Found 65 hits Enz. Inhib. hit(s) with all data for entry = 50046689 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 IX
(Homo sapiens (Human)) | BDBM50125979
(CHEMBL3627899)Show SMILES Cc1ncn(n1)-c1cc(Cl)c(C(=O)NC[C@@H](c2cccc(F)c2)c2nc3c(F)ccc(C)c3c(=O)[nH]2)c(Cl)c1 |r| Show InChI InChI=1S/C27H20Cl2F2N6O2/c1-13-6-7-21(31)24-22(13)27(39)35-25(34-24)18(15-4-3-5-16(30)8-15)11-32-26(38)23-19(28)9-17(10-20(23)29)37-12-33-14(2)36-37/h3-10,12,18H,11H2,1-2H3,(H,32,38)(H,34,35,39)/t18-/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
| 1 | 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 human coagulation factor 9a using fluorescent peptide CH3SO2-D-CHG-Gly-Arg-AFC-AcoH as substrate |
Bioorg Med Chem Lett 25: 4945-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.057 BindingDB Entry DOI: 10.7270/Q20Z753B |
More data for this Ligand-Target Pair | |
Coagulation factor IX
(Homo sapiens (Human)) | BDBM50125972
(CHEMBL3627894)Show SMILES COc1cc2nc([nH]c2cc1Cl)[C@@H](CNC(=O)c1c(Cl)cc(cc1Cl)-n1cnc(C)n1)c1cccc(F)c1 |r| Show InChI InChI=1S/C26H20Cl3FN6O2/c1-13-32-12-36(35-13)16-7-19(28)24(20(29)8-16)26(37)31-11-17(14-4-3-5-15(30)6-14)25-33-21-9-18(27)23(38-2)10-22(21)34-25/h3-10,12,17H,11H2,1-2H3,(H,31,37)(H,33,34)/t17-/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
| 2.90 | 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 human coagulation factor 9a using fluorescent peptide CH3SO2-D-CHG-Gly-Arg-AFC-AcoH as substrate |
Bioorg Med Chem Lett 25: 4945-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.057 BindingDB Entry DOI: 10.7270/Q20Z753B |
More data for this Ligand-Target Pair | |
Coagulation factor IX
(Homo sapiens (Human)) | BDBM50125980
(CHEMBL3627900)Show SMILES Cc1ncn(n1)-c1cc(Cl)c(C(=O)NC[C@@H](c2cccc(F)c2)c2cc(=O)c3c(C)ccc(F)c3[nH]2)c(Cl)c1 |r| Show InChI InChI=1S/C28H21Cl2F2N5O2/c1-14-6-7-22(32)27-25(14)24(38)11-23(35-27)19(16-4-3-5-17(31)8-16)12-33-28(39)26-20(29)9-18(10-21(26)30)37-13-34-15(2)36-37/h3-11,13,19H,12H2,1-2H3,(H,33,39)(H,35,38)/t19-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 3.30 | 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 human coagulation factor 9a using fluorescent peptide CH3SO2-D-CHG-Gly-Arg-AFC-AcoH as substrate |
Bioorg Med Chem Lett 25: 4945-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.057 BindingDB Entry DOI: 10.7270/Q20Z753B |
More data for this Ligand-Target Pair | |
Coagulation factor IX
(Homo sapiens (Human)) | BDBM50125978
(CHEMBL3627898 | US10189819, Example 77)Show SMILES Cc1ncn(n1)-c1cc(Cl)c(C(=O)NC[C@@H](c2cccc(F)c2)c2cnc3[nH]c(C)cc3c2)c(Cl)c1 |r| Show InChI InChI=1S/C26H21Cl2FN6O/c1-14-6-17-7-18(11-30-25(17)33-14)21(16-4-3-5-19(29)8-16)12-31-26(36)24-22(27)9-20(10-23(24)28)35-13-32-15(2)34-35/h3-11,13,21H,12H2,1-2H3,(H,30,33)(H,31,36)/t21-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 3.70 | 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 human coagulation factor 9a using fluorescent peptide CH3SO2-D-CHG-Gly-Arg-AFC-AcoH as substrate |
Bioorg Med Chem Lett 25: 4945-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.057 BindingDB Entry DOI: 10.7270/Q20Z753B |
More data for this Ligand-Target Pair | |
Coagulation factor IX
(Homo sapiens (Human)) | BDBM50125960
(CHEMBL3627871)Show SMILES Cc1cc2nc([nH]c2cc1C)[C@@H](CNC(=O)c1ccc(cc1Cl)-n1cnnc1)c1cccc(F)c1 |r| Show InChI InChI=1S/C26H22ClFN6O/c1-15-8-23-24(9-16(15)2)33-25(32-23)21(17-4-3-5-18(28)10-17)12-29-26(35)20-7-6-19(11-22(20)27)34-13-30-31-14-34/h3-11,13-14,21H,12H2,1-2H3,(H,29,35)(H,32,33)/t21-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 5.70 | 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 human coagulation factor 9a using fluorescent peptide CH3SO2-D-CHG-Gly-Arg-AFC-AcoH as substrate |
Bioorg Med Chem Lett 25: 4945-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.057 BindingDB Entry DOI: 10.7270/Q20Z753B |
More data for this Ligand-Target Pair | |
Coagulation factor IX
(Homo sapiens (Human)) | BDBM50125976
(CHEMBL3627896)Show SMILES Cc1ncn(n1)-c1cc(Cl)c(C(=O)NC[C@H](c2nc3c(C)cc(Cl)cc3[nH]2)c2cccc(F)c2)c(Cl)c1 |r| Show InChI InChI=1S/C26H20Cl3FN6O/c1-13-6-16(27)8-22-24(13)34-25(33-22)19(15-4-3-5-17(30)7-15)11-31-26(37)23-20(28)9-18(10-21(23)29)36-12-32-14(2)35-36/h3-10,12,19H,11H2,1-2H3,(H,31,37)(H,33,34)/t19-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 6.20 | 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 human coagulation factor 9a using fluorescent peptide CH3SO2-D-CHG-Gly-Arg-AFC-AcoH as substrate |
Bioorg Med Chem Lett 25: 4945-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.057 BindingDB Entry DOI: 10.7270/Q20Z753B |
More data for this Ligand-Target Pair | |
Coagulation factor IX
(Homo sapiens (Human)) | BDBM50125965
(CHEMBL3627866)Show SMILES Cc1cc2nc([nH]c2cc1C)[C@@H](CNC(=O)c1c(C)cc(cc1Cl)-n1cnnc1)c1ccccc1 |r| Show InChI InChI=1S/C27H25ClN6O/c1-16-10-23-24(11-17(16)2)33-26(32-23)21(19-7-5-4-6-8-19)13-29-27(35)25-18(3)9-20(12-22(25)28)34-14-30-31-15-34/h4-12,14-15,21H,13H2,1-3H3,(H,29,35)(H,32,33)/t21-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 8 | 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 human coagulation factor 9a using fluorescent peptide CH3SO2-D-CHG-Gly-Arg-AFC-AcoH as substrate |
Bioorg Med Chem Lett 25: 4945-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.057 BindingDB Entry DOI: 10.7270/Q20Z753B |
More data for this Ligand-Target Pair | |
Coagulation factor IX
(Homo sapiens (Human)) | BDBM50125973
(CHEMBL3627872)Show SMILES Cc1cc2nc([nH]c2cc1C)[C@@H](CNC(=O)c1ccc(cc1Cl)-n1cnnc1)c1ccc(F)cc1 |r| Show InChI InChI=1S/C26H22ClFN6O/c1-15-9-23-24(10-16(15)2)33-25(32-23)21(17-3-5-18(28)6-4-17)12-29-26(35)20-8-7-19(11-22(20)27)34-13-30-31-14-34/h3-11,13-14,21H,12H2,1-2H3,(H,29,35)(H,32,33)/t21-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 8.40 | 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 human coagulation factor 9a using fluorescent peptide CH3SO2-D-CHG-Gly-Arg-AFC-AcoH as substrate |
Bioorg Med Chem Lett 25: 4945-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.057 BindingDB Entry DOI: 10.7270/Q20Z753B |
More data for this Ligand-Target Pair | |
Coagulation factor IX
(Homo sapiens (Human)) | BDBM50125977
(CHEMBL3627897)Show SMILES Cc1ncn(n1)-c1cc(Cl)c(C(=O)NC[C@@H](c2cccc(F)c2)c2ccc3[nH]c(C)nc3c2)c(Cl)c1 |r| Show InChI InChI=1S/C26H21Cl2FN6O/c1-14-31-13-35(34-14)19-10-21(27)25(22(28)11-19)26(36)30-12-20(16-4-3-5-18(29)8-16)17-6-7-23-24(9-17)33-15(2)32-23/h3-11,13,20H,12H2,1-2H3,(H,30,36)(H,32,33)/t20-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 9.10 | 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 human coagulation factor 9a using fluorescent peptide CH3SO2-D-CHG-Gly-Arg-AFC-AcoH as substrate |
Bioorg Med Chem Lett 25: 4945-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.057 BindingDB Entry DOI: 10.7270/Q20Z753B |
More data for this Ligand-Target Pair | |
Coagulation factor IX
(Homo sapiens (Human)) | BDBM50125974
(CHEMBL3627895 | US10189819, Example 46)Show SMILES Cc1ncn(n1)-c1cc(Cl)c(C(=O)NC[C@H](c2nc3ccc(Cl)cc3[nH]2)c2cccc(F)c2)c(Cl)c1 |r| Show InChI InChI=1S/C25H18Cl3FN6O/c1-13-31-12-35(34-13)17-9-19(27)23(20(28)10-17)25(36)30-11-18(14-3-2-4-16(29)7-14)24-32-21-6-5-15(26)8-22(21)33-24/h2-10,12,18H,11H2,1H3,(H,30,36)(H,32,33)/t18-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 9.80 | 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 human coagulation factor 9a using fluorescent peptide CH3SO2-D-CHG-Gly-Arg-AFC-AcoH as substrate |
Bioorg Med Chem Lett 25: 4945-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.057 BindingDB Entry DOI: 10.7270/Q20Z753B |
More data for this Ligand-Target Pair | |
Coagulation factor IX
(Homo sapiens (Human)) | BDBM50125981
(CHEMBL3627901 | US10189819, Example 113)Show SMILES Cc1ncn(n1)-c1cc(Cl)c(C(=O)NC[C@@H](c2cccc(F)c2)c2ccc3c(C)ccc(F)c3n2)c(Cl)c1 |r| Show InChI InChI=1S/C28H21Cl2F2N5O/c1-15-6-8-24(32)27-20(15)7-9-25(35-27)21(17-4-3-5-18(31)10-17)13-33-28(38)26-22(29)11-19(12-23(26)30)37-14-34-16(2)36-37/h3-12,14,21H,13H2,1-2H3,(H,33,38)/t21-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 10 | 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 human coagulation factor 9a using fluorescent peptide CH3SO2-D-CHG-Gly-Arg-AFC-AcoH as substrate |
Bioorg Med Chem Lett 25: 4945-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.057 BindingDB Entry DOI: 10.7270/Q20Z753B |
More data for this Ligand-Target Pair | |
Coagulation factor IX
(Homo sapiens (Human)) | BDBM50125971
(CHEMBL3627893)Show SMILES Cc1ncn(n1)-c1cc(Cl)c(C(=O)NC[C@H](c2nc3cc(C)c(Cl)cc3[nH]2)c2cccc(F)c2)c(Cl)c1 |r| Show InChI InChI=1S/C26H20Cl3FN6O/c1-13-6-22-23(10-19(13)27)34-25(33-22)18(15-4-3-5-16(30)7-15)11-31-26(37)24-20(28)8-17(9-21(24)29)36-12-32-14(2)35-36/h3-10,12,18H,11H2,1-2H3,(H,31,37)(H,33,34)/t18-/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
| 14 | 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 human coagulation factor 9a using fluorescent peptide CH3SO2-D-CHG-Gly-Arg-AFC-AcoH as substrate |
Bioorg Med Chem Lett 25: 4945-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.057 BindingDB Entry DOI: 10.7270/Q20Z753B |
More data for this Ligand-Target Pair | |
Coagulation factor IX
(Homo sapiens (Human)) | BDBM50125970
(CHEMBL3627865)Show SMILES Cc1cc2nc([nH]c2cc1C)[C@@H](CNC(=O)c1c(F)cc(cc1Cl)-n1cnnc1)c1ccccc1 |r| Show InChI InChI=1S/C26H22ClFN6O/c1-15-8-22-23(9-16(15)2)33-25(32-22)19(17-6-4-3-5-7-17)12-29-26(35)24-20(27)10-18(11-21(24)28)34-13-30-31-14-34/h3-11,13-14,19H,12H2,1-2H3,(H,29,35)(H,32,33)/t19-/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
| 15 | 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 human coagulation factor 9a using fluorescent peptide CH3SO2-D-CHG-Gly-Arg-AFC-AcoH as substrate |
Bioorg Med Chem Lett 25: 4945-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.057 BindingDB Entry DOI: 10.7270/Q20Z753B |
More data for this Ligand-Target Pair | |
Coagulation factor IX
(Homo sapiens (Human)) | BDBM50125963
(CHEMBL3627868)Show SMILES COc1cc(cc(Cl)c1C(=O)NC[C@H](c1nc2cc(C)c(C)cc2[nH]1)c1ccccc1)-n1cnnc1 |r| Show InChI InChI=1S/C27H25ClN6O2/c1-16-9-22-23(10-17(16)2)33-26(32-22)20(18-7-5-4-6-8-18)13-29-27(35)25-21(28)11-19(12-24(25)36-3)34-14-30-31-15-34/h4-12,14-15,20H,13H2,1-3H3,(H,29,35)(H,32,33)/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
| 15 | 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 human coagulation factor 9a using fluorescent peptide CH3SO2-D-CHG-Gly-Arg-AFC-AcoH as substrate |
Bioorg Med Chem Lett 25: 4945-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.057 BindingDB Entry DOI: 10.7270/Q20Z753B |
More data for this Ligand-Target Pair | |
Coagulation factor IX
(Homo sapiens (Human)) | BDBM50125975
(CHEMBL3627873)Show SMILES Cc1cc2nc([nH]c2cc1C)[C@@H](CNC(=O)c1c(Cl)cc(cc1Cl)-n1cnnc1)c1ccccc1 |r| Show InChI InChI=1S/C26H22Cl2N6O/c1-15-8-22-23(9-16(15)2)33-25(32-22)19(17-6-4-3-5-7-17)12-29-26(35)24-20(27)10-18(11-21(24)28)34-13-30-31-14-34/h3-11,13-14,19H,12H2,1-2H3,(H,29,35)(H,32,33)/t19-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| 15 | 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 human coagulation factor 9a using fluorescent peptide CH3SO2-D-CHG-Gly-Arg-AFC-AcoH as substrate |
Bioorg Med Chem Lett 25: 4945-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.057 BindingDB Entry DOI: 10.7270/Q20Z753B |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Coagulation factor IX
(Homo sapiens (Human)) | BDBM50125975
(CHEMBL3627873)Show SMILES Cc1cc2nc([nH]c2cc1C)[C@@H](CNC(=O)c1c(Cl)cc(cc1Cl)-n1cnnc1)c1ccccc1 |r| Show InChI InChI=1S/C26H22Cl2N6O/c1-15-8-22-23(9-16(15)2)33-25(32-22)19(17-6-4-3-5-7-17)12-29-26(35)24-20(27)10-18(11-21(24)28)34-13-30-31-14-34/h3-11,13-14,19H,12H2,1-2H3,(H,29,35)(H,32,33)/t19-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| 15.4 | 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 human coagulation factor 9a using fluorescent peptide CH3SO2-D-CHG-Gly-Arg-AFC-AcoH as substrate |
Bioorg Med Chem Lett 25: 4945-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.057 BindingDB Entry DOI: 10.7270/Q20Z753B |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Coagulation factor IX
(Homo sapiens (Human)) | BDBM50083254
(CHEMBL3423058)Show SMILES Cc1cc2nc([nH]c2cc1C)[C@@H](CNC(=O)c1ccc(cc1Cl)-n1cnnc1)c1ccccc1 |r| Show InChI InChI=1S/C26H23ClN6O/c1-16-10-23-24(11-17(16)2)32-25(31-23)21(18-6-4-3-5-7-18)13-28-26(34)20-9-8-19(12-22(20)27)33-14-29-30-15-33/h3-12,14-15,21H,13H2,1-2H3,(H,28,34)(H,31,32)/t21-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 16 | 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 human coagulation factor 9a using fluorescent peptide CH3SO2-D-CHG-Gly-Arg-AFC-AcoH as substrate |
Bioorg Med Chem Lett 25: 4945-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.057 BindingDB Entry DOI: 10.7270/Q20Z753B |
More data for this Ligand-Target Pair | |
Coagulation factor IX
(Homo sapiens (Human)) | BDBM50125961
(CHEMBL3627870)Show SMILES Cc1cc2nc([nH]c2cc1C)[C@@H](CNC(=O)c1ccc(cc1Cl)-n1cnnc1)c1ccccc1F |r| Show InChI InChI=1S/C26H22ClFN6O/c1-15-9-23-24(10-16(15)2)33-25(32-23)20(18-5-3-4-6-22(18)28)12-29-26(35)19-8-7-17(11-21(19)27)34-13-30-31-14-34/h3-11,13-14,20H,12H2,1-2H3,(H,29,35)(H,32,33)/t20-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 19 | 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 human coagulation factor 9a using fluorescent peptide CH3SO2-D-CHG-Gly-Arg-AFC-AcoH as substrate |
Bioorg Med Chem Lett 25: 4945-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.057 BindingDB Entry DOI: 10.7270/Q20Z753B |
More data for this Ligand-Target Pair | |
Coagulation factor IX
(Homo sapiens (Human)) | BDBM50125962
(CHEMBL3627869)Show SMILES Cc1ncn(n1)-c1cc(Cl)c(C(=O)NC[C@H](c2nc3cc(C)c(C)cc3[nH]2)c2ccccc2)c(Cl)c1 |r| Show InChI InChI=1S/C27H24Cl2N6O/c1-15-9-23-24(10-16(15)2)33-26(32-23)20(18-7-5-4-6-8-18)13-30-27(36)25-21(28)11-19(12-22(25)29)35-14-31-17(3)34-35/h4-12,14,20H,13H2,1-3H3,(H,30,36)(H,32,33)/t20-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 21 | 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 human coagulation factor 9a using fluorescent peptide CH3SO2-D-CHG-Gly-Arg-AFC-AcoH as substrate |
Bioorg Med Chem Lett 25: 4945-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.057 BindingDB Entry DOI: 10.7270/Q20Z753B |
More data for this Ligand-Target Pair | |
Coagulation factor IX
(Homo sapiens (Human)) | BDBM50125964
(CHEMBL3627867)Show SMILES Cc1cc2nc([nH]c2cc1C)[C@@H](CNC(=O)c1c(Cl)cc(cc1C(F)(F)F)-n1cnnc1)c1ccccc1 |r| Show InChI InChI=1S/C27H22ClF3N6O/c1-15-8-22-23(9-16(15)2)36-25(35-22)19(17-6-4-3-5-7-17)12-32-26(38)24-20(27(29,30)31)10-18(11-21(24)28)37-13-33-34-14-37/h3-11,13-14,19H,12H2,1-2H3,(H,32,38)(H,35,36)/t19-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
| Article PubMed
| 22 | 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 human coagulation factor 9a using fluorescent peptide CH3SO2-D-CHG-Gly-Arg-AFC-AcoH as substrate |
Bioorg Med Chem Lett 25: 4945-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.057 BindingDB Entry DOI: 10.7270/Q20Z753B |
More data for this Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50125975
(CHEMBL3627873)Show SMILES Cc1cc2nc([nH]c2cc1C)[C@@H](CNC(=O)c1c(Cl)cc(cc1Cl)-n1cnnc1)c1ccccc1 |r| Show InChI InChI=1S/C26H22Cl2N6O/c1-15-8-22-23(9-16(15)2)33-25(32-22)19(17-6-4-3-5-7-17)12-29-26(35)24-20(27)10-18(11-21(24)28)34-13-30-31-14-34/h3-11,13-14,19H,12H2,1-2H3,(H,29,35)(H,32,33)/t19-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 105 | 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 human coagulation factor 10a using fluorescent peptide nAcetyl-KPR-AFC as substrate |
Bioorg Med Chem Lett 25: 4945-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.057 BindingDB Entry DOI: 10.7270/Q20Z753B |
More data for this Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50125975
(CHEMBL3627873)Show SMILES Cc1cc2nc([nH]c2cc1C)[C@@H](CNC(=O)c1c(Cl)cc(cc1Cl)-n1cnnc1)c1ccccc1 |r| Show InChI InChI=1S/C26H22Cl2N6O/c1-15-8-22-23(9-16(15)2)33-25(32-22)19(17-6-4-3-5-7-17)12-29-26(35)24-20(27)10-18(11-21(24)28)34-13-30-31-14-34/h3-11,13-14,19H,12H2,1-2H3,(H,29,35)(H,32,33)/t19-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 105 | 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 human coagulation factor 10a using fluorescent peptide nAcetyl-KPR-AFC as substrate |
Bioorg Med Chem Lett 25: 4945-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.057 BindingDB Entry DOI: 10.7270/Q20Z753B |
More data for this Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50125965
(CHEMBL3627866)Show SMILES Cc1cc2nc([nH]c2cc1C)[C@@H](CNC(=O)c1c(C)cc(cc1Cl)-n1cnnc1)c1ccccc1 |r| Show InChI InChI=1S/C27H25ClN6O/c1-16-10-23-24(11-17(16)2)33-26(32-23)21(19-7-5-4-6-8-19)13-29-27(35)25-18(3)9-20(12-22(25)28)34-14-30-31-15-34/h4-12,14-15,21H,13H2,1-3H3,(H,29,35)(H,32,33)/t21-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 195 | 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 human coagulation factor 10a using fluorescent peptide nAcetyl-KPR-AFC as substrate |
Bioorg Med Chem Lett 25: 4945-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.057 BindingDB Entry DOI: 10.7270/Q20Z753B |
More data for this Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50125963
(CHEMBL3627868)Show SMILES COc1cc(cc(Cl)c1C(=O)NC[C@H](c1nc2cc(C)c(C)cc2[nH]1)c1ccccc1)-n1cnnc1 |r| Show InChI InChI=1S/C27H25ClN6O2/c1-16-9-22-23(10-17(16)2)33-26(32-22)20(18-7-5-4-6-8-18)13-29-27(35)25-21(28)11-19(12-24(25)36-3)34-14-30-31-15-34/h4-12,14-15,20H,13H2,1-3H3,(H,29,35)(H,32,33)/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
| 245 | 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 human coagulation factor 10a using fluorescent peptide nAcetyl-KPR-AFC as substrate |
Bioorg Med Chem Lett 25: 4945-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.057 BindingDB Entry DOI: 10.7270/Q20Z753B |
More data for this Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50125964
(CHEMBL3627867)Show SMILES Cc1cc2nc([nH]c2cc1C)[C@@H](CNC(=O)c1c(Cl)cc(cc1C(F)(F)F)-n1cnnc1)c1ccccc1 |r| Show InChI InChI=1S/C27H22ClF3N6O/c1-15-8-22-23(9-16(15)2)36-25(35-22)19(17-6-4-3-5-7-17)12-32-26(38)24-20(27(29,30)31)10-18(11-21(24)28)37-13-33-34-14-37/h3-11,13-14,19H,12H2,1-2H3,(H,32,38)(H,35,36)/t19-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
| Article PubMed
| 340 | 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 human coagulation factor 10a using fluorescent peptide nAcetyl-KPR-AFC as substrate |
Bioorg Med Chem Lett 25: 4945-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.057 BindingDB Entry DOI: 10.7270/Q20Z753B |
More data for this Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50083254
(CHEMBL3423058)Show SMILES Cc1cc2nc([nH]c2cc1C)[C@@H](CNC(=O)c1ccc(cc1Cl)-n1cnnc1)c1ccccc1 |r| Show InChI InChI=1S/C26H23ClN6O/c1-16-10-23-24(11-17(16)2)32-25(31-23)21(18-6-4-3-5-7-18)13-28-26(34)20-9-8-19(12-22(20)27)33-14-29-30-15-33/h3-12,14-15,21H,13H2,1-2H3,(H,28,34)(H,31,32)/t21-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 394 | 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 human coagulation factor 10a using fluorescent peptide nAcetyl-KPR-AFC as substrate |
Bioorg Med Chem Lett 25: 4945-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.057 BindingDB Entry DOI: 10.7270/Q20Z753B |
More data for this Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50125961
(CHEMBL3627870)Show SMILES Cc1cc2nc([nH]c2cc1C)[C@@H](CNC(=O)c1ccc(cc1Cl)-n1cnnc1)c1ccccc1F |r| Show InChI InChI=1S/C26H22ClFN6O/c1-15-9-23-24(10-16(15)2)33-25(32-23)20(18-5-3-4-6-22(18)28)12-29-26(35)19-8-7-17(11-21(19)27)34-13-30-31-14-34/h3-11,13-14,20H,12H2,1-2H3,(H,29,35)(H,32,33)/t20-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 412 | 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 human coagulation factor 10a using fluorescent peptide nAcetyl-KPR-AFC as substrate |
Bioorg Med Chem Lett 25: 4945-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.057 BindingDB Entry DOI: 10.7270/Q20Z753B |
More data for this Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50125970
(CHEMBL3627865)Show SMILES Cc1cc2nc([nH]c2cc1C)[C@@H](CNC(=O)c1c(F)cc(cc1Cl)-n1cnnc1)c1ccccc1 |r| Show InChI InChI=1S/C26H22ClFN6O/c1-15-8-22-23(9-16(15)2)33-25(32-22)19(17-6-4-3-5-7-17)12-29-26(35)24-20(27)10-18(11-21(24)28)34-13-30-31-14-34/h3-11,13-14,19H,12H2,1-2H3,(H,29,35)(H,32,33)/t19-/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
| 544 | 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 human coagulation factor 10a using fluorescent peptide nAcetyl-KPR-AFC as substrate |
Bioorg Med Chem Lett 25: 4945-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.057 BindingDB Entry DOI: 10.7270/Q20Z753B |
More data for this Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50125960
(CHEMBL3627871)Show SMILES Cc1cc2nc([nH]c2cc1C)[C@@H](CNC(=O)c1ccc(cc1Cl)-n1cnnc1)c1cccc(F)c1 |r| Show InChI InChI=1S/C26H22ClFN6O/c1-15-8-23-24(9-16(15)2)33-25(32-23)21(17-4-3-5-18(28)10-17)12-29-26(35)20-7-6-19(11-22(20)27)34-13-30-31-14-34/h3-11,13-14,21H,12H2,1-2H3,(H,29,35)(H,32,33)/t21-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.01E+3 | 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 human coagulation factor 10a using fluorescent peptide nAcetyl-KPR-AFC as substrate |
Bioorg Med Chem Lett 25: 4945-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.057 BindingDB Entry DOI: 10.7270/Q20Z753B |
More data for this Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50125973
(CHEMBL3627872)Show SMILES Cc1cc2nc([nH]c2cc1C)[C@@H](CNC(=O)c1ccc(cc1Cl)-n1cnnc1)c1ccc(F)cc1 |r| Show InChI InChI=1S/C26H22ClFN6O/c1-15-9-23-24(10-16(15)2)33-25(32-23)21(17-3-5-18(28)6-4-17)12-29-26(35)20-8-7-19(11-22(20)27)34-13-30-31-14-34/h3-11,13-14,21H,12H2,1-2H3,(H,29,35)(H,32,33)/t21-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.51E+3 | 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 human coagulation factor 10a using fluorescent peptide nAcetyl-KPR-AFC as substrate |
Bioorg Med Chem Lett 25: 4945-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.057 BindingDB Entry DOI: 10.7270/Q20Z753B |
More data for this Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50125972
(CHEMBL3627894)Show SMILES COc1cc2nc([nH]c2cc1Cl)[C@@H](CNC(=O)c1c(Cl)cc(cc1Cl)-n1cnc(C)n1)c1cccc(F)c1 |r| Show InChI InChI=1S/C26H20Cl3FN6O2/c1-13-32-12-36(35-13)16-7-19(28)24(20(29)8-16)26(37)31-11-17(14-4-3-5-15(30)6-14)25-33-21-9-18(27)23(38-2)10-22(21)34-25/h3-10,12,17H,11H2,1-2H3,(H,31,37)(H,33,34)/t17-/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
| 1.93E+3 | 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 human coagulation factor 10a using fluorescent peptide nAcetyl-KPR-AFC as substrate |
Bioorg Med Chem Lett 25: 4945-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.057 BindingDB Entry DOI: 10.7270/Q20Z753B |
More data for this Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50125962
(CHEMBL3627869)Show SMILES Cc1ncn(n1)-c1cc(Cl)c(C(=O)NC[C@H](c2nc3cc(C)c(C)cc3[nH]2)c2ccccc2)c(Cl)c1 |r| Show InChI InChI=1S/C27H24Cl2N6O/c1-15-9-23-24(10-16(15)2)33-26(32-23)20(18-7-5-4-6-8-18)13-30-27(36)25-21(28)11-19(12-22(25)29)35-14-31-17(3)34-35/h4-12,14,20H,13H2,1-3H3,(H,30,36)(H,32,33)/t20-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2.47E+3 | 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 human coagulation factor 10a using fluorescent peptide nAcetyl-KPR-AFC as substrate |
Bioorg Med Chem Lett 25: 4945-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.057 BindingDB Entry DOI: 10.7270/Q20Z753B |
More data for this Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50125977
(CHEMBL3627897)Show SMILES Cc1ncn(n1)-c1cc(Cl)c(C(=O)NC[C@@H](c2cccc(F)c2)c2ccc3[nH]c(C)nc3c2)c(Cl)c1 |r| Show InChI InChI=1S/C26H21Cl2FN6O/c1-14-31-13-35(34-14)19-10-21(27)25(22(28)11-19)26(36)30-12-20(16-4-3-5-18(29)8-16)17-6-7-23-24(9-17)33-15(2)32-23/h3-11,13,20H,12H2,1-2H3,(H,30,36)(H,32,33)/t20-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 2.80E+3 | 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 human coagulation factor 10a using fluorescent peptide nAcetyl-KPR-AFC as substrate |
Bioorg Med Chem Lett 25: 4945-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.057 BindingDB Entry DOI: 10.7270/Q20Z753B |
More data for this Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50125971
(CHEMBL3627893)Show SMILES Cc1ncn(n1)-c1cc(Cl)c(C(=O)NC[C@H](c2nc3cc(C)c(Cl)cc3[nH]2)c2cccc(F)c2)c(Cl)c1 |r| Show InChI InChI=1S/C26H20Cl3FN6O/c1-13-6-22-23(10-19(13)27)34-25(33-22)18(15-4-3-5-16(30)7-15)11-31-26(37)24-20(28)8-17(9-21(24)29)36-12-32-14(2)35-36/h3-10,12,18H,11H2,1-2H3,(H,31,37)(H,33,34)/t18-/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
| 1.52E+4 | 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 human coagulation factor 10a using fluorescent peptide nAcetyl-KPR-AFC as substrate |
Bioorg Med Chem Lett 25: 4945-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.057 BindingDB Entry DOI: 10.7270/Q20Z753B |
More data for this Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50125974
(CHEMBL3627895 | US10189819, Example 46)Show SMILES Cc1ncn(n1)-c1cc(Cl)c(C(=O)NC[C@H](c2nc3ccc(Cl)cc3[nH]2)c2cccc(F)c2)c(Cl)c1 |r| Show InChI InChI=1S/C25H18Cl3FN6O/c1-13-31-12-35(34-13)17-9-19(27)23(20(28)10-17)25(36)30-11-18(14-3-2-4-16(29)7-14)24-32-21-6-5-15(26)8-22(21)33-24/h2-10,12,18H,11H2,1H3,(H,30,36)(H,32,33)/t18-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2.07E+4 | 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 human coagulation factor 10a using fluorescent peptide nAcetyl-KPR-AFC as substrate |
Bioorg Med Chem Lett 25: 4945-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.057 BindingDB Entry DOI: 10.7270/Q20Z753B |
More data for this Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50125981
(CHEMBL3627901 | US10189819, Example 113)Show SMILES Cc1ncn(n1)-c1cc(Cl)c(C(=O)NC[C@@H](c2cccc(F)c2)c2ccc3c(C)ccc(F)c3n2)c(Cl)c1 |r| Show InChI InChI=1S/C28H21Cl2F2N5O/c1-15-6-8-24(32)27-20(15)7-9-25(35-27)21(17-4-3-5-18(31)10-17)13-33-28(38)26-22(29)11-19(12-23(26)30)37-14-34-16(2)36-37/h3-12,14,21H,13H2,1-2H3,(H,33,38)/t21-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| >2.89E+4 | 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 human coagulation factor 10a using fluorescent peptide nAcetyl-KPR-AFC as substrate |
Bioorg Med Chem Lett 25: 4945-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.057 BindingDB Entry DOI: 10.7270/Q20Z753B |
More data for this Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50125976
(CHEMBL3627896)Show SMILES Cc1ncn(n1)-c1cc(Cl)c(C(=O)NC[C@H](c2nc3c(C)cc(Cl)cc3[nH]2)c2cccc(F)c2)c(Cl)c1 |r| Show InChI InChI=1S/C26H20Cl3FN6O/c1-13-6-16(27)8-22-24(13)34-25(33-22)19(15-4-3-5-17(30)7-15)11-31-26(37)23-20(28)9-18(10-21(23)29)36-12-32-14(2)35-36/h3-10,12,19H,11H2,1-2H3,(H,31,37)(H,33,34)/t19-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| >2.89E+4 | 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 human coagulation factor 10a using fluorescent peptide nAcetyl-KPR-AFC as substrate |
Bioorg Med Chem Lett 25: 4945-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.057 BindingDB Entry DOI: 10.7270/Q20Z753B |
More data for this Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50125978
(CHEMBL3627898 | US10189819, Example 77)Show SMILES Cc1ncn(n1)-c1cc(Cl)c(C(=O)NC[C@@H](c2cccc(F)c2)c2cnc3[nH]c(C)cc3c2)c(Cl)c1 |r| Show InChI InChI=1S/C26H21Cl2FN6O/c1-14-6-17-7-18(11-30-25(17)33-14)21(16-4-3-5-19(29)8-16)12-31-26(36)24-22(27)9-20(10-23(24)28)35-13-32-15(2)34-35/h3-11,13,21H,12H2,1-2H3,(H,30,33)(H,31,36)/t21-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| >2.89E+4 | 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 human coagulation factor 10a using fluorescent peptide nAcetyl-KPR-AFC as substrate |
Bioorg Med Chem Lett 25: 4945-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.057 BindingDB Entry DOI: 10.7270/Q20Z753B |
More data for this Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50125979
(CHEMBL3627899)Show SMILES Cc1ncn(n1)-c1cc(Cl)c(C(=O)NC[C@@H](c2cccc(F)c2)c2nc3c(F)ccc(C)c3c(=O)[nH]2)c(Cl)c1 |r| Show InChI InChI=1S/C27H20Cl2F2N6O2/c1-13-6-7-21(31)24-22(13)27(39)35-25(34-24)18(15-4-3-5-16(30)8-15)11-32-26(38)23-19(28)9-17(10-20(23)29)37-12-33-14(2)36-37/h3-10,12,18H,11H2,1-2H3,(H,32,38)(H,34,35,39)/t18-/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
| >2.89E+4 | 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 human coagulation factor 10a using fluorescent peptide nAcetyl-KPR-AFC as substrate |
Bioorg Med Chem Lett 25: 4945-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.057 BindingDB Entry DOI: 10.7270/Q20Z753B |
More data for this Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50125980
(CHEMBL3627900)Show SMILES Cc1ncn(n1)-c1cc(Cl)c(C(=O)NC[C@@H](c2cccc(F)c2)c2cc(=O)c3c(C)ccc(F)c3[nH]2)c(Cl)c1 |r| Show InChI InChI=1S/C28H21Cl2F2N5O2/c1-14-6-7-22(32)27-25(14)24(38)11-23(35-27)19(16-4-3-5-17(31)8-16)12-33-28(39)26-20(29)9-18(10-21(26)30)37-13-34-15(2)36-37/h3-11,13,19H,12H2,1-2H3,(H,33,39)(H,35,38)/t19-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| >2.89E+4 | 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 human coagulation factor 10a using fluorescent peptide nAcetyl-KPR-AFC as substrate |
Bioorg Med Chem Lett 25: 4945-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.057 BindingDB Entry DOI: 10.7270/Q20Z753B |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C8
(Homo sapiens (Human)) | BDBM50125972
(CHEMBL3627894)Show SMILES COc1cc2nc([nH]c2cc1Cl)[C@@H](CNC(=O)c1c(Cl)cc(cc1Cl)-n1cnc(C)n1)c1cccc(F)c1 |r| Show InChI InChI=1S/C26H20Cl3FN6O2/c1-13-32-12-36(35-13)16-7-19(28)24(20(29)8-16)26(37)31-11-17(14-4-3-5-15(30)6-14)25-33-21-9-18(27)23(38-2)10-22(21)34-25/h3-10,12,17H,11H2,1-2H3,(H,31,37)(H,33,34)/t17-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 456 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of CYP2C8 (unknown origin) |
Bioorg Med Chem Lett 25: 4945-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.057 BindingDB Entry DOI: 10.7270/Q20Z753B |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C8
(Homo sapiens (Human)) | BDBM50125977
(CHEMBL3627897)Show SMILES Cc1ncn(n1)-c1cc(Cl)c(C(=O)NC[C@@H](c2cccc(F)c2)c2ccc3[nH]c(C)nc3c2)c(Cl)c1 |r| Show InChI InChI=1S/C26H21Cl2FN6O/c1-14-31-13-35(34-14)19-10-21(27)25(22(28)11-19)26(36)30-12-20(16-4-3-5-18(29)8-16)17-6-7-23-24(9-17)33-15(2)32-23/h3-11,13,20H,12H2,1-2H3,(H,30,36)(H,32,33)/t20-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1.57E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of CYP2C8 (unknown origin) |
Bioorg Med Chem Lett 25: 4945-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.057 BindingDB Entry DOI: 10.7270/Q20Z753B |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50125976
(CHEMBL3627896)Show SMILES Cc1ncn(n1)-c1cc(Cl)c(C(=O)NC[C@H](c2nc3c(C)cc(Cl)cc3[nH]2)c2cccc(F)c2)c(Cl)c1 |r| Show InChI InChI=1S/C26H20Cl3FN6O/c1-13-6-16(27)8-22-24(13)34-25(33-22)19(15-4-3-5-17(30)7-15)11-31-26(37)23-20(28)9-18(10-21(23)29)36-12-32-14(2)35-36/h3-10,12,19H,11H2,1-2H3,(H,31,37)(H,33,34)/t19-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.05E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human ERG |
Bioorg Med Chem Lett 25: 4945-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.057 BindingDB Entry DOI: 10.7270/Q20Z753B |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C8
(Homo sapiens (Human)) | BDBM50125976
(CHEMBL3627896)Show SMILES Cc1ncn(n1)-c1cc(Cl)c(C(=O)NC[C@H](c2nc3c(C)cc(Cl)cc3[nH]2)c2cccc(F)c2)c(Cl)c1 |r| Show InChI InChI=1S/C26H20Cl3FN6O/c1-13-6-16(27)8-22-24(13)34-25(33-22)19(15-4-3-5-17(30)7-15)11-31-26(37)23-20(28)9-18(10-21(23)29)36-12-32-14(2)35-36/h3-10,12,19H,11H2,1-2H3,(H,31,37)(H,33,34)/t19-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 4.04E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of CYP2C8 (unknown origin) |
Bioorg Med Chem Lett 25: 4945-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.057 BindingDB Entry DOI: 10.7270/Q20Z753B |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C8
(Homo sapiens (Human)) | BDBM50125974
(CHEMBL3627895 | US10189819, Example 46)Show SMILES Cc1ncn(n1)-c1cc(Cl)c(C(=O)NC[C@H](c2nc3ccc(Cl)cc3[nH]2)c2cccc(F)c2)c(Cl)c1 |r| Show InChI InChI=1S/C25H18Cl3FN6O/c1-13-31-12-35(34-13)17-9-19(27)23(20(28)10-17)25(36)30-11-18(14-3-2-4-16(29)7-14)24-32-21-6-5-15(26)8-22(21)33-24/h2-10,12,18H,11H2,1H3,(H,30,36)(H,32,33)/t18-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 5.28E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of CYP2C8 (unknown origin) |
Bioorg Med Chem Lett 25: 4945-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.057 BindingDB Entry DOI: 10.7270/Q20Z753B |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50125974
(CHEMBL3627895 | US10189819, Example 46)Show SMILES Cc1ncn(n1)-c1cc(Cl)c(C(=O)NC[C@H](c2nc3ccc(Cl)cc3[nH]2)c2cccc(F)c2)c(Cl)c1 |r| Show InChI InChI=1S/C25H18Cl3FN6O/c1-13-31-12-35(34-13)17-9-19(27)23(20(28)10-17)25(36)30-11-18(14-3-2-4-16(29)7-14)24-32-21-6-5-15(26)8-22(21)33-24/h2-10,12,18H,11H2,1H3,(H,30,36)(H,32,33)/t18-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 5.35E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human ERG |
Bioorg Med Chem Lett 25: 4945-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.057 BindingDB Entry DOI: 10.7270/Q20Z753B |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50125972
(CHEMBL3627894)Show SMILES COc1cc2nc([nH]c2cc1Cl)[C@@H](CNC(=O)c1c(Cl)cc(cc1Cl)-n1cnc(C)n1)c1cccc(F)c1 |r| Show InChI InChI=1S/C26H20Cl3FN6O2/c1-13-32-12-36(35-13)16-7-19(28)24(20(29)8-16)26(37)31-11-17(14-4-3-5-15(30)6-14)25-33-21-9-18(27)23(38-2)10-22(21)34-25/h3-10,12,17H,11H2,1-2H3,(H,31,37)(H,33,34)/t17-/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
| n/a | n/a | 9.09E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of CYP2C9 (unknown origin) |
Bioorg Med Chem Lett 25: 4945-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.057 BindingDB Entry DOI: 10.7270/Q20Z753B |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50125972
(CHEMBL3627894)Show SMILES COc1cc2nc([nH]c2cc1Cl)[C@@H](CNC(=O)c1c(Cl)cc(cc1Cl)-n1cnc(C)n1)c1cccc(F)c1 |r| Show InChI InChI=1S/C26H20Cl3FN6O2/c1-13-32-12-36(35-13)16-7-19(28)24(20(29)8-16)26(37)31-11-17(14-4-3-5-15(30)6-14)25-33-21-9-18(27)23(38-2)10-22(21)34-25/h3-10,12,17H,11H2,1-2H3,(H,31,37)(H,33,34)/t17-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1.09E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human ERG |
Bioorg Med Chem Lett 25: 4945-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.057 BindingDB Entry DOI: 10.7270/Q20Z753B |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50125974
(CHEMBL3627895 | US10189819, Example 46)Show SMILES Cc1ncn(n1)-c1cc(Cl)c(C(=O)NC[C@H](c2nc3ccc(Cl)cc3[nH]2)c2cccc(F)c2)c(Cl)c1 |r| Show InChI InChI=1S/C25H18Cl3FN6O/c1-13-31-12-35(34-13)17-9-19(27)23(20(28)10-17)25(36)30-11-18(14-3-2-4-16(29)7-14)24-32-21-6-5-15(26)8-22(21)33-24/h2-10,12,18H,11H2,1H3,(H,30,36)(H,32,33)/t18-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.98E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of CYP2C9 (unknown origin) |
Bioorg Med Chem Lett 25: 4945-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.057 BindingDB Entry DOI: 10.7270/Q20Z753B |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50125977
(CHEMBL3627897)Show SMILES Cc1ncn(n1)-c1cc(Cl)c(C(=O)NC[C@@H](c2cccc(F)c2)c2ccc3[nH]c(C)nc3c2)c(Cl)c1 |r| Show InChI InChI=1S/C26H21Cl2FN6O/c1-14-31-13-35(34-14)19-10-21(27)25(22(28)11-19)26(36)30-12-20(16-4-3-5-18(29)8-16)17-6-7-23-24(9-17)33-15(2)32-23/h3-11,13,20H,12H2,1-2H3,(H,30,36)(H,32,33)/t20-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1.99E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human ERG |
Bioorg Med Chem Lett 25: 4945-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.057 BindingDB Entry DOI: 10.7270/Q20Z753B |
More data for this Ligand-Target Pair | |