Found 1078 hits with Last Name = 'xin' and Initial = 'b' 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)) | 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)) | 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)) | 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)) | 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 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)) | 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)) | BDBM50243540
(6-(4-(1-((dimethylamino)methyl)cyclopropyl)phenyl)...)Show SMILES COc1ccc(cc1)-n1nc(c2CCN(C(=O)c12)c1ccc(cc1)C1(CN(C)C)CC1)C(F)(F)F Show InChI InChI=1S/C26H27F3N4O2/c1-31(2)16-25(13-14-25)17-4-6-18(7-5-17)32-15-12-21-22(24(32)34)33(30-23(21)26(27,28)29)19-8-10-20(35-3)11-9-19/h4-11H,12-16H2,1-3H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 0.0350 | 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)) | BDBM50266049
(1-(4-methoxyphenyl)-6-(4-(1-(morpholinomethyl)cycl...)Show SMILES COc1ccc(cc1)-n1nc(C(N)=O)c2CCN(C(=O)c12)c1ccc(cc1)C1(CN2CCOCC2)CC1 Show InChI InChI=1S/C28H31N5O4/c1-36-22-8-6-21(7-9-22)33-25-23(24(30-33)26(29)34)10-13-32(27(25)35)20-4-2-19(3-5-20)28(11-12-28)18-31-14-16-37-17-15-31/h2-9H,10-18H2,1H3,(H2,29,34) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 0.0400 | 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)) | BDBM50265826
(6-(4-(1-(dimethylamino)cyclopropyl)phenyl)-1-(4-me...)Show SMILES COc1ccc(cc1)-n1nc(C(N)=O)c2CCN(C(=O)c12)c1ccc(cc1)C1(CC1)N(C)C Show InChI InChI=1S/C25H27N5O3/c1-28(2)25(13-14-25)16-4-6-17(7-5-16)29-15-12-20-21(23(26)31)27-30(22(20)24(29)32)18-8-10-19(33-3)11-9-18/h4-11H,12-15H2,1-3H3,(H2,26,31) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 0.0400 | 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)) | BDBM50266010
(6-(4-(1-((dimethylamino)methyl)cyclopropyl)phenyl)...)Show SMILES COc1ccc(cc1)-n1nc(C(N)=O)c2CCN(C(=O)c12)c1ccc(cc1)C1(CN(C)C)CC1 Show InChI InChI=1S/C26H29N5O3/c1-29(2)16-26(13-14-26)17-4-6-18(7-5-17)30-15-12-21-22(24(27)32)28-31(23(21)25(30)33)19-8-10-20(34-3)11-9-19/h4-11H,12-16H2,1-3H3,(H2,27,32) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 0.0400 | 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)) | BDBM50266009
(6-(4-(1-((dimethylamino)methyl)cyclopropyl)phenyl)...)Show SMILES COc1ccc(cc1)N1N=C(C2CCN(C(=O)C12)c1ccc(cc1)C1(CN(C)C)CC1)S(C)(=O)=O |c:10| Show InChI InChI=1S/C26H32N4O4S/c1-28(2)17-26(14-15-26)18-5-7-19(8-6-18)29-16-13-22-23(25(29)31)30(27-24(22)35(4,32)33)20-9-11-21(34-3)12-10-20/h5-12,22-23H,13-17H2,1-4H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.0500 | 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)) | BDBM50266012
(1-(4-methoxyphenyl)-3-(methylsulfonyl)-6-(4-(1-(py...)Show SMILES COc1ccc(cc1)N1N=C(C2CCN(C(=O)C12)c1ccc(cc1)C1(CN2CCCC2)CC1)S(C)(=O)=O |c:10| Show InChI InChI=1S/C28H34N4O4S/c1-36-23-11-9-22(10-12-23)32-25-24(26(29-32)37(2,34)35)13-18-31(27(25)33)21-7-5-20(6-8-21)28(14-15-28)19-30-16-3-4-17-30/h5-12,24-25H,3-4,13-19H2,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.0500 | 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)) | BDBM50046438
(CHEMBL3359592)Show SMILES COc1ccc(cc1)-n1nc(C(N)=O)c2CCN(C(=O)c12)c1ccc(cc1)C(C)(C)CNC1CC1 Show InChI InChI=1S/C27H31N5O3/c1-27(2,16-29-18-6-7-18)17-4-8-19(9-5-17)31-15-14-22-23(25(28)33)30-32(24(22)26(31)34)20-10-12-21(35-3)13-11-20/h4-5,8-13,18,29H,6-7,14-16H2,1-3H3,(H2,28,33) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.0500 | 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 purified human factor Xa |
Bioorg Med Chem Lett 24: 3341-5 (2014)
Article DOI: 10.1016/j.bmcl.2014.05.101 BindingDB Entry DOI: 10.7270/Q2Z039R1 |
More data for this Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50266011
(6-(4-(1-((dimethylamino)methyl)cyclopropyl)phenyl)...)Show SMILES COc1ccc(cc1)-n1nc(C#N)c2CCN(C(=O)c12)c1ccc(cc1)C1(CN(C)C)CC1 Show InChI InChI=1S/C26H27N5O2/c1-29(2)17-26(13-14-26)18-4-6-19(7-5-18)30-15-12-22-23(16-27)28-31(24(22)25(30)32)20-8-10-21(33-3)11-9-20/h4-11H,12-15,17H2,1-3H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.0500 | 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)) | BDBM50046440
(CHEMBL3314447)Show SMILES COc1ccc(cc1)-n1nc(C(N)=O)c2CCN(C(=O)c12)c1ccc(cc1)C(C)(C)CN1CCCC1 Show InChI InChI=1S/C28H33N5O3/c1-28(2,18-31-15-4-5-16-31)19-6-8-20(9-7-19)32-17-14-23-24(26(29)34)30-33(25(23)27(32)35)21-10-12-22(36-3)13-11-21/h6-13H,4-5,14-18H2,1-3H3,(H2,29,34) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.0500 | 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 purified human factor Xa |
Bioorg Med Chem Lett 24: 3341-5 (2014)
Article DOI: 10.1016/j.bmcl.2014.05.101 BindingDB Entry DOI: 10.7270/Q2Z039R1 |
More data for this Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50243628
(1-(4-methoxyphenyl)-6-(4-(1-(morpholinomethyl)cycl...)Show SMILES COc1ccc(cc1)-n1nc(c2CCN(C(=O)c12)c1ccc(cc1)C1(CN2CCOCC2)CC1)C(F)(F)F Show InChI InChI=1S/C28H29F3N4O3/c1-37-22-8-6-21(7-9-22)35-24-23(25(32-35)28(29,30)31)10-13-34(26(24)36)20-4-2-19(3-5-20)27(11-12-27)18-33-14-16-38-17-15-33/h2-9H,10-18H2,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 0.0600 | 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)) | BDBM50265977
(1-(4-methoxyphenyl)-6-(4-(1-((methylamino)methyl)c...)Show SMILES CNCC1(CC1)c1ccc(cc1)N1CCc2c(nn(c2C1=O)-c1ccc(OC)cc1)C(N)=O Show InChI InChI=1S/C25H27N5O3/c1-27-15-25(12-13-25)16-3-5-17(6-4-16)29-14-11-20-21(23(26)31)28-30(22(20)24(29)32)18-7-9-19(33-2)10-8-18/h3-10,27H,11-15H2,1-2H3,(H2,26,31) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 0.0600 | 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)) | BDBM50046441
(CHEMBL3314448)Show SMILES COc1ccc(cc1)-n1nc(C(N)=O)c2CCN(C(=O)c12)c1ccc(cc1)C(C)(C)CN1CCOCC1 Show InChI InChI=1S/C28H33N5O4/c1-28(2,18-31-14-16-37-17-15-31)19-4-6-20(7-5-19)32-13-12-23-24(26(29)34)30-33(25(23)27(32)35)21-8-10-22(36-3)11-9-21/h4-11H,12-18H2,1-3H3,(H2,29,34) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.0600 | 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 purified human factor Xa |
Bioorg Med Chem Lett 24: 3341-5 (2014)
Article DOI: 10.1016/j.bmcl.2014.05.101 BindingDB Entry DOI: 10.7270/Q2Z039R1 |
More data for this Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50046434
(CHEMBL3314445)Show SMILES COc1ccc(cc1)-n1nc(C(N)=O)c2CCN(C(=O)c12)c1ccc(cc1)C(C)(C)CN(C)C Show InChI InChI=1S/C26H31N5O3/c1-26(2,16-29(3)4)17-6-8-18(9-7-17)30-15-14-21-22(24(27)32)28-31(23(21)25(30)33)19-10-12-20(34-5)13-11-19/h6-13H,14-16H2,1-5H3,(H2,27,32) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.0700 | 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 purified human factor Xa |
Bioorg Med Chem Lett 24: 3341-5 (2014)
Article DOI: 10.1016/j.bmcl.2014.05.101 BindingDB Entry DOI: 10.7270/Q2Z039R1 |
More data for this Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50266080
(1-(4-methoxyphenyl)-6-(4-(1-((2-methyl-1H-imidazol...)Show SMILES COc1ccc(cc1)-n1nc(c2CCN(C(=O)c12)c1ccc(cc1)C1(Cn2ccnc2C)CC1)S(C)(=O)=O Show InChI InChI=1S/C28H29N5O4S/c1-19-29-15-17-31(19)18-28(13-14-28)20-4-6-21(7-5-20)32-16-12-24-25(27(32)34)33(30-26(24)38(3,35)36)22-8-10-23(37-2)11-9-22/h4-11,15,17H,12-14,16,18H2,1-3H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.0700 | 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)) | BDBM50265948
(6-(4-(1-((2-hydroxyethyl)(methyl)amino)cyclopropyl...)Show SMILES COc1ccc(cc1)-n1nc(C(N)=O)c2CCN(C(=O)c12)c1ccc(cc1)C1(CC1)N(C)CCO Show InChI InChI=1S/C26H29N5O4/c1-29(15-16-32)26(12-13-26)17-3-5-18(6-4-17)30-14-11-21-22(24(27)33)28-31(23(21)25(30)34)19-7-9-20(35-2)10-8-19/h3-10,32H,11-16H2,1-2H3,(H2,27,33) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.0700 | 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)) | BDBM50266320
(1-(4-methoxyphenyl)-6-(4-(1-(methylamino)cycloprop...)Show SMILES CNC1(CC1)c1ccc(cc1)N1CCc2c(nn(c2C1=O)-c1ccc(OC)cc1)C(N)=O Show InChI InChI=1S/C24H25N5O3/c1-26-24(12-13-24)15-3-5-16(6-4-15)28-14-11-19-20(22(25)30)27-29(21(19)23(28)31)17-7-9-18(32-2)10-8-17/h3-10,26H,11-14H2,1-2H3,(H2,25,30) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.0700 | 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)) | BDBM18991
(6-[4-(2-{[(3R)-3-hydroxypyrrolidin-1-yl]methyl}phe...)Show SMILES COc1ccc(cc1)-n1nc(C(N)=O)c2CCN(C(=O)c12)c1ccc(cc1)-c1ccccc1CN1CC[C@@H](O)C1 |r| Show InChI InChI=1S/C31H31N5O4/c1-40-25-12-10-23(11-13-25)36-29-27(28(33-36)30(32)38)15-17-35(31(29)39)22-8-6-20(7-9-22)26-5-3-2-4-21(26)18-34-16-14-24(37)19-34/h2-13,24,37H,14-19H2,1H3,(H2,32,38)/t24-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 0.0700 | -57.4 | 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... |
J Med Chem 50: 5339-56 (2007)
Article DOI: 10.1021/jm070245n BindingDB Entry DOI: 10.7270/Q2Q23XJ9 |
More data for this Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50265916
(1-(4-methoxyphenyl)-6-(4-(1-(methylsulfonylmethyl)...)Show SMILES COc1ccc(cc1)-n1nc(C(N)=O)c2CCN(C(=O)c12)c1ccc(cc1)C1(CS(C)(=O)=O)CC1 Show InChI InChI=1S/C25H26N4O5S/c1-34-19-9-7-18(8-10-19)29-22-20(21(27-29)23(26)30)11-14-28(24(22)31)17-5-3-16(4-6-17)25(12-13-25)15-35(2,32)33/h3-10H,11-15H2,1-2H3,(H2,26,30) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.0700 | 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)) | BDBM50266013
(1-(4-methoxyphenyl)-7-oxo-6-(4-(1-(pyrrolidin-1-yl...)Show SMILES COc1ccc(cc1)-n1nc(C(N)=O)c2CCN(C(=O)c12)c1ccc(cc1)C1(CN2CCCC2)CC1 Show InChI InChI=1S/C28H31N5O3/c1-36-22-10-8-21(9-11-22)33-25-23(24(30-33)26(29)34)12-17-32(27(25)35)20-6-4-19(5-7-20)28(13-14-28)18-31-15-2-3-16-31/h4-11H,2-3,12-18H2,1H3,(H2,29,34) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.0700 | 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)) | BDBM50250493
(CHEMBL4068445)Show SMILES CN1CCC2(CCN(CC2)c2cccc3[C@H](N(CCc23)C(=O)\C=C\c2c(F)c(Cl)ccc2-n2cnnn2)C(=O)Nc2ccc(cc2)C(O)=O)C1=O |r| Show InChI InChI=1S/C36H34ClFN8O5/c1-43-18-14-36(35(43)51)15-19-44(20-16-36)28-4-2-3-25-24(28)13-17-45(32(25)33(48)40-23-7-5-22(6-8-23)34(49)50)30(47)12-9-26-29(46-21-39-41-42-46)11-10-27(37)31(26)38/h2-12,21,32H,13-20H2,1H3,(H,40,48)(H,49,50)/b12-9+/t32-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 0.0700 | 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 11a using pyro-Glu-Pro-Arg-pNA as substrate at 37 degC after 10 to 120 mins by spectrophotometric method |
J Med Chem 60: 9703-9723 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01171 BindingDB Entry DOI: 10.7270/Q2K64MHN |
More data for this Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50046521
(CHEMBL3314454)Show SMILES COc1ccc(cc1)-n1nc(C(N)=O)c2CCN(C(=O)c12)c1ccc(cc1)C(C)(C)N1CCCC1 Show InChI InChI=1S/C27H31N5O3/c1-27(2,30-15-4-5-16-30)18-6-8-19(9-7-18)31-17-14-22-23(25(28)33)29-32(24(22)26(31)34)20-10-12-21(35-3)13-11-20/h6-13H,4-5,14-17H2,1-3H3,(H2,28,33) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.0700 | 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 purified human factor Xa |
Bioorg Med Chem Lett 24: 3341-5 (2014)
Article DOI: 10.1016/j.bmcl.2014.05.101 BindingDB Entry DOI: 10.7270/Q2Z039R1 |
More data for this Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50266048
(1-(4-methoxyphenyl)-3-(methylsulfonyl)-6-(4-(1-(mo...)Show SMILES COc1ccc(cc1)-n1nc(c2CCN(C(=O)c12)c1ccc(cc1)C1(CN2CCOCC2)CC1)S(C)(=O)=O Show InChI InChI=1S/C28H32N4O5S/c1-36-23-9-7-22(8-10-23)32-25-24(26(29-32)38(2,34)35)11-14-31(27(25)33)21-5-3-20(4-6-21)28(12-13-28)19-30-15-17-37-18-16-30/h3-10H,11-19H2,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.0800 | 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)) | BDBM19023
(1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-y...)Show SMILES COc1ccc(cc1)-n1nc(C(N)=O)c2CCN(C(=O)c12)c1ccc(cc1)N1CCCCC1=O Show InChI InChI=1S/C25H25N5O4/c1-34-19-11-9-18(10-12-19)30-23-20(22(27-30)24(26)32)13-15-29(25(23)33)17-7-5-16(6-8-17)28-14-3-2-4-21(28)31/h5-12H,2-4,13-15H2,1H3,(H2,26,32) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank MMDB PDB Article PubMed
| 0.0800 | 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 purified human factor Xa |
Bioorg Med Chem Lett 24: 3341-5 (2014)
Article DOI: 10.1016/j.bmcl.2014.05.101 BindingDB Entry DOI: 10.7270/Q2Z039R1 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Coagulation factor X
(Homo sapiens (Human)) | BDBM19023
(1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-y...)Show SMILES COc1ccc(cc1)-n1nc(C(N)=O)c2CCN(C(=O)c12)c1ccc(cc1)N1CCCCC1=O Show InChI InChI=1S/C25H25N5O4/c1-34-19-11-9-18(10-12-19)30-23-20(22(27-30)24(26)32)13-15-29(25(23)33)17-7-5-16(6-8-17)28-14-3-2-4-21(28)31/h5-12H,2-4,13-15H2,1H3,(H2,26,32) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank MMDB PDB Article PubMed
| 0.0800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
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... |
J Med Chem 50: 5339-56 (2007)
Article DOI: 10.1021/jm070245n BindingDB Entry DOI: 10.7270/Q2Q23XJ9 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Coagulation factor X
(Homo sapiens (Human)) | BDBM19023
(1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-y...)Show SMILES COc1ccc(cc1)-n1nc(C(N)=O)c2CCN(C(=O)c12)c1ccc(cc1)N1CCCCC1=O Show InChI InChI=1S/C25H25N5O4/c1-34-19-11-9-18(10-12-19)30-23-20(22(27-30)24(26)32)13-15-29(25(23)33)17-7-5-16(6-8-17)28-14-3-2-4-21(28)31/h5-12H,2-4,13-15H2,1H3,(H2,26,32) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank MMDB PDB Article PubMed
| 0.0800 | 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)) | BDBM50265827
(6-(4-(1-(dimethylamino)cyclopropyl)phenyl)-1-(4-me...)Show SMILES COc1ccc(cc1)-n1nc(C#N)c2CCN(C(=O)c12)c1ccc(cc1)C1(CC1)N(C)C Show InChI InChI=1S/C25H25N5O2/c1-28(2)25(13-14-25)17-4-6-18(7-5-17)29-15-12-21-22(16-26)27-30(23(21)24(29)31)19-8-10-20(32-3)11-9-19/h4-11H,12-15H2,1-3H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.0800 | 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)) | BDBM19010
(6-(4-{2-[(diethylamino)methyl]phenyl}phenyl)-1-(4-...)Show SMILES CCN(CC)Cc1ccccc1-c1ccc(cc1)N1CCc2c(nn(c2C1=O)-c1ccc(OC)cc1)C(N)=O Show InChI InChI=1S/C31H33N5O3/c1-4-34(5-2)20-22-8-6-7-9-26(22)21-10-12-23(13-11-21)35-19-18-27-28(30(32)37)33-36(29(27)31(35)38)24-14-16-25(39-3)17-15-24/h6-17H,4-5,18-20H2,1-3H3,(H2,32,37) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 0.0800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
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... |
J Med Chem 50: 5339-56 (2007)
Article DOI: 10.1021/jm070245n BindingDB Entry DOI: 10.7270/Q2Q23XJ9 |
More data for this Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50266050
(1-(4-methoxyphenyl)-6-(4-(1-(morpholinomethyl)cycl...)Show SMILES COc1ccc(cc1)-n1nc(C#N)c2CCN(C(=O)c12)c1ccc(cc1)C1(CN2CCOCC2)CC1 Show InChI InChI=1S/C28H29N5O3/c1-35-23-8-6-22(7-9-23)33-26-24(25(18-29)30-33)10-13-32(27(26)34)21-4-2-20(3-5-21)28(11-12-28)19-31-14-16-36-17-15-31/h2-9H,10-17,19H2,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.0900 | 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)) | BDBM50266112
(6-(4-(1-(dimethylamino)cyclopropyl)phenyl)-1-(4-me...)Show SMILES COc1ccc(cc1)-n1nc(c2CCN(C(=O)c12)c1ccc(cc1)C1(CC1)N(C)C)C(F)(F)F Show InChI InChI=1S/C25H25F3N4O2/c1-30(2)24(13-14-24)16-4-6-17(7-5-16)31-15-12-20-21(23(31)33)32(29-22(20)25(26,27)28)18-8-10-19(34-3)11-9-18/h4-11H,12-15H2,1-3H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 0.0900 | 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)) | BDBM50250492
(CHEMBL4097304)Show SMILES CN(C)C1CCN(CC1)c1cccc2[C@H](N(CCc12)C(=O)\C=C\c1c(F)c(Cl)ccc1-n1cnnn1)C(=O)Nc1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C34H34ClFN8O4/c1-41(2)23-14-17-42(18-15-23)28-5-3-4-25-24(28)16-19-43(32(25)33(46)38-22-8-6-21(7-9-22)34(47)48)30(45)13-10-26-29(44-20-37-39-40-44)12-11-27(35)31(26)36/h3-13,20,23,32H,14-19H2,1-2H3,(H,38,46)(H,47,48)/b13-10+/t32-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 0.0980 | 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 11a using pyro-Glu-Pro-Arg-pNA as substrate at 37 degC after 10 to 120 mins by spectrophotometric method |
J Med Chem 60: 9703-9723 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01171 BindingDB Entry DOI: 10.7270/Q2K64MHN |
More data for this Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50046430
(CHEMBL3314442)Show SMILES COc1ccc(cc1)-n1nc(c2CCN(C(=O)c12)c1ccc(cc1)C(C)(C)CN(C)C)S(C)(=O)=O Show InChI InChI=1S/C26H32N4O4S/c1-26(2,17-28(3)4)18-7-9-19(10-8-18)29-16-15-22-23(25(29)31)30(27-24(22)35(6,32)33)20-11-13-21(34-5)14-12-20/h7-14H,15-17H2,1-6H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.110 | 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 purified human factor Xa |
Bioorg Med Chem Lett 24: 3341-5 (2014)
Article DOI: 10.1016/j.bmcl.2014.05.101 BindingDB Entry DOI: 10.7270/Q2Z039R1 |
More data for this Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50266082
(1-(4-methoxyphenyl)-7-oxo-6-(4-(1-((2-oxopyrrolidi...)Show SMILES COc1ccc(cc1)-n1nc(C(N)=O)c2CCN(C(=O)c12)c1ccc(cc1)C1(CN2CCCC2=O)CC1 Show InChI InChI=1S/C28H29N5O4/c1-37-21-10-8-20(9-11-21)33-25-22(24(30-33)26(29)35)12-16-32(27(25)36)19-6-4-18(5-7-19)28(13-14-28)17-31-15-2-3-23(31)34/h4-11H,2-3,12-17H2,1H3,(H2,29,35) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.110 | 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)) | BDBM50266113
(6-(4-(1-((2-hydroxyethyl)(methyl)amino)cyclopropyl...)Show SMILES COc1ccc(cc1)-n1nc(c2CCN(C(=O)c12)c1ccc(cc1)C1(CC1)N(C)CCO)C(F)(F)F Show InChI InChI=1S/C26H27F3N4O3/c1-31(15-16-34)25(12-13-25)17-3-5-18(6-4-17)32-14-11-21-22(24(32)35)33(30-23(21)26(27,28)29)19-7-9-20(36-2)10-8-19/h3-10,34H,11-16H2,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 0.120 | 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)) | BDBM50266114
(2-((1-(4-(1-(4-methoxyphenyl)-7-oxo-3-(trifluorome...)Show SMILES COc1ccc(cc1)-n1nc(c2CCN(C(=O)c12)c1ccc(cc1)C1(CC1)N(C)CC(N)=O)C(F)(F)F Show InChI InChI=1S/C26H26F3N5O3/c1-32(15-21(30)35)25(12-13-25)16-3-5-17(6-4-16)33-14-11-20-22(24(33)36)34(31-23(20)26(27,28)29)18-7-9-19(37-2)10-8-18/h3-10H,11-15H2,1-2H3,(H2,30,35) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 0.140 | 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)) | BDBM19008
(1-(4-methoxyphenyl)-6-(4-{2-[(methylamino)methyl]p...)Show SMILES CNCc1ccccc1-c1ccc(cc1)N1CCc2c(nn(c2C1=O)-c1ccc(OC)cc1)C(N)=O Show InChI InChI=1S/C28H27N5O3/c1-30-17-19-5-3-4-6-23(19)18-7-9-20(10-8-18)32-16-15-24-25(27(29)34)31-33(26(24)28(32)35)21-11-13-22(36-2)14-12-21/h3-14,30H,15-17H2,1-2H3,(H2,29,34) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 0.140 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
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... |
J Med Chem 50: 5339-56 (2007)
Article DOI: 10.1021/jm070245n BindingDB Entry DOI: 10.7270/Q2Q23XJ9 |
More data for this Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50265828
(1-(4-methoxyphenyl)-6-(4-(1-(2-morpholinoethyl)cyc...)Show SMILES COc1ccc(cc1)-n1nc(C(N)=O)c2CCN(C(=O)c12)c1ccc(cc1)C1(CCN2CCOCC2)CC1 Show InChI InChI=1S/C29H33N5O4/c1-37-23-8-6-22(7-9-23)34-26-24(25(31-34)27(30)35)10-14-33(28(26)36)21-4-2-20(3-5-21)29(11-12-29)13-15-32-16-18-38-19-17-32/h2-9H,10-19H2,1H3,(H2,30,35) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 0.140 | 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)) | BDBM50265978
(1-(4-methoxyphenyl)-6-(4-(1-((methylamino)methyl)c...)Show SMILES CNCC1(CC1)c1ccc(cc1)N1CCc2c(nn(c2C1=O)-c1ccc(OC)cc1)C#N Show InChI InChI=1S/C25H25N5O2/c1-27-16-25(12-13-25)17-3-5-18(6-4-17)29-14-11-21-22(15-26)28-30(23(21)24(29)31)19-7-9-20(32-2)10-8-19/h3-10,27H,11-14,16H2,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.150 | 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)) | BDBM50046445
(CHEMBL3314450)Show SMILES COc1ccc(cc1)-n1nc(C(N)=O)c2CCN(C(=O)c12)c1ccc(cc1)C(C)(C)CN Show InChI InChI=1S/C24H27N5O3/c1-24(2,14-25)15-4-6-16(7-5-15)28-13-12-19-20(22(26)30)27-29(21(19)23(28)31)17-8-10-18(32-3)11-9-17/h4-11H,12-14,25H2,1-3H3,(H2,26,30) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.150 | 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 purified human factor Xa |
Bioorg Med Chem Lett 24: 3341-5 (2014)
Article DOI: 10.1016/j.bmcl.2014.05.101 BindingDB Entry DOI: 10.7270/Q2Z039R1 |
More data for this Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50266111
(1-(4-methoxyphenyl)-6-(4-(1-(methylamino)cycloprop...)Show SMILES CNC1(CC1)c1ccc(cc1)N1CCc2c(nn(c2C1=O)-c1ccc(OC)cc1)C(F)(F)F Show InChI InChI=1S/C24H23F3N4O2/c1-28-23(12-13-23)15-3-5-16(6-4-15)30-14-11-19-20(22(30)32)31(29-21(19)24(25,26)27)17-7-9-18(33-2)10-8-17/h3-10,28H,11-14H2,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.160 | 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)) | BDBM50230322
(CHEMBL4071545)Show SMILES COC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](C\C=C\CCC(=O)Nc2c1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1 |r,t:17| Show InChI InChI=1S/C28H26ClN9O4/c1-42-28(41)32-19-9-10-20-22(14-19)34-25(39)6-4-2-3-5-21(27-30-15-23(20)35-27)33-26(40)12-7-17-13-18(29)8-11-24(17)38-16-31-36-37-38/h2-3,7-16,21H,4-6H2,1H3,(H,30,35)(H,32,41)(H,33,40)(H,34,39)/b3-2+,12-7+/t21-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| 0.160 | 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 activated human coagulation factor 11 using pyroGlu-Pro-Arg-pNA as substrate incubated for 10 to 120 mins by spectrofluorometric method |
Bioorg Med Chem Lett 29: (2019)
Article DOI: 10.1016/j.bmcl.2019.08.008 BindingDB Entry DOI: 10.7270/Q23F4T2C |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50266250
(1-(4-methoxyphenyl)-6-(4-(1-(1-methyl-4,5-dihydro-...)Show SMILES COc1ccc(cc1)-n1nc(c2CCN(C(=O)c12)c1ccc(cc1)C1(CC1)C1=NCCN1C)C(F)(F)F |t:32| Show InChI InChI=1S/C27H26F3N5O2/c1-33-16-14-31-25(33)26(12-13-26)17-3-5-18(6-4-17)34-15-11-21-22(24(34)36)35(32-23(21)27(28,29)30)19-7-9-20(37-2)10-8-19/h3-10H,11-16H2,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 0.160 | 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)) | BDBM50265914
(6-(4-(1-acetylcyclopropyl)phenyl)-1-(4-methoxyphen...)Show SMILES COc1ccc(cc1)-n1nc(C(N)=O)c2CCN(C(=O)c12)c1ccc(cc1)C1(CC1)C(C)=O Show InChI InChI=1S/C25H24N4O4/c1-15(30)25(12-13-25)16-3-5-17(6-4-16)28-14-11-20-21(23(26)31)27-29(22(20)24(28)32)18-7-9-19(33-2)10-8-18/h3-10H,11-14H2,1-2H3,(H2,26,31) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 0.180 | 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)) | BDBM50243539
(1-(4-methoxyphenyl)-6-(4-(1-((methylamino)methyl)c...)Show SMILES CNCC1(CC1)c1ccc(cc1)N1CCc2c(nn(c2C1=O)-c1ccc(OC)cc1)C(F)(F)F Show InChI InChI=1S/C25H25F3N4O2/c1-29-15-24(12-13-24)16-3-5-17(6-4-16)31-14-11-20-21(23(31)33)32(30-22(20)25(26,27)28)18-7-9-19(34-2)10-8-18/h3-10,29H,11-15H2,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 0.180 | 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)) | BDBM12743
(6-[4-(2-{[(3R)-3-hydroxypyrrolidin-1-yl]methyl}phe...)Show SMILES COc1ccc(cc1)-n1nc(c2CCN(C(=O)c12)c1ccc(cc1)-c1ccccc1CN1CC[C@@H](O)C1)C(F)(F)F |r| Show InChI InChI=1S/C31H29F3N4O3/c1-41-25-12-10-23(11-13-25)38-28-27(29(35-38)31(32,33)34)15-17-37(30(28)40)22-8-6-20(7-9-22)26-5-3-2-4-21(26)18-36-16-14-24(39)19-36/h2-13,24,39H,14-19H2,1H3/t24-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.180 | -55.1 | 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... |
J Med Chem 50: 5339-56 (2007)
Article DOI: 10.1021/jm070245n BindingDB Entry DOI: 10.7270/Q2Q23XJ9 |
More data for this Ligand-Target Pair | |