NT2) cells |
Bioorg Med Chem Lett 15: 1173-80 (2005)
Article DOI: 10.1016/j.bmcl.2004.12.006 BindingDB Entry DOI: 10.7270/Q2D50MGS |
More data for this Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50147824
(2-[6-Chloro-3-(2,2-difluoro-2-pyridin-2-yl-ethylam...)Show SMILES FC(F)(CNc1ncc(Cl)n(CC(=O)NCc2cc(Cl)ccc2-n2cnnn2)c1=O)c1ccccn1 Show InChI InChI=1S/C21H17Cl2F2N9O2/c22-14-4-5-15(34-12-30-31-32-34)13(7-14)8-27-18(35)10-33-17(23)9-28-19(20(33)36)29-11-21(24,25)16-3-1-2-6-26-16/h1-7,9,12H,8,10-11H2,(H,27,35)(H,28,29) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 0.00150 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibitory potency against human thrombin |
J Med Chem 47: 2995-3008 (2004)
Article DOI: 10.1021/jm030303e BindingDB Entry DOI: 10.7270/Q270826B |
More data for this Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50292203
(CHEMBL196030 | N-(5-Chloro-2-tetrazol-1-yl-benzyl)...)Show SMILES ON1C(CCC(C#N)=C1CC(=O)NCc1cc(Cl)ccc1-n1cnnn1)=NCC(F)(F)c1ccccn1 |w:26.29,c:7| Show InChI InChI=1S/C23H20ClF2N9O2/c24-17-5-6-18(34-14-31-32-33-34)16(9-17)12-29-22(36)10-19-15(11-27)4-7-21(35(19)37)30-13-23(25,26)20-3-1-2-8-28-20/h1-3,5-6,8-9,14,37H,4,7,10,12-13H2,(H,29,36) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.00200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Binding affinity against thrombin in human plasma |
Bioorg Med Chem Lett 15: 2771-5 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.110 BindingDB Entry DOI: 10.7270/Q2PN96C6 |
More data for this Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50133524
(CHEMBL419773 | N-(2-Aminomethyl-5-chloro-benzyl)-2...)Show SMILES NCc1ccc(Cl)cc1CNC(=O)Cn1c(Cl)cnc(NCC(F)(F)c2cccc[n+]2[O-])c1=O Show InChI InChI=1S/C21H20Cl2F2N6O3/c22-15-5-4-13(8-26)14(7-15)9-27-18(32)11-30-17(23)10-28-19(20(30)33)29-12-21(24,25)16-3-1-2-6-31(16)34/h1-7,10H,8-9,11-12,26H2,(H,27,32)(H,28,29) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 0.00340 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibitory constant evaluated against thrombin (Factor IIa) |
Bioorg Med Chem Lett 13: 3477-82 (2003)
BindingDB Entry DOI: 10.7270/Q29P3119 |
More data for this Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50096099
(2-(3-Carbamimidoyl-phenyl)-5-methyl-2H-pyrazole-3-...)Show SMILES Cc1cc(C(=O)Nc2ccc(cc2F)-c2ccccc2S(N)(=O)=O)n(n1)-c1cccc(c1)C(N)=N Show InChI InChI=1S/C24H21FN6O3S/c1-14-11-21(31(30-14)17-6-4-5-16(12-17)23(26)27)24(32)29-20-10-9-15(13-19(20)25)18-7-2-3-8-22(18)35(28,33)34/h2-13H,1H3,(H3,26,27)(H,29,32)(H2,28,33,34) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| 0.00500 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Pharmaceuticals Company
Curated by ChEMBL
| Assay Description Binding affinity against human coagulation factor X |
J Med Chem 44: 566-78 (2001)
BindingDB Entry DOI: 10.7270/Q2RF5VQK |
More data for this Ligand-Target Pair | |
Caspase-3
(Homo sapiens (Human)) | BDBM50160974
(CHEMBL366927 | [3-(2-{5-tert-Butyl-3-[(4-methyl-fu...)Show SMILES CCCCCC[NH+](C)CC(=O)C(CC(O)=O)NC(=O)C(CC)n1cc(nc(NCc2nonc2C)c1=O)C(C)(C)C Show InChI InChI=1S/C28H45N7O6/c1-8-10-11-12-13-34(7)16-22(36)19(14-24(37)38)30-26(39)21(9-2)35-17-23(28(4,5)6)31-25(27(35)40)29-15-20-18(3)32-41-33-20/h17,19,21H,8-16H2,1-7H3,(H,29,31)(H,30,39)(H,37,38)/p+1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.00500 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research
Curated by ChEMBL
| Assay Description Inhibitory concentration against recombinant human caspase-3 in neuronal precursor (NT2) cells |
Bioorg Med Chem Lett 15: 1173-80 (2005)
Article DOI: 10.1016/j.bmcl.2004.12.006 BindingDB Entry DOI: 10.7270/Q2D50MGS |
More data for this Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50377655
(CHEMBL260160)Show SMILES COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1ccc(cc1F)-n1ccccc1=O Show InChI InChI=1S/C25H17Cl2FN4O4/c1-36-20-11-15(27)10-18(25(35)30-21-8-5-14(26)13-29-21)23(20)31-24(34)17-7-6-16(12-19(17)28)32-9-3-2-4-22(32)33/h2-13H,1H3,(H,31,34)(H,29,30,35) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.00500 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description Inhibition of human factor 10a |
Bioorg Med Chem Lett 18: 2845-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.092 BindingDB Entry DOI: 10.7270/Q2611169 |
More data for this Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50096101
(2-(3-Carbamimidoyl-phenyl)-5-methyl-2H-pyrazole-3-...)Show SMILES Cc1cc(C(=O)Nc2ccc(cn2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cccc(c1)C(N)=N Show InChI InChI=1S/C23H21N7O3S/c1-14-11-19(30(29-14)17-6-4-5-15(12-17)22(24)25)23(31)28-21-10-9-16(13-27-21)18-7-2-3-8-20(18)34(26,32)33/h2-13H,1H3,(H3,24,25)(H2,26,32,33)(H,27,28,31) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| 0.00700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Pharmaceuticals Company
Curated by ChEMBL
| Assay Description Binding affinity against human coagulation factor X |
J Med Chem 44: 566-78 (2001)
BindingDB Entry DOI: 10.7270/Q2RF5VQK |
More data for this Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50096091
(2-(3-Carbamimidoyl-phenyl)-5-methyl-2H-pyrazole-3-...)Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(C)(=O)=O)n(n1)-c1cccc(c1)C(N)=N Show InChI InChI=1S/C25H23N5O3S/c1-16-14-22(30(29-16)20-7-5-6-18(15-20)24(26)27)25(31)28-19-12-10-17(11-13-19)21-8-3-4-9-23(21)34(2,32)33/h3-15H,1-2H3,(H3,26,27)(H,28,31) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| 0.00800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Pharmaceuticals Company
Curated by ChEMBL
| Assay Description Binding affinity against human coagulation factor X |
J Med Chem 44: 566-78 (2001)
BindingDB Entry DOI: 10.7270/Q2RF5VQK |
More data for this Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50096110
(2-(3-Carbamimidoyl-phenyl)-5-trifluoromethyl-2H-py...)Show SMILES CS(=O)(=O)c1ccccc1-c1ccc(NC(=O)c2cc(nn2-c2cccc(c2)C(N)=N)C(F)(F)F)cc1 Show InChI InChI=1S/C25H20F3N5O3S/c1-37(35,36)21-8-3-2-7-19(21)15-9-11-17(12-10-15)31-24(34)20-14-22(25(26,27)28)32-33(20)18-6-4-5-16(13-18)23(29)30/h2-14H,1H3,(H3,29,30)(H,31,34) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| 0.00800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Pharmaceuticals Company
Curated by ChEMBL
| Assay Description Binding affinity against human coagulation factor X |
J Med Chem 44: 566-78 (2001)
BindingDB Entry DOI: 10.7270/Q2RF5VQK |
More data for this Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50096108
(2-(3-Carbamimidoyl-phenyl)-5-trifluoromethyl-2H-py...)Show SMILES NC(=N)c1cccc(c1)-n1nc(cc1C(=O)Nc1ccc(cn1)-c1ccccc1S(N)(=O)=O)C(F)(F)F Show InChI InChI=1S/C23H18F3N7O3S/c24-23(25,26)19-11-17(33(32-19)15-5-3-4-13(10-15)21(27)28)22(34)31-20-9-8-14(12-30-20)16-6-1-2-7-18(16)37(29,35)36/h1-12H,(H3,27,28)(H2,29,35,36)(H,30,31,34) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| 0.00900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Pharmaceuticals Company
Curated by ChEMBL
| Assay Description Binding affinity against human coagulation factor X |
J Med Chem 44: 566-78 (2001)
BindingDB Entry DOI: 10.7270/Q2RF5VQK |
More data for this Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50096085
(2-(3-Carbamimidoyl-phenyl)-5-methyl-2H-pyrazole-3-...)Show SMILES Cc1cc(C(=O)Nc2ccc(cc2Cl)-c2ccccc2S(N)(=O)=O)n(n1)-c1cccc(c1)C(N)=N Show InChI InChI=1S/C24H21ClN6O3S/c1-14-11-21(31(30-14)17-6-4-5-16(12-17)23(26)27)24(32)29-20-10-9-15(13-19(20)25)18-7-2-3-8-22(18)35(28,33)34/h2-13H,1H3,(H3,26,27)(H,29,32)(H2,28,33,34) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| 0.00900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Pharmaceuticals Company
Curated by ChEMBL
| Assay Description Binding affinity against human coagulation factor X |
J Med Chem 44: 566-78 (2001)
BindingDB Entry DOI: 10.7270/Q2RF5VQK |
More data for this Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50096098
(2-(3-Carbamimidoyl-phenyl)-5-methyl-2H-pyrazole-3-...)Show SMILES Cc1cc(C(=O)Nc2ccc(cc2Br)-c2ccccc2S(N)(=O)=O)n(n1)-c1cccc(c1)C(N)=N Show InChI InChI=1S/C24H21BrN6O3S/c1-14-11-21(31(30-14)17-6-4-5-16(12-17)23(26)27)24(32)29-20-10-9-15(13-19(20)25)18-7-2-3-8-22(18)35(28,33)34/h2-13H,1H3,(H3,26,27)(H,29,32)(H2,28,33,34) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| 0.0100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Pharmaceuticals Company
Curated by ChEMBL
| Assay Description Binding affinity against human coagulation factor X |
J Med Chem 44: 566-78 (2001)
BindingDB Entry DOI: 10.7270/Q2RF5VQK |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4
(Homo sapiens (Human)) | BDBM50049757
(()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...)Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 0.0120 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Barrow Neurological Institute
Curated by PDSP Ki Database
| |
Mol Pharmacol 64: 1283-94 (2003)
Article DOI: 10.1124/mol.64.6.1283 BindingDB Entry DOI: 10.7270/Q2GF0S2V |
More data for this Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM12751
(1-(3-carbamimidoylphenyl)-3-methyl-N-[4-(2-sulfamo...)Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cccc(c1)C(N)=N Show InChI InChI=1S/C24H22N6O3S/c1-15-13-21(30(29-15)19-6-4-5-17(14-19)23(25)26)24(31)28-18-11-9-16(10-12-18)20-7-2-3-8-22(20)34(27,32)33/h2-14H,1H3,(H3,25,26)(H,28,31)(H2,27,32,33) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 0.0130 | -61.5 | n/a | n/a | n/a | n/a | n/a | 7.0 | 22 |
Bristol-Myers Squibb Company
| Assay Description Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter... |
Bioorg Med Chem Lett 14: 5263-7 (2004)
Article DOI: 10.1016/j.bmcl.2004.08.034 BindingDB Entry DOI: 10.7270/Q2TH8JX0 |
More data for this Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50147793
(CHEMBL323583 | N-(5-Chloro-2-tetrazol-1-yl-benzyl)...)Show SMILES [O-][n+]1ccccc1C(F)(F)CNc1nccn(CC(=O)NCc2cc(Cl)ccc2-n2cnnn2)c1=O Show InChI InChI=1S/C21H18ClF2N9O3/c22-15-4-5-16(32-13-28-29-30-32)14(9-15)10-26-18(34)11-31-8-6-25-19(20(31)35)27-12-21(23,24)17-3-1-2-7-33(17)36/h1-9,13H,10-12H2,(H,25,27)(H,26,34) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 0.0130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibitory potency against human thrombin |
J Med Chem 47: 2995-3008 (2004)
Article DOI: 10.1021/jm030303e BindingDB Entry DOI: 10.7270/Q270826B |
More data for this Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM12751
(1-(3-carbamimidoylphenyl)-3-methyl-N-[4-(2-sulfamo...)Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cccc(c1)C(N)=N Show InChI InChI=1S/C24H22N6O3S/c1-15-13-21(30(29-15)19-6-4-5-17(14-19)23(25)26)24(31)28-18-11-9-16(10-12-18)20-7-2-3-8-22(20)34(27,32)33/h2-14H,1H3,(H3,25,26)(H,28,31)(H2,27,32,33) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 0.0130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Tested in vitro for inhibition of human Coagulation factor X |
J Med Chem 46: 5298-315 (2003)
Article DOI: 10.1021/jm030212h BindingDB Entry DOI: 10.7270/Q2ZW1MP2 |
More data for this Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50374877
(CHEMBL270221)Show SMILES CN(C)CCN(C)C(=O)CN(C1CCCN(C1=O)c1ccc(cc1F)-n1ccccc1=O)S(=O)(=O)c1cc2ccc(Cl)nc2s1 |w:11.10| Show InChI InChI=1S/C30H32ClFN6O5S2/c1-34(2)15-16-35(3)27(40)19-38(45(42,43)28-17-20-9-12-25(31)33-29(20)44-28)24-7-6-14-37(30(24)41)23-11-10-21(18-22(23)32)36-13-5-4-8-26(36)39/h4-5,8-13,17-18,24H,6-7,14-16,19H2,1-3H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.0130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description Inhibition of human factor 10a |
Bioorg Med Chem Lett 18: 2428-33 (2008)
Article DOI: 10.1016/j.bmcl.2008.02.054 BindingDB Entry DOI: 10.7270/Q2RX9CZ8 |
More data for this Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50377635
(CHEMBL402980)Show SMILES COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1ccc(cc1)-n1ccccc1=O Show InChI InChI=1S/C25H18Cl2N4O4/c1-35-20-13-17(27)12-19(25(34)29-21-10-7-16(26)14-28-21)23(20)30-24(33)15-5-8-18(9-6-15)31-11-3-2-4-22(31)32/h2-14H,1H3,(H,30,33)(H,28,29,34) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.0130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description Inhibition of human factor 10a |
Bioorg Med Chem Lett 18: 2845-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.092 BindingDB Entry DOI: 10.7270/Q2611169 |
More data for this Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM12751
(1-(3-carbamimidoylphenyl)-3-methyl-N-[4-(2-sulfamo...)Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cccc(c1)C(N)=N Show InChI InChI=1S/C24H22N6O3S/c1-15-13-21(30(29-15)19-6-4-5-17(14-19)23(25)26)24(31)28-18-11-9-16(10-12-18)20-7-2-3-8-22(20)34(27,32)33/h2-14H,1H3,(H3,25,26)(H,28,31)(H2,27,32,33) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 0.0130 | -61.5 | n/a | n/a | n/a | n/a | n/a | 7.0 | 22 |
Bristol-Myers Squibb Company
| Assay Description Ki values were obtained from purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were determined ... |
J Med Chem 46: 4405-18 (2003)
Article DOI: 10.1021/jm020578e BindingDB Entry DOI: 10.7270/Q2TT4P78 |
More data for this Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM12751
(1-(3-carbamimidoylphenyl)-3-methyl-N-[4-(2-sulfamo...)Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cccc(c1)C(N)=N Show InChI InChI=1S/C24H22N6O3S/c1-15-13-21(30(29-15)19-6-4-5-17(14-19)23(25)26)24(31)28-18-11-9-16(10-12-18)20-7-2-3-8-22(20)34(27,32)33/h2-14H,1H3,(H3,25,26)(H,28,31)(H2,27,32,33) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| 0.0130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Pharmaceuticals Company
Curated by ChEMBL
| Assay Description Binding affinity against human coagulation factor X |
J Med Chem 44: 566-78 (2001)
BindingDB Entry DOI: 10.7270/Q2RF5VQK |
More data for this Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50096111
(2-(3-Carbamimidoyl-phenyl)-5-trifluoromethyl-2H-py...)Show SMILES NC(=N)c1cccc(c1)-n1nc(cc1C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O)C(F)(F)F Show InChI InChI=1S/C24H19F3N6O3S/c25-24(26,27)21-13-19(33(32-21)17-5-3-4-15(12-17)22(28)29)23(34)31-16-10-8-14(9-11-16)18-6-1-2-7-20(18)37(30,35)36/h1-13H,(H3,28,29)(H,31,34)(H2,30,35,36) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 0.0150 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Pharmaceuticals Company
Curated by ChEMBL
| Assay Description Binding affinity against human coagulation factor X |
J Med Chem 44: 566-78 (2001)
BindingDB Entry DOI: 10.7270/Q2RF5VQK |
More data for this Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50337452
(2-(4-chloro-2-((2-(6-methyl-2-oxo-3-(2-(pyridin-2-...)Show SMILES Cc1cnc(NCCc2ccccn2)c(=O)n1CC(=O)NCc1cc(Cl)ccc1OCC(=O)NC1CC1 Show InChI InChI=1S/C26H29ClN6O4/c1-17-13-31-25(29-11-9-20-4-2-3-10-28-20)26(36)33(17)15-23(34)30-14-18-12-19(27)5-8-22(18)37-16-24(35)32-21-6-7-21/h2-5,8,10,12-13,21H,6-7,9,11,14-16H2,1H3,(H,29,31)(H,30,34)(H,32,35) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.0150 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of thrombin |
Bioorg Med Chem Lett 21: 1532-5 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.108 BindingDB Entry DOI: 10.7270/Q2ZS2WS2 |
More data for this Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50374879
(CHEMBL401958)Show SMILES CN(C)CCN(C)C(=O)CN([C@H]1CCCN(C1=O)c1ccc(cc1F)-n1ccccc1=O)S(=O)(=O)c1ccc2cc(Cl)ccc2c1 Show InChI InChI=1S/C33H35ClFN5O5S/c1-36(2)17-18-37(3)32(42)22-40(46(44,45)27-13-10-23-19-25(34)11-9-24(23)20-27)30-7-6-16-39(33(30)43)29-14-12-26(21-28(29)35)38-15-5-4-8-31(38)41/h4-5,8-15,19-21,30H,6-7,16-18,22H2,1-3H3/t30-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.0160 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description Inhibition of human factor 10a |
Bioorg Med Chem Lett 18: 2428-33 (2008)
Article DOI: 10.1016/j.bmcl.2008.02.054 BindingDB Entry DOI: 10.7270/Q2RX9CZ8 |
More data for this Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50147788
(CHEMBL103874 | N-(5-Chloro-2-tetrazol-1-yl-benzyl)...)Show SMILES Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NCc1cc(Cl)ccc1-n1cnnn1 Show InChI InChI=1S/C23H22ClN7O4S/c1-16-7-9-20(27-36(34,35)14-17-5-3-2-4-6-17)23(33)30(16)13-22(32)25-12-18-11-19(24)8-10-21(18)31-15-26-28-29-31/h2-11,15,27H,12-14H2,1H3,(H,25,32) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 0.0180 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibitory potency against human thrombin |
J Med Chem 47: 2995-3008 (2004)
Article DOI: 10.1021/jm030303e BindingDB Entry DOI: 10.7270/Q270826B |
More data for this Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM12852
(4-{[2-(4-{[1-(3-amino-1,2-benzoxazol-5-yl)-3-(trif...)Show SMILES C[N+]1(Cc2ccccc2-c2ccc(NC(=O)c3cc(nn3-c3ccc4onc(N)c4c3)C(F)(F)F)c(F)c2)CCOCC1 Show InChI InChI=1S/C30H26F4N6O3/c1-40(10-12-42-13-11-40)17-19-4-2-3-5-21(19)18-6-8-24(23(31)14-18)36-29(41)25-16-27(30(32,33)34)37-39(25)20-7-9-26-22(15-20)28(35)38-43-26/h2-9,14-16H,10-13,17H2,1H3,(H2-,35,36,38,41)/p+1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 0.0200 | -60.5 | n/a | n/a | n/a | n/a | n/a | 7.0 | 22 |
Bristol-Myers Squibb Pharmaceutical Research Institute
| Assay Description Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter... |
Bioorg Med Chem Lett 16: 1795-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.010 BindingDB Entry DOI: 10.7270/Q2FB515N |
More data for this Ligand-Target Pair | |
Protein arginine N-methyltransferase 5
(Homo sapiens (Human)) | BDBM415557
(US10428104, Example 88)Show SMILES Nc1ncnc2n(ccc12)[C@@H]1O[C@H]([C@H](O)c2ccc(Cl)c(F)c2)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C17H16ClFN4O4/c18-9-2-1-7(5-10(9)19)11(24)14-12(25)13(26)17(27-14)23-4-3-8-15(20)21-6-22-16(8)23/h1-6,11-14,17,24-26H,(H2,20,21,22)/t11-,12+,13-,14-,17-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
| PDB Article PubMed
| 0.0200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Prelude Therapeutics
Curated by ChEMBL
| Assay Description Inhibition of PRMT5 (unknown origin) |
Bioorg Med Chem Lett 29: 1264-1269 (2019)
Article DOI: 10.1016/j.bmcl.2019.03.042 BindingDB Entry DOI: 10.7270/Q2ZC869N |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50374879
(CHEMBL401958)Show SMILES CN(C)CCN(C)C(=O)CN([C@H]1CCCN(C1=O)c1ccc(cc1F)-n1ccccc1=O)S(=O)(=O)c1ccc2cc(Cl)ccc2c1 Show InChI InChI=1S/C33H35ClFN5O5S/c1-36(2)17-18-37(3)32(42)22-40(46(44,45)27-13-10-23-19-25(34)11-9-24(23)20-27)30-7-6-16-39(33(30)43)29-14-12-26(21-28(29)35)38-15-5-4-8-31(38)41/h4-5,8-15,19-21,30H,6-7,16-18,22H2,1-3H3/t30-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.0200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description Inhibition of human factor 10a |
Bioorg Med Chem Lett 18: 2428-33 (2008)
Article DOI: 10.1016/j.bmcl.2008.02.054 BindingDB Entry DOI: 10.7270/Q2RX9CZ8 |
More data for this Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50374878
(CHEMBL270862)Show SMILES Fc1cc(ccc1N1CCCC(NS(=O)(=O)c2cc3ccc(Cl)nc3s2)C1=O)-n1ccccc1=O |w:11.12| Show InChI InChI=1S/C23H18ClFN4O4S2/c24-19-9-6-14-12-21(34-22(14)26-19)35(32,33)27-17-4-3-11-29(23(17)31)18-8-7-15(13-16(18)25)28-10-2-1-5-20(28)30/h1-2,5-10,12-13,17,27H,3-4,11H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.0200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description Inhibition of human factor 10a |
Bioorg Med Chem Lett 18: 2428-33 (2008)
Article DOI: 10.1016/j.bmcl.2008.02.054 BindingDB Entry DOI: 10.7270/Q2RX9CZ8 |
More data for this Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50131480
((S)-20-Benzyl-8,25-dichloro-18-methyl-12-oxa-1,4,1...)Show SMILES CN1CCCCCOc2ccc(Cl)cc2CNC(=O)Cn2c(Cl)cnc(N[C@@H](Cc3ccccc3)C1)c2=O Show InChI InChI=1S/C28H33Cl2N5O3/c1-34-12-6-3-7-13-38-24-11-10-22(29)15-21(24)16-31-26(36)19-35-25(30)17-32-27(28(35)37)33-23(18-34)14-20-8-4-2-5-9-20/h2,4-5,8-11,15,17,23H,3,6-7,12-14,16,18-19H2,1H3,(H,31,36)(H,32,33)/t23-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 0.0200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibitory activity against thrombin IIa |
Bioorg Med Chem Lett 13: 2781-4 (2003)
BindingDB Entry DOI: 10.7270/Q2GF0V2P |
More data for this Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50266214
(6-(4-(1-(2-(dimethylamino)ethyl)cyclopropyl)phenyl...)Show SMILES COc1ccc(cc1)-n1nc(c2CCN(C(=O)c12)c1ccc(cc1)C1(CCN(C)C)CC1)C(F)(F)F Show InChI InChI=1S/C27H29F3N4O2/c1-32(2)17-15-26(13-14-26)18-4-6-19(7-5-18)33-16-12-22-23(25(33)35)34(31-24(22)27(28,29)30)20-8-10-21(36-3)11-9-20/h4-11H,12-17H2,1-3H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 0.0200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description Binding affinity to human coagulation factor 10a |
Bioorg Med Chem Lett 19: 462-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.11.049 BindingDB Entry DOI: 10.7270/Q2M908HB |
More data for this Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50096096
(2-(3-Carbamimidoyl-phenyl)-5-methyl-2H-pyrazole-3-...)Show SMILES Cc1cc(C(=O)Nc2ccc(cc2F)-c2ccccc2S(C)(=O)=O)n(n1)-c1cccc(c1)C(N)=N Show InChI InChI=1S/C25H22FN5O3S/c1-15-12-22(31(30-15)18-7-5-6-17(13-18)24(27)28)25(32)29-21-11-10-16(14-20(21)26)19-8-3-4-9-23(19)35(2,33)34/h3-14H,1-2H3,(H3,27,28)(H,29,32) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 0.0200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Pharmaceuticals Company
Curated by ChEMBL
| Assay Description Binding affinity against human coagulation factor X |
J Med Chem 44: 566-78 (2001)
BindingDB Entry DOI: 10.7270/Q2RF5VQK |
More data for this Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50266249
(6-(4-(1-(4,5-dihydro-1H-imidazol-2-yl)cyclopropyl)...)Show SMILES COc1ccc(cc1)-n1nc(c2CCN(C(=O)c12)c1ccc(cc1)C1(CC1)C1=NCCN1)C(F)(F)F |t:32| Show InChI InChI=1S/C26H24F3N5O2/c1-36-19-8-6-18(7-9-19)34-21-20(22(32-34)26(27,28)29)10-15-33(23(21)35)17-4-2-16(3-5-17)25(11-12-25)24-30-13-14-31-24/h2-9H,10-15H2,1H3,(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
| 0.0200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description Binding affinity to human coagulation factor 10a |
Bioorg Med Chem Lett 19: 462-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.11.049 BindingDB Entry DOI: 10.7270/Q2M908HB |
More data for this Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50266215
(1-(4-methoxyphenyl)-6-(4-(1-(2-(pyrrolidin-1-yl)et...)Show SMILES COc1ccc(cc1)-n1nc(c2CCN(C(=O)c12)c1ccc(cc1)C1(CCN2CCCC2)CC1)C(F)(F)F Show InChI InChI=1S/C29H31F3N4O2/c1-38-23-10-8-22(9-11-23)36-25-24(26(33-36)29(30,31)32)12-18-35(27(25)37)21-6-4-20(5-7-21)28(13-14-28)15-19-34-16-2-3-17-34/h4-11H,2-3,12-19H2,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 0.0200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description Binding affinity to human coagulation factor 10a |
Bioorg Med Chem Lett 19: 462-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.11.049 BindingDB Entry DOI: 10.7270/Q2M908HB |
More data for this Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50260646
(CHEMBL4096251)Show SMILES COC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](Cc3ccc(F)c(CCC(=O)Nc2c1)n3)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1 |r| Show InChI InChI=1S/C31H26ClFN10O4/c1-47-31(46)37-20-4-6-21-24(13-20)38-29(45)11-8-23-22(33)7-5-19(36-23)14-25(30-34-15-26(21)40-30)39-28(44)10-2-17-12-18(32)3-9-27(17)43-16-35-41-42-43/h2-7,9-10,12-13,15-16,25H,8,11,14H2,1H3,(H,34,40)(H,37,46)(H,38,45)(H,39,44)/b10-2+/t25-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| 0.0200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company, Research and Development, 350 Carter Road, Hopewell, NJ 08540 United States.
Curated by ChEMBL
| Assay Description Inhibition of human F11a using peptide substrate by spectrophotometry |
Bioorg Med Chem Lett 27: 4056-4060 (2017)
Article DOI: 10.1016/j.bmcl.2017.07.048 BindingDB Entry DOI: 10.7270/Q2TB19B3 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50243592
(1-(4-methoxyphenyl)-6-(4-(1-(pyrrolidin-1-ylmethyl...)Show SMILES COc1ccc(cc1)-n1nc(c2CCN(C(=O)c12)c1ccc(cc1)C1(CN2CCCC2)CC1)C(F)(F)F Show InChI InChI=1S/C28H29F3N4O2/c1-37-22-10-8-21(9-11-22)35-24-23(25(32-35)28(29,30)31)12-17-34(26(24)36)20-6-4-19(5-7-20)27(13-14-27)18-33-15-2-3-16-33/h4-11H,2-3,12-18H2,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Patents
Similars
| MMDB PDB Article PubMed
| 0.0200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description Binding affinity to human coagulation factor 10a |
Bioorg Med Chem Lett 19: 462-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.11.049 BindingDB Entry DOI: 10.7270/Q2M908HB |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50243592
(1-(4-methoxyphenyl)-6-(4-(1-(pyrrolidin-1-ylmethyl...)Show SMILES COc1ccc(cc1)-n1nc(c2CCN(C(=O)c12)c1ccc(cc1)C1(CN2CCCC2)CC1)C(F)(F)F Show InChI InChI=1S/C28H29F3N4O2/c1-37-22-10-8-21(9-11-22)35-24-23(25(32-35)28(29,30)31)12-17-34(26(24)36)20-6-4-19(5-7-20)27(13-14-27)18-33-15-2-3-16-33/h4-11H,2-3,12-18H2,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Patents
Similars
| MMDB PDB Article PubMed
| 0.0210 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description Inhibition of human factor 10a |
Bioorg Med Chem Lett 18: 4118-23 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.095 BindingDB Entry DOI: 10.7270/Q20Z7322 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50089316
(CHEMBL410068 | H-Lys-Arg-Pro-Hyp-Gly-Igl-Ser-D-BT-...)Show SMILES NCCCCC(N)C(=O)NC(CCCNC(N)=N)C(=O)N1CCCC1C(=O)N1CC(O)CC1C(=O)NCC(=O)NC(C1Cc2ccccc2C1)C(=O)NC(CO)C(=O)N[C@@H]1CSc2ccccc2N(CC(O)=O)C1=O Show InChI InChI=1S/C49H69N13O12S/c50-16-6-5-11-31(51)42(68)56-32(12-7-17-54-49(52)53)46(72)60-18-8-14-36(60)48(74)61-23-30(64)21-37(61)44(70)55-22-39(65)59-41(29-19-27-9-1-2-10-28(27)20-29)45(71)57-33(25-63)43(69)58-34-26-75-38-15-4-3-13-35(38)62(47(34)73)24-40(66)67/h1-4,9-10,13,15,29-34,36-37,41,63-64H,5-8,11-12,14,16-26,50-51H2,(H,55,70)(H,56,68)(H,57,71)(H,58,69)(H,59,65)(H,66,67)(H4,52,53,54)/t30?,31?,32?,33?,34-,36?,37?,41?/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 0.0230 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universités Montpellier I et II
Curated by ChEMBL
| Assay Description Binding affinity of the compound towards human cloned B1 receptor was determined using [3H]-[des-Arg10-Leu9]-kallidin as radioligand |
J Med Chem 43: 2387-94 (2000)
BindingDB Entry DOI: 10.7270/Q2N87913 |
More data for this Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50089314
(CHEMBL405182 | H-Lys-Arg-Pro-Hyp-Gly-Igl-Ser-D-BT-...)Show SMILES NCCCCC(N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N1CC(O)C[C@H]1C(=O)NCC(=O)NC(C1Cc2ccccc2C1)C(=O)N[C@@H](CO)C(=O)N[C@@H]1CSc2ccccc2N(CC(O)=O)C1=O Show InChI InChI=1S/C49H69N13O12S/c50-16-6-5-11-31(51)42(68)56-32(12-7-17-54-49(52)53)46(72)60-18-8-14-36(60)48(74)61-23-30(64)21-37(61)44(70)55-22-39(65)59-41(29-19-27-9-1-2-10-28(27)20-29)45(71)57-33(25-63)43(69)58-34-26-75-38-15-4-3-13-35(38)62(47(34)73)24-40(66)67/h1-4,9-10,13,15,29-34,36-37,41,63-64H,5-8,11-12,14,16-26,50-51H2,(H,55,70)(H,56,68)(H,57,71)(H,58,69)(H,59,65)(H,66,67)(H4,52,53,54)/t30?,31?,32-,33+,34-,36+,37+,41?/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 0.0230 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universités Montpellier I et II
Curated by ChEMBL
| Assay Description Ability to bind to human cloned B1 receptor in competition binding experiments with [3H][des-Arg10,Leu9]-Kallidin. |
J Med Chem 43: 2382-6 (2000)
BindingDB Entry DOI: 10.7270/Q2S181QZ |
More data for this Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM12754
(1-(3-carbamimidoylphenyl)-N-(2-fluoro-4-{1H-imidaz...)Show SMILES NC(=N)c1cccc(c1)-n1nc(cc1C(=O)Nc1ccc(cc1F)-n1cnc2ncccc12)C(F)(F)F Show InChI InChI=1S/C24H16F4N8O/c25-16-10-14(35-12-32-22-18(35)5-2-8-31-22)6-7-17(16)33-23(37)19-11-20(24(26,27)28)34-36(19)15-4-1-3-13(9-15)21(29)30/h1-12H,(H3,29,30)(H,33,37) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 0.0240 | -60.0 | n/a | n/a | n/a | n/a | n/a | 7.0 | 22 |
Bristol-Myers Squibb Company
| Assay Description Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter... |
Bioorg Med Chem Lett 14: 5263-7 (2004)
Article DOI: 10.1016/j.bmcl.2004.08.034 BindingDB Entry DOI: 10.7270/Q2TH8JX0 |
More data for this Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50243668
(1-(4-methoxyphenyl)-6-(4-(1-((2-methyl-1H-imidazol...)Show SMILES COc1ccc(cc1)-n1nc(c2CCN(C(=O)c12)c1ccc(cc1)C1(Cn2ccnc2C)CC1)C(F)(F)F Show InChI InChI=1S/C28H26F3N5O2/c1-18-32-14-16-34(18)17-27(12-13-27)19-3-5-20(6-4-19)35-15-11-23-24(26(35)37)36(33-25(23)28(29,30)31)21-7-9-22(38-2)10-8-21/h3-10,14,16H,11-13,15,17H2,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 0.0250 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description Binding affinity to human coagulation factor 10a |
Bioorg Med Chem Lett 19: 462-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.11.049 BindingDB Entry DOI: 10.7270/Q2M908HB |
More data for this Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50243668
(1-(4-methoxyphenyl)-6-(4-(1-((2-methyl-1H-imidazol...)Show SMILES COc1ccc(cc1)-n1nc(c2CCN(C(=O)c12)c1ccc(cc1)C1(Cn2ccnc2C)CC1)C(F)(F)F Show InChI InChI=1S/C28H26F3N5O2/c1-18-32-14-16-34(18)17-27(12-13-27)19-3-5-20(6-4-19)35-15-11-23-24(26(35)37)36(33-25(23)28(29,30)31)21-7-9-22(38-2)10-8-21/h3-10,14,16H,11-13,15,17H2,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 0.0250 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description Inhibition of human factor 10a |
Bioorg Med Chem Lett 18: 4118-23 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.095 BindingDB Entry DOI: 10.7270/Q20Z7322 |
More data for this Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50266047
(1-(4-methoxyphenyl)-7-oxo-6-(4-(1-(pyrrolidin-1-yl...)Show SMILES COc1ccc(cc1)-n1nc(C#N)c2CCN(C(=O)c12)c1ccc(cc1)C1(CN2CCCC2)CC1 Show InChI InChI=1S/C28H29N5O2/c1-35-23-10-8-22(9-11-23)33-26-24(25(18-29)30-33)12-17-32(27(26)34)21-6-4-20(5-7-21)28(13-14-28)19-31-15-2-3-16-31/h4-11H,2-3,12-17,19H2,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.0270 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description Binding affinity to human coagulation factor 10a |
Bioorg Med Chem Lett 19: 462-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.11.049 BindingDB Entry DOI: 10.7270/Q2M908HB |
More data for this Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50377637
(CHEMBL257398)Show SMILES Cc1ccc(NC(=O)c2ccc(cc2)-n2ccccc2=O)c(c1)C(=O)Nc1ccc(Cl)cn1 Show InChI InChI=1S/C25H19ClN4O3/c1-16-5-11-21(20(14-16)25(33)29-22-12-8-18(26)15-27-22)28-24(32)17-6-9-19(10-7-17)30-13-3-2-4-23(30)31/h2-15H,1H3,(H,28,32)(H,27,29,33) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.0280 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description Inhibition of human factor 10a |
Bioorg Med Chem Lett 18: 2845-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.092 BindingDB Entry DOI: 10.7270/Q2611169 |
More data for this Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM12757
(1-(3-carbamimidoylphenyl)-N-(2-fluoro-4-{3H-imidaz...)Show SMILES NC(=N)c1cccc(c1)-n1nc(cc1C(=O)Nc1ccc(cc1F)-n1cnc2cccnc12)C(F)(F)F Show InChI InChI=1S/C24H16F4N8O/c25-16-10-14(35-12-32-18-5-2-8-31-22(18)35)6-7-17(16)33-23(37)19-11-20(24(26,27)28)34-36(19)15-4-1-3-13(9-15)21(29)30/h1-12H,(H3,29,30)(H,33,37) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 0.0280 | -59.6 | n/a | n/a | n/a | n/a | n/a | 7.0 | 22 |
Bristol-Myers Squibb Company
| Assay Description Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter... |
Bioorg Med Chem Lett 14: 5263-7 (2004)
Article DOI: 10.1016/j.bmcl.2004.08.034 BindingDB Entry DOI: 10.7270/Q2TH8JX0 |
More data for this Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM12693
(1-(3-amino-1,2-benzoxazol-5-yl)-6-[4-(2-{[(3R)-3-h...)Show SMILES Nc1noc2ccc(cc12)-n1nc(c2CCN(C(=O)c12)c1ccc(cc1)-c1ccccc1CN1CC[C@@H](O)C1)C(F)(F)F |r| Show InChI InChI=1S/C31H27F3N6O3/c32-31(33,34)28-24-12-14-39(30(42)27(24)40(36-28)21-9-10-26-25(15-21)29(35)37-43-26)20-7-5-18(6-8-20)23-4-2-1-3-19(23)16-38-13-11-22(41)17-38/h1-10,15,22,41H,11-14,16-17H2,(H2,35,37)/t22-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MMDB PC cid PC sid PDB UniChem
Patents
Similars
| MMDB PDB Article PubMed
| 0.0300 | -59.5 | n/a | n/a | n/a | n/a | n/a | 7.0 | 22 |
Bristol-Myers Squibb Pharmaceutical Research Institute
| Assay Description Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter... |
Bioorg Med Chem Lett 16: 4141-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.069 BindingDB Entry DOI: 10.7270/Q26T0JW1 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50230326
(CHEMBL4060950)Show SMILES COC(=O)Nc1ccc2-c3nc([nH]c3Cl)[C@H](C\C=C\CCC(=O)Nc2c1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1 |r,t:18| Show InChI InChI=1S/C28H25Cl2N9O4/c1-43-28(42)32-18-9-10-19-21(14-18)34-23(40)6-4-2-3-5-20(27-35-25(19)26(30)36-27)33-24(41)12-7-16-13-17(29)8-11-22(16)39-15-31-37-38-39/h2-3,7-15,20H,4-6H2,1H3,(H,32,42)(H,33,41)(H,34,40)(H,35,36)/b3-2+,12-7+/t20-/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
| 0.0300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description Inhibition of human Factor XIa using S-2366 as chromogenic substrate after 60 mins by Lineweaver-Burk plot analysis |
Bioorg Med Chem Lett 27: 3833-3839 (2017)
Article DOI: 10.1016/j.bmcl.2017.06.058 BindingDB Entry DOI: 10.7270/Q2GT5QPS |
More data for this Ligand-Target Pair | |