Found 52 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Prothrombin
(Homo sapiens (Human)) | BDBM50430383
(CHEMBL2334315)Show SMILES CC(C)(C)OC(=O)CNc1nc(Cl)c2n([C@@H](CC2(C)C)C(=O)NCc2ccc(cc2)C(N)=N)c1=O |r| Show InChI InChI=1S/C24H31ClN6O4/c1-23(2,3)35-16(32)12-28-20-22(34)31-15(10-24(4,5)17(31)18(25)30-20)21(33)29-11-13-6-8-14(9-7-13)19(26)27/h6-9,15H,10-12H2,1-5H3,(H3,26,27)(H,28,30)(H,29,33)/t15-/m0/s1 | PDB
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| 32 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb R&D
Curated by ChEMBL
| Assay Description
Inhibition of thrombin (unknown origin) by chromogenic substrate assay |
Bioorg Med Chem Lett 23: 1604-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.094
BindingDB Entry DOI: 10.7270/Q2PR7XBQ |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50430403
(CHEMBL2334322)Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2CCc3c(Cl)nc(NC4CCC4)c(=O)n23)cc1 |r| Show InChI InChI=1S/C20H23ClN6O2/c21-16-14-8-9-15(27(14)20(29)18(26-16)25-13-2-1-3-13)19(28)24-10-11-4-6-12(7-5-11)17(22)23/h4-7,13,15H,1-3,8-10H2,(H3,22,23)(H,24,28)(H,25,26)/t15-/m0/s1 | PDB
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| 35 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb R&D
Curated by ChEMBL
| Assay Description
Inhibition of thrombin (unknown origin) by chromogenic substrate assay |
Bioorg Med Chem Lett 23: 1604-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.094
BindingDB Entry DOI: 10.7270/Q2PR7XBQ |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50430399
(CHEMBL2334326)Show SMILES CCC[C@]1(C)C[C@@H](C(=O)NCc2ccc(cc2)C(N)=N)n2c1c(Cl)nc(NC1CCC1)c2=O |r| Show InChI InChI=1S/C24H31ClN6O2/c1-3-11-24(2)12-17(22(32)28-13-14-7-9-15(10-8-14)20(26)27)31-18(24)19(25)30-21(23(31)33)29-16-5-4-6-16/h7-10,16-17H,3-6,11-13H2,1-2H3,(H3,26,27)(H,28,32)(H,29,30)/t17-,24+/m0/s1 | PDB
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| 36 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb R&D
Curated by ChEMBL
| Assay Description
Inhibition of thrombin (unknown origin) by chromogenic substrate assay |
Bioorg Med Chem Lett 23: 1604-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.094
BindingDB Entry DOI: 10.7270/Q2PR7XBQ |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50430396
(CHEMBL2334300)Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2CC3(CCCC3)c3c(Cl)nc(NC4CCC4)c(=O)n23)cc1 |r| Show InChI InChI=1S/C24H29ClN6O2/c25-19-18-24(10-1-2-11-24)12-17(31(18)23(33)21(30-19)29-16-4-3-5-16)22(32)28-13-14-6-8-15(9-7-14)20(26)27/h6-9,16-17H,1-5,10-13H2,(H3,26,27)(H,28,32)(H,29,30)/t17-/m0/s1 | PDB
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| 78 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb R&D
Curated by ChEMBL
| Assay Description
Inhibition of thrombin (unknown origin) by chromogenic substrate assay |
Bioorg Med Chem Lett 23: 1604-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.094
BindingDB Entry DOI: 10.7270/Q2PR7XBQ |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50430398
(CHEMBL2334298)Show SMILES CCC[C@@]1(C)C[C@@H](C(=O)NCc2ccc(cc2)C(N)=N)n2c1c(Cl)nc(NC1CCC1)c2=O |r| Show InChI InChI=1S/C24H31ClN6O2/c1-3-11-24(2)12-17(22(32)28-13-14-7-9-15(10-8-14)20(26)27)31-18(24)19(25)30-21(23(31)33)29-16-5-4-6-16/h7-10,16-17H,3-6,11-13H2,1-2H3,(H3,26,27)(H,28,32)(H,29,30)/t17-,24-/m0/s1 | PDB
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| 110 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb R&D
Curated by ChEMBL
| Assay Description
Inhibition of thrombin (unknown origin) by chromogenic substrate assay |
Bioorg Med Chem Lett 23: 1604-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.094
BindingDB Entry DOI: 10.7270/Q2PR7XBQ |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50430390
(CHEMBL2334306)Show SMILES CC(C)Nc1nc(Cl)c2n([C@@H](CC2(C)C)C(=O)NCc2ccc(cc2)C(N)=N)c1=O |r| Show InChI InChI=1S/C21H27ClN6O2/c1-11(2)26-18-20(30)28-14(9-21(3,4)15(28)16(22)27-18)19(29)25-10-12-5-7-13(8-6-12)17(23)24/h5-8,11,14H,9-10H2,1-4H3,(H3,23,24)(H,25,29)(H,26,27)/t14-/m0/s1 | PDB
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| 130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb R&D
Curated by ChEMBL
| Assay Description
Inhibition of thrombin (unknown origin) by chromogenic substrate assay |
Bioorg Med Chem Lett 23: 1604-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.094
BindingDB Entry DOI: 10.7270/Q2PR7XBQ |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50430382
(CHEMBL2334317)Show SMILES CCCNc1cnc2CC[C@@H](C(=O)NCc3ccc(cc3)C(N)=N)n2c1=O |r| Show InChI InChI=1S/C19H24N6O2/c1-2-9-22-14-11-23-16-8-7-15(25(16)19(14)27)18(26)24-10-12-3-5-13(6-4-12)17(20)21/h3-6,11,15,22H,2,7-10H2,1H3,(H3,20,21)(H,24,26)/t15-/m0/s1 | PDB
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| 150 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb R&D
Curated by ChEMBL
| Assay Description
Inhibition of thrombin (unknown origin) by chromogenic substrate assay |
Bioorg Med Chem Lett 23: 1604-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.094
BindingDB Entry DOI: 10.7270/Q2PR7XBQ |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50430387
(CHEMBL2334309)Show SMILES CC1(C)C[C@@H](C(=O)NCc2ccc(cc2)C(N)=N)n2c1c(Cl)nc(NC1CCCC1)c2=O |r| Show InChI InChI=1S/C23H29ClN6O2/c1-23(2)11-16(21(31)27-12-13-7-9-14(10-8-13)19(25)26)30-17(23)18(24)29-20(22(30)32)28-15-5-3-4-6-15/h7-10,15-16H,3-6,11-12H2,1-2H3,(H3,25,26)(H,27,31)(H,28,29)/t16-/m0/s1 | PDB
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| 160 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb R&D
Curated by ChEMBL
| Assay Description
Inhibition of thrombin (unknown origin) by chromogenic substrate assay |
Bioorg Med Chem Lett 23: 1604-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.094
BindingDB Entry DOI: 10.7270/Q2PR7XBQ |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50430397
(CHEMBL2334299)Show SMILES CCCC1(CCC)C[C@@H](C(=O)NCc2ccc(cc2)C(N)=N)n2c1c(Cl)nc(NC1CCC1)c2=O |r| Show InChI InChI=1S/C26H35ClN6O2/c1-3-12-26(13-4-2)14-19(24(34)30-15-16-8-10-17(11-9-16)22(28)29)33-20(26)21(27)32-23(25(33)35)31-18-6-5-7-18/h8-11,18-19H,3-7,12-15H2,1-2H3,(H3,28,29)(H,30,34)(H,31,32)/t19-/m0/s1 | PDB
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| 170 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb R&D
Curated by ChEMBL
| Assay Description
Inhibition of thrombin (unknown origin) by chromogenic substrate assay |
Bioorg Med Chem Lett 23: 1604-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.094
BindingDB Entry DOI: 10.7270/Q2PR7XBQ |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50430402
(CHEMBL2334323)Show SMILES CC1(C)C[C@@H](C(=O)NCc2ccc(cc2)C(N)=N)n2c1c(Cl)nc(NC1CCC1)c2=O |r| Show InChI InChI=1S/C22H27ClN6O2/c1-22(2)10-15(20(30)26-11-12-6-8-13(9-7-12)18(24)25)29-16(22)17(23)28-19(21(29)31)27-14-4-3-5-14/h6-9,14-15H,3-5,10-11H2,1-2H3,(H3,24,25)(H,26,30)(H,27,28)/t15-/m0/s1 | PDB
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| 200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb R&D
Curated by ChEMBL
| Assay Description
Inhibition of thrombin (unknown origin) by chromogenic substrate assay |
Bioorg Med Chem Lett 23: 1604-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.094
BindingDB Entry DOI: 10.7270/Q2PR7XBQ |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50430401
(CHEMBL2334324)Show SMILES CCC1(CC)C[C@@H](C(=O)NCc2ccc(cc2)C(N)=N)n2c1c(Cl)nc(NC1CCC1)c2=O |r| Show InChI InChI=1S/C24H31ClN6O2/c1-3-24(4-2)12-17(22(32)28-13-14-8-10-15(11-9-14)20(26)27)31-18(24)19(25)30-21(23(31)33)29-16-6-5-7-16/h8-11,16-17H,3-7,12-13H2,1-2H3,(H3,26,27)(H,28,32)(H,29,30)/t17-/m0/s1 | PDB
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| 210 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb R&D
Curated by ChEMBL
| Assay Description
Inhibition of thrombin (unknown origin) by chromogenic substrate assay |
Bioorg Med Chem Lett 23: 1604-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.094
BindingDB Entry DOI: 10.7270/Q2PR7XBQ |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50430384
(CHEMBL2334312)Show SMILES CC1(C)C[C@@H](C(=O)NCc2ccc(cc2)C(N)=N)n2c1c(Cl)nc(NCC1CCCCC1)c2=O |r| Show InChI InChI=1S/C25H33ClN6O2/c1-25(2)12-18(23(33)30-14-16-8-10-17(11-9-16)21(27)28)32-19(25)20(26)31-22(24(32)34)29-13-15-6-4-3-5-7-15/h8-11,15,18H,3-7,12-14H2,1-2H3,(H3,27,28)(H,29,31)(H,30,33)/t18-/m0/s1 | PDB
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| 220 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb R&D
Curated by ChEMBL
| Assay Description
Inhibition of thrombin (unknown origin) by chromogenic substrate assay |
Bioorg Med Chem Lett 23: 1604-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.094
BindingDB Entry DOI: 10.7270/Q2PR7XBQ |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50430388
(CHEMBL2334308)Show SMILES CC(C)CNc1nc(Cl)c2n([C@@H](CC2(C)C)C(=O)NCc2ccc(cc2)C(N)=N)c1=O |r| Show InChI InChI=1S/C22H29ClN6O2/c1-12(2)10-26-19-21(31)29-15(9-22(3,4)16(29)17(23)28-19)20(30)27-11-13-5-7-14(8-6-13)18(24)25/h5-8,12,15H,9-11H2,1-4H3,(H3,24,25)(H,26,28)(H,27,30)/t15-/m0/s1 | PDB
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| 220 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb R&D
Curated by ChEMBL
| Assay Description
Inhibition of thrombin (unknown origin) by chromogenic substrate assay |
Bioorg Med Chem Lett 23: 1604-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.094
BindingDB Entry DOI: 10.7270/Q2PR7XBQ |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50430386
(CHEMBL2334310)Show SMILES CC(C)(C)Nc1nc(Cl)c2n([C@@H](CC2(C)C)C(=O)NCc2ccc(cc2)C(N)=N)c1=O |r| Show InChI InChI=1S/C22H29ClN6O2/c1-21(2,3)28-18-20(31)29-14(10-22(4,5)15(29)16(23)27-18)19(30)26-11-12-6-8-13(9-7-12)17(24)25/h6-9,14H,10-11H2,1-5H3,(H3,24,25)(H,26,30)(H,27,28)/t14-/m0/s1 | PDB
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| 220 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb R&D
Curated by ChEMBL
| Assay Description
Inhibition of thrombin (unknown origin) by chromogenic substrate assay |
Bioorg Med Chem Lett 23: 1604-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.094
BindingDB Entry DOI: 10.7270/Q2PR7XBQ |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50430400
(CHEMBL2334325)Show SMILES C[C@@]1(CC=C)C[C@@H](C(=O)NCc2ccc(cc2)C(N)=N)n2c1c(Cl)nc(NC1CCC1)c2=O |r| Show InChI InChI=1S/C24H29ClN6O2/c1-3-11-24(2)12-17(22(32)28-13-14-7-9-15(10-8-14)20(26)27)31-18(24)19(25)30-21(23(31)33)29-16-5-4-6-16/h3,7-10,16-17H,1,4-6,11-13H2,2H3,(H3,26,27)(H,28,32)(H,29,30)/t17-,24+/m0/s1 | PDB
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| 220 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb R&D
Curated by ChEMBL
| Assay Description
Inhibition of thrombin (unknown origin) by chromogenic substrate assay |
Bioorg Med Chem Lett 23: 1604-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.094
BindingDB Entry DOI: 10.7270/Q2PR7XBQ |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50430392
(CHEMBL2334304)Show SMILES CNc1nc(Cl)c2n([C@@H](CC2(C)C)C(=O)NCc2ccc(cc2)C(N)=N)c1=O |r| Show InChI InChI=1S/C19H23ClN6O2/c1-19(2)8-12(26-13(19)14(20)25-16(23-3)18(26)28)17(27)24-9-10-4-6-11(7-5-10)15(21)22/h4-7,12H,8-9H2,1-3H3,(H3,21,22)(H,23,25)(H,24,27)/t12-/m0/s1 | PDB
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| 230 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb R&D
Curated by ChEMBL
| Assay Description
Inhibition of thrombin (unknown origin) by chromogenic substrate assay |
Bioorg Med Chem Lett 23: 1604-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.094
BindingDB Entry DOI: 10.7270/Q2PR7XBQ |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50430391
(CHEMBL2334305)Show SMILES CCNc1nc(Cl)c2n([C@@H](CC2(C)C)C(=O)NCc2ccc(cc2)C(N)=N)c1=O |r| Show InChI InChI=1S/C20H25ClN6O2/c1-4-24-17-19(29)27-13(9-20(2,3)14(27)15(21)26-17)18(28)25-10-11-5-7-12(8-6-11)16(22)23/h5-8,13H,4,9-10H2,1-3H3,(H3,22,23)(H,24,26)(H,25,28)/t13-/m0/s1 | PDB
UniProtKB/SwissProt
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| Article
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| 260 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb R&D
Curated by ChEMBL
| Assay Description
Inhibition of thrombin (unknown origin) by chromogenic substrate assay |
Bioorg Med Chem Lett 23: 1604-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.094
BindingDB Entry DOI: 10.7270/Q2PR7XBQ |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50430383
(CHEMBL2334315)Show SMILES CC(C)(C)OC(=O)CNc1nc(Cl)c2n([C@@H](CC2(C)C)C(=O)NCc2ccc(cc2)C(N)=N)c1=O |r| Show InChI InChI=1S/C24H31ClN6O4/c1-23(2,3)35-16(32)12-28-20-22(34)31-15(10-24(4,5)17(31)18(25)30-20)21(33)29-11-13-6-8-14(9-7-13)19(26)27/h6-9,15H,10-12H2,1-5H3,(H3,26,27)(H,28,30)(H,29,33)/t15-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 290 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb R&D
Curated by ChEMBL
| Assay Description
Inhibition of factor-10a (unknown origin) by chromogenic substrate assay |
Bioorg Med Chem Lett 23: 1604-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.094
BindingDB Entry DOI: 10.7270/Q2PR7XBQ |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50430389
(CHEMBL2334307)Show SMILES CC1(C)C[C@@H](C(=O)NCc2ccc(cc2)C(N)=N)n2c1c(Cl)nc(NC1CC1)c2=O |r| Show InChI InChI=1S/C21H25ClN6O2/c1-21(2)9-14(19(29)25-10-11-3-5-12(6-4-11)17(23)24)28-15(21)16(22)27-18(20(28)30)26-13-7-8-13/h3-6,13-14H,7-10H2,1-2H3,(H3,23,24)(H,25,29)(H,26,27)/t14-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 360 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb R&D
Curated by ChEMBL
| Assay Description
Inhibition of thrombin (unknown origin) by chromogenic substrate assay |
Bioorg Med Chem Lett 23: 1604-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.094
BindingDB Entry DOI: 10.7270/Q2PR7XBQ |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50430385
(CHEMBL2334311)Show SMILES CC1(C)C[C@@H](C(=O)NCc2ccc(cc2)C(N)=N)n2c1c(Cl)nc(NC1(CO)CCCC1)c2=O |r| Show InChI InChI=1S/C24H31ClN6O3/c1-23(2)11-16(21(33)28-12-14-5-7-15(8-6-14)19(26)27)31-17(23)18(25)29-20(22(31)34)30-24(13-32)9-3-4-10-24/h5-8,16,32H,3-4,9-13H2,1-2H3,(H3,26,27)(H,28,33)(H,29,30)/t16-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 380 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb R&D
Curated by ChEMBL
| Assay Description
Inhibition of thrombin (unknown origin) by chromogenic substrate assay |
Bioorg Med Chem Lett 23: 1604-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.094
BindingDB Entry DOI: 10.7270/Q2PR7XBQ |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50430397
(CHEMBL2334299)Show SMILES CCCC1(CCC)C[C@@H](C(=O)NCc2ccc(cc2)C(N)=N)n2c1c(Cl)nc(NC1CCC1)c2=O |r| Show InChI InChI=1S/C26H35ClN6O2/c1-3-12-26(13-4-2)14-19(24(34)30-15-16-8-10-17(11-9-16)22(28)29)33-20(26)21(27)32-23(25(33)35)31-18-6-5-7-18/h8-11,18-19H,3-7,12-15H2,1-2H3,(H3,28,29)(H,30,34)(H,31,32)/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
| 550 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb R&D
Curated by ChEMBL
| Assay Description
Inhibition of factor-10a (unknown origin) by chromogenic substrate assay |
Bioorg Med Chem Lett 23: 1604-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.094
BindingDB Entry DOI: 10.7270/Q2PR7XBQ |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50430400
(CHEMBL2334325)Show SMILES C[C@@]1(CC=C)C[C@@H](C(=O)NCc2ccc(cc2)C(N)=N)n2c1c(Cl)nc(NC1CCC1)c2=O |r| Show InChI InChI=1S/C24H29ClN6O2/c1-3-11-24(2)12-17(22(32)28-13-14-7-9-15(10-8-14)20(26)27)31-18(24)19(25)30-21(23(31)33)29-16-5-4-6-16/h3,7-10,16-17H,1,4-6,11-13H2,2H3,(H3,26,27)(H,28,32)(H,29,30)/t17-,24+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 650 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb R&D
Curated by ChEMBL
| Assay Description
Inhibition of factor-10a (unknown origin) by chromogenic substrate assay |
Bioorg Med Chem Lett 23: 1604-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.094
BindingDB Entry DOI: 10.7270/Q2PR7XBQ |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50430399
(CHEMBL2334326)Show SMILES CCC[C@]1(C)C[C@@H](C(=O)NCc2ccc(cc2)C(N)=N)n2c1c(Cl)nc(NC1CCC1)c2=O |r| Show InChI InChI=1S/C24H31ClN6O2/c1-3-11-24(2)12-17(22(32)28-13-14-7-9-15(10-8-14)20(26)27)31-18(24)19(25)30-21(23(31)33)29-16-5-4-6-16/h7-10,16-17H,3-6,11-13H2,1-2H3,(H3,26,27)(H,28,32)(H,29,30)/t17-,24+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb R&D
Curated by ChEMBL
| Assay Description
Inhibition of factor-10a (unknown origin) by chromogenic substrate assay |
Bioorg Med Chem Lett 23: 1604-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.094
BindingDB Entry DOI: 10.7270/Q2PR7XBQ |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50430394
(CHEMBL2334302)Show SMILES CNC(=O)[C@]1(C)C[C@@H](C(=O)NCc2ccc(cc2)C(N)=N)n2c1c(Cl)nc(NC1CCC1)c2=O |r| Show InChI InChI=1S/C23H28ClN7O3/c1-23(22(34)27-2)10-15(20(32)28-11-12-6-8-13(9-7-12)18(25)26)31-16(23)17(24)30-19(21(31)33)29-14-4-3-5-14/h6-9,14-15H,3-5,10-11H2,1-2H3,(H3,25,26)(H,27,34)(H,28,32)(H,29,30)/t15-,23+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb R&D
Curated by ChEMBL
| Assay Description
Inhibition of factor-10a (unknown origin) by chromogenic substrate assay |
Bioorg Med Chem Lett 23: 1604-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.094
BindingDB Entry DOI: 10.7270/Q2PR7XBQ |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50430378
(CHEMBL2334321)Show SMILES CCCNc1cnc2n([C@@H](CC2(CCC)CCC)C(=O)NCc2ccc(cc2)C(N)=N)c1=O |r| Show InChI InChI=1S/C25H36N6O2/c1-4-11-25(12-5-2)14-20(31-23(33)19(28-13-6-3)16-30-24(25)31)22(32)29-15-17-7-9-18(10-8-17)21(26)27/h7-10,16,20,28H,4-6,11-15H2,1-3H3,(H3,26,27)(H,29,32)/t20-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb R&D
Curated by ChEMBL
| Assay Description
Inhibition of thrombin (unknown origin) by chromogenic substrate assay |
Bioorg Med Chem Lett 23: 1604-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.094
BindingDB Entry DOI: 10.7270/Q2PR7XBQ |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50430381
(CHEMBL2334318)Show SMILES CCCNc1cnc2n([C@@H](CC2(C)C)C(=O)NCc2ccc(cc2)C(N)=N)c1=O |r| Show InChI InChI=1S/C21H28N6O2/c1-4-9-24-15-12-26-20-21(2,3)10-16(27(20)19(15)29)18(28)25-11-13-5-7-14(8-6-13)17(22)23/h5-8,12,16,24H,4,9-11H2,1-3H3,(H3,22,23)(H,25,28)/t16-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb R&D
Curated by ChEMBL
| Assay Description
Inhibition of thrombin (unknown origin) by chromogenic substrate assay |
Bioorg Med Chem Lett 23: 1604-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.094
BindingDB Entry DOI: 10.7270/Q2PR7XBQ |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50430379
(CHEMBL2334320)Show SMILES CCCNc1cnc2n([C@@H](C[C@@]2(C)CC)C(=O)NCc2ccc(cc2)C(N)=N)c1=O |r| Show InChI InChI=1S/C22H30N6O2/c1-4-10-25-16-13-27-21-22(3,5-2)11-17(28(21)20(16)30)19(29)26-12-14-6-8-15(9-7-14)18(23)24/h6-9,13,17,25H,4-5,10-12H2,1-3H3,(H3,23,24)(H,26,29)/t17-,22+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb R&D
Curated by ChEMBL
| Assay Description
Inhibition of thrombin (unknown origin) by chromogenic substrate assay |
Bioorg Med Chem Lett 23: 1604-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.094
BindingDB Entry DOI: 10.7270/Q2PR7XBQ |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50430398
(CHEMBL2334298)Show SMILES CCC[C@@]1(C)C[C@@H](C(=O)NCc2ccc(cc2)C(N)=N)n2c1c(Cl)nc(NC1CCC1)c2=O |r| Show InChI InChI=1S/C24H31ClN6O2/c1-3-11-24(2)12-17(22(32)28-13-14-7-9-15(10-8-14)20(26)27)31-18(24)19(25)30-21(23(31)33)29-16-5-4-6-16/h7-10,16-17H,3-6,11-13H2,1-2H3,(H3,26,27)(H,28,32)(H,29,30)/t17-,24-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb R&D
Curated by ChEMBL
| Assay Description
Inhibition of factor-10a (unknown origin) by chromogenic substrate assay |
Bioorg Med Chem Lett 23: 1604-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.094
BindingDB Entry DOI: 10.7270/Q2PR7XBQ |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50430386
(CHEMBL2334310)Show SMILES CC(C)(C)Nc1nc(Cl)c2n([C@@H](CC2(C)C)C(=O)NCc2ccc(cc2)C(N)=N)c1=O |r| Show InChI InChI=1S/C22H29ClN6O2/c1-21(2,3)28-18-20(31)29-14(10-22(4,5)15(29)16(23)27-18)19(30)26-11-12-6-8-13(9-7-12)17(24)25/h6-9,14H,10-11H2,1-5H3,(H3,24,25)(H,26,30)(H,27,28)/t14-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb R&D
Curated by ChEMBL
| Assay Description
Inhibition of factor-10a (unknown origin) by chromogenic substrate assay |
Bioorg Med Chem Lett 23: 1604-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.094
BindingDB Entry DOI: 10.7270/Q2PR7XBQ |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50430401
(CHEMBL2334324)Show SMILES CCC1(CC)C[C@@H](C(=O)NCc2ccc(cc2)C(N)=N)n2c1c(Cl)nc(NC1CCC1)c2=O |r| Show InChI InChI=1S/C24H31ClN6O2/c1-3-24(4-2)12-17(22(32)28-13-14-8-10-15(11-9-14)20(26)27)31-18(24)19(25)30-21(23(31)33)29-16-6-5-7-16/h8-11,16-17H,3-7,12-13H2,1-2H3,(H3,26,27)(H,28,32)(H,29,30)/t17-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| 3.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb R&D
Curated by ChEMBL
| Assay Description
Inhibition of factor-10a (unknown origin) by chromogenic substrate assay |
Bioorg Med Chem Lett 23: 1604-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.094
BindingDB Entry DOI: 10.7270/Q2PR7XBQ |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50430378
(CHEMBL2334321)Show SMILES CCCNc1cnc2n([C@@H](CC2(CCC)CCC)C(=O)NCc2ccc(cc2)C(N)=N)c1=O |r| Show InChI InChI=1S/C25H36N6O2/c1-4-11-25(12-5-2)14-20(31-23(33)19(28-13-6-3)16-30-24(25)31)22(32)29-15-17-7-9-18(10-8-17)21(26)27/h7-10,16,20,28H,4-6,11-15H2,1-3H3,(H3,26,27)(H,29,32)/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
| 3.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb R&D
Curated by ChEMBL
| Assay Description
Inhibition of factor-10a (unknown origin) by chromogenic substrate assay |
Bioorg Med Chem Lett 23: 1604-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.094
BindingDB Entry DOI: 10.7270/Q2PR7XBQ |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50430393
(CHEMBL2334303)Show SMILES C[C@]1(C[C@@H](C(=O)NCc2ccc(cc2)C(N)=N)n2c1c(Cl)nc(NC1CCC1)c2=O)C(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C29H32ClN7O3/c1-29(28(40)34-16-17-6-3-2-4-7-17)14-21(26(38)33-15-18-10-12-19(13-11-18)24(31)32)37-22(29)23(30)36-25(27(37)39)35-20-8-5-9-20/h2-4,6-7,10-13,20-21H,5,8-9,14-16H2,1H3,(H3,31,32)(H,33,38)(H,34,40)(H,35,36)/t21-,29+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb R&D
Curated by ChEMBL
| Assay Description
Inhibition of factor-10a (unknown origin) by chromogenic substrate assay |
Bioorg Med Chem Lett 23: 1604-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.094
BindingDB Entry DOI: 10.7270/Q2PR7XBQ |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50430380
(CHEMBL2334319)Show SMILES CCCNc1cnc2n([C@@H](CC2(CC)CC)C(=O)NCc2ccc(cc2)C(N)=N)c1=O |r| Show InChI InChI=1S/C23H32N6O2/c1-4-11-26-17-14-28-22-23(5-2,6-3)12-18(29(22)21(17)31)20(30)27-13-15-7-9-16(10-8-15)19(24)25/h7-10,14,18,26H,4-6,11-13H2,1-3H3,(H3,24,25)(H,27,30)/t18-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb R&D
Curated by ChEMBL
| Assay Description
Inhibition of thrombin (unknown origin) by chromogenic substrate assay |
Bioorg Med Chem Lett 23: 1604-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.094
BindingDB Entry DOI: 10.7270/Q2PR7XBQ |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50430380
(CHEMBL2334319)Show SMILES CCCNc1cnc2n([C@@H](CC2(CC)CC)C(=O)NCc2ccc(cc2)C(N)=N)c1=O |r| Show InChI InChI=1S/C23H32N6O2/c1-4-11-26-17-14-28-22-23(5-2,6-3)12-18(29(22)21(17)31)20(30)27-13-15-7-9-16(10-8-15)19(24)25/h7-10,14,18,26H,4-6,11-13H2,1-3H3,(H3,24,25)(H,27,30)/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
| 1.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb R&D
Curated by ChEMBL
| Assay Description
Inhibition of factor-10a (unknown origin) by chromogenic substrate assay |
Bioorg Med Chem Lett 23: 1604-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.094
BindingDB Entry DOI: 10.7270/Q2PR7XBQ |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50430379
(CHEMBL2334320)Show SMILES CCCNc1cnc2n([C@@H](C[C@@]2(C)CC)C(=O)NCc2ccc(cc2)C(N)=N)c1=O |r| Show InChI InChI=1S/C22H30N6O2/c1-4-10-25-16-13-27-21-22(3,5-2)11-17(28(21)20(16)30)19(29)26-12-14-6-8-15(9-7-14)18(23)24/h6-9,13,17,25H,4-5,10-12H2,1-3H3,(H3,23,24)(H,26,29)/t17-,22+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb R&D
Curated by ChEMBL
| Assay Description
Inhibition of factor-10a (unknown origin) by chromogenic substrate assay |
Bioorg Med Chem Lett 23: 1604-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.094
BindingDB Entry DOI: 10.7270/Q2PR7XBQ |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50430402
(CHEMBL2334323)Show SMILES CC1(C)C[C@@H](C(=O)NCc2ccc(cc2)C(N)=N)n2c1c(Cl)nc(NC1CCC1)c2=O |r| Show InChI InChI=1S/C22H27ClN6O2/c1-22(2)10-15(20(30)26-11-12-6-8-13(9-7-12)18(24)25)29-16(22)17(23)28-19(21(29)31)27-14-4-3-5-14/h6-9,14-15H,3-5,10-11H2,1-2H3,(H3,24,25)(H,26,30)(H,27,28)/t15-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb R&D
Curated by ChEMBL
| Assay Description
Inhibition of factor-10a (unknown origin) by chromogenic substrate assay |
Bioorg Med Chem Lett 23: 1604-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.094
BindingDB Entry DOI: 10.7270/Q2PR7XBQ |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50430390
(CHEMBL2334306)Show SMILES CC(C)Nc1nc(Cl)c2n([C@@H](CC2(C)C)C(=O)NCc2ccc(cc2)C(N)=N)c1=O |r| Show InChI InChI=1S/C21H27ClN6O2/c1-11(2)26-18-20(30)28-14(9-21(3,4)15(28)16(22)27-18)19(29)25-10-12-5-7-13(8-6-12)17(23)24/h5-8,11,14H,9-10H2,1-4H3,(H3,23,24)(H,25,29)(H,26,27)/t14-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb R&D
Curated by ChEMBL
| Assay Description
Inhibition of factor-10a (unknown origin) by chromogenic substrate assay |
Bioorg Med Chem Lett 23: 1604-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.094
BindingDB Entry DOI: 10.7270/Q2PR7XBQ |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50430389
(CHEMBL2334307)Show SMILES CC1(C)C[C@@H](C(=O)NCc2ccc(cc2)C(N)=N)n2c1c(Cl)nc(NC1CC1)c2=O |r| Show InChI InChI=1S/C21H25ClN6O2/c1-21(2)9-14(19(29)25-10-11-3-5-12(6-4-11)17(23)24)28-15(21)16(22)27-18(20(28)30)26-13-7-8-13/h3-6,13-14H,7-10H2,1-2H3,(H3,23,24)(H,25,29)(H,26,27)/t14-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb R&D
Curated by ChEMBL
| Assay Description
Inhibition of factor-10a (unknown origin) by chromogenic substrate assay |
Bioorg Med Chem Lett 23: 1604-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.094
BindingDB Entry DOI: 10.7270/Q2PR7XBQ |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50430382
(CHEMBL2334317)Show SMILES CCCNc1cnc2CC[C@@H](C(=O)NCc3ccc(cc3)C(N)=N)n2c1=O |r| Show InChI InChI=1S/C19H24N6O2/c1-2-9-22-14-11-23-16-8-7-15(25(16)19(14)27)18(26)24-10-12-3-5-13(6-4-12)17(20)21/h3-6,11,15,22H,2,7-10H2,1H3,(H3,20,21)(H,24,26)/t15-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb R&D
Curated by ChEMBL
| Assay Description
Inhibition of factor-10a (unknown origin) by chromogenic substrate assay |
Bioorg Med Chem Lett 23: 1604-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.094
BindingDB Entry DOI: 10.7270/Q2PR7XBQ |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50430385
(CHEMBL2334311)Show SMILES CC1(C)C[C@@H](C(=O)NCc2ccc(cc2)C(N)=N)n2c1c(Cl)nc(NC1(CO)CCCC1)c2=O |r| Show InChI InChI=1S/C24H31ClN6O3/c1-23(2)11-16(21(33)28-12-14-5-7-15(8-6-14)19(26)27)31-17(23)18(25)29-20(22(31)34)30-24(13-32)9-3-4-10-24/h5-8,16,32H,3-4,9-13H2,1-2H3,(H3,26,27)(H,28,33)(H,29,30)/t16-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb R&D
Curated by ChEMBL
| Assay Description
Inhibition of factor-10a (unknown origin) by chromogenic substrate assay |
Bioorg Med Chem Lett 23: 1604-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.094
BindingDB Entry DOI: 10.7270/Q2PR7XBQ |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50430388
(CHEMBL2334308)Show SMILES CC(C)CNc1nc(Cl)c2n([C@@H](CC2(C)C)C(=O)NCc2ccc(cc2)C(N)=N)c1=O |r| Show InChI InChI=1S/C22H29ClN6O2/c1-12(2)10-26-19-21(31)29-15(9-22(3,4)16(29)17(23)28-19)20(30)27-11-13-5-7-14(8-6-13)18(24)25/h5-8,12,15H,9-11H2,1-4H3,(H3,24,25)(H,26,28)(H,27,30)/t15-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb R&D
Curated by ChEMBL
| Assay Description
Inhibition of factor-10a (unknown origin) by chromogenic substrate assay |
Bioorg Med Chem Lett 23: 1604-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.094
BindingDB Entry DOI: 10.7270/Q2PR7XBQ |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50430384
(CHEMBL2334312)Show SMILES CC1(C)C[C@@H](C(=O)NCc2ccc(cc2)C(N)=N)n2c1c(Cl)nc(NCC1CCCCC1)c2=O |r| Show InChI InChI=1S/C25H33ClN6O2/c1-25(2)12-18(23(33)30-14-16-8-10-17(11-9-16)21(27)28)32-19(25)20(26)31-22(24(32)34)29-13-15-6-4-3-5-7-15/h8-11,15,18H,3-7,12-14H2,1-2H3,(H3,27,28)(H,29,31)(H,30,33)/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
| >1.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb R&D
Curated by ChEMBL
| Assay Description
Inhibition of factor-10a (unknown origin) by chromogenic substrate assay |
Bioorg Med Chem Lett 23: 1604-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.094
BindingDB Entry DOI: 10.7270/Q2PR7XBQ |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50430394
(CHEMBL2334302)Show SMILES CNC(=O)[C@]1(C)C[C@@H](C(=O)NCc2ccc(cc2)C(N)=N)n2c1c(Cl)nc(NC1CCC1)c2=O |r| Show InChI InChI=1S/C23H28ClN7O3/c1-23(22(34)27-2)10-15(20(32)28-11-12-6-8-13(9-7-12)18(25)26)31-16(23)17(24)30-19(21(31)33)29-14-4-3-5-14/h6-9,14-15H,3-5,10-11H2,1-2H3,(H3,25,26)(H,27,34)(H,28,32)(H,29,30)/t15-,23+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb R&D
Curated by ChEMBL
| Assay Description
Inhibition of thrombin (unknown origin) by chromogenic substrate assay |
Bioorg Med Chem Lett 23: 1604-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.094
BindingDB Entry DOI: 10.7270/Q2PR7XBQ |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50430393
(CHEMBL2334303)Show SMILES C[C@]1(C[C@@H](C(=O)NCc2ccc(cc2)C(N)=N)n2c1c(Cl)nc(NC1CCC1)c2=O)C(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C29H32ClN7O3/c1-29(28(40)34-16-17-6-3-2-4-7-17)14-21(26(38)33-15-18-10-12-19(13-11-18)24(31)32)37-22(29)23(30)36-25(27(37)39)35-20-8-5-9-20/h2-4,6-7,10-13,20-21H,5,8-9,14-16H2,1H3,(H3,31,32)(H,33,38)(H,34,40)(H,35,36)/t21-,29+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb R&D
Curated by ChEMBL
| Assay Description
Inhibition of thrombin (unknown origin) by chromogenic substrate assay |
Bioorg Med Chem Lett 23: 1604-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.094
BindingDB Entry DOI: 10.7270/Q2PR7XBQ |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50430387
(CHEMBL2334309)Show SMILES CC1(C)C[C@@H](C(=O)NCc2ccc(cc2)C(N)=N)n2c1c(Cl)nc(NC1CCCC1)c2=O |r| Show InChI InChI=1S/C23H29ClN6O2/c1-23(2)11-16(21(31)27-12-13-7-9-14(10-8-13)19(25)26)30-17(23)18(24)29-20(22(30)32)28-15-5-3-4-6-15/h7-10,15-16H,3-6,11-12H2,1-2H3,(H3,25,26)(H,27,31)(H,28,29)/t16-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb R&D
Curated by ChEMBL
| Assay Description
Inhibition of factor-10a (unknown origin) by chromogenic substrate assay |
Bioorg Med Chem Lett 23: 1604-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.094
BindingDB Entry DOI: 10.7270/Q2PR7XBQ |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50430395
(CHEMBL2334301)Show SMILES C[C@@]1(CO)C[C@@H](C(=O)NCc2ccc(cc2)C(N)=N)n2c1c(Cl)nc(NC1CCC1)c2=O |r| Show InChI InChI=1S/C22H27ClN6O3/c1-22(11-30)9-15(20(31)26-10-12-5-7-13(8-6-12)18(24)25)29-16(22)17(23)28-19(21(29)32)27-14-3-2-4-14/h5-8,14-15,30H,2-4,9-11H2,1H3,(H3,24,25)(H,26,31)(H,27,28)/t15-,22-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb R&D
Curated by ChEMBL
| Assay Description
Inhibition of factor-10a (unknown origin) by chromogenic substrate assay |
Bioorg Med Chem Lett 23: 1604-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.094
BindingDB Entry DOI: 10.7270/Q2PR7XBQ |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50430392
(CHEMBL2334304)Show SMILES CNc1nc(Cl)c2n([C@@H](CC2(C)C)C(=O)NCc2ccc(cc2)C(N)=N)c1=O |r| Show InChI InChI=1S/C19H23ClN6O2/c1-19(2)8-12(26-13(19)14(20)25-16(23-3)18(26)28)17(27)24-9-10-4-6-11(7-5-10)15(21)22/h4-7,12H,8-9H2,1-3H3,(H3,21,22)(H,23,25)(H,24,27)/t12-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb R&D
Curated by ChEMBL
| Assay Description
Inhibition of factor-10a (unknown origin) by chromogenic substrate assay |
Bioorg Med Chem Lett 23: 1604-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.094
BindingDB Entry DOI: 10.7270/Q2PR7XBQ |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50430403
(CHEMBL2334322)Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2CCc3c(Cl)nc(NC4CCC4)c(=O)n23)cc1 |r| Show InChI InChI=1S/C20H23ClN6O2/c21-16-14-8-9-15(27(14)20(29)18(26-16)25-13-2-1-3-13)19(28)24-10-11-4-6-12(7-5-11)17(22)23/h4-7,13,15H,1-3,8-10H2,(H3,22,23)(H,24,28)(H,25,26)/t15-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb R&D
Curated by ChEMBL
| Assay Description
Inhibition of factor-10a (unknown origin) by chromogenic substrate assay |
Bioorg Med Chem Lett 23: 1604-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.094
BindingDB Entry DOI: 10.7270/Q2PR7XBQ |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50430395
(CHEMBL2334301)Show SMILES C[C@@]1(CO)C[C@@H](C(=O)NCc2ccc(cc2)C(N)=N)n2c1c(Cl)nc(NC1CCC1)c2=O |r| Show InChI InChI=1S/C22H27ClN6O3/c1-22(11-30)9-15(20(31)26-10-12-5-7-13(8-6-12)18(24)25)29-16(22)17(23)28-19(21(29)32)27-14-3-2-4-14/h5-8,14-15,30H,2-4,9-11H2,1H3,(H3,24,25)(H,26,31)(H,27,28)/t15-,22-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb R&D
Curated by ChEMBL
| Assay Description
Inhibition of thrombin (unknown origin) by chromogenic substrate assay |
Bioorg Med Chem Lett 23: 1604-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.094
BindingDB Entry DOI: 10.7270/Q2PR7XBQ |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50430396
(CHEMBL2334300)Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2CC3(CCCC3)c3c(Cl)nc(NC4CCC4)c(=O)n23)cc1 |r| Show InChI InChI=1S/C24H29ClN6O2/c25-19-18-24(10-1-2-11-24)12-17(31(18)23(33)21(30-19)29-16-4-3-5-16)22(32)28-13-14-6-8-15(9-7-14)20(26)27/h6-9,16-17H,1-5,10-13H2,(H3,26,27)(H,28,32)(H,29,30)/t17-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb R&D
Curated by ChEMBL
| Assay Description
Inhibition of factor-10a (unknown origin) by chromogenic substrate assay |
Bioorg Med Chem Lett 23: 1604-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.094
BindingDB Entry DOI: 10.7270/Q2PR7XBQ |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50430381
(CHEMBL2334318)Show SMILES CCCNc1cnc2n([C@@H](CC2(C)C)C(=O)NCc2ccc(cc2)C(N)=N)c1=O |r| Show InChI InChI=1S/C21H28N6O2/c1-4-9-24-15-12-26-20-21(2,3)10-16(27(20)19(15)29)18(28)25-11-13-5-7-14(8-6-13)17(22)23/h5-8,12,16,24H,4,9-11H2,1-3H3,(H3,22,23)(H,25,28)/t16-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb R&D
Curated by ChEMBL
| Assay Description
Inhibition of factor-10a (unknown origin) by chromogenic substrate assay |
Bioorg Med Chem Lett 23: 1604-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.094
BindingDB Entry DOI: 10.7270/Q2PR7XBQ |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50430391
(CHEMBL2334305)Show SMILES CCNc1nc(Cl)c2n([C@@H](CC2(C)C)C(=O)NCc2ccc(cc2)C(N)=N)c1=O |r| Show InChI InChI=1S/C20H25ClN6O2/c1-4-24-17-19(29)27-13(9-20(2,3)14(27)15(21)26-17)18(28)25-10-11-5-7-12(8-6-11)16(22)23/h5-8,13H,4,9-10H2,1-3H3,(H3,22,23)(H,24,26)(H,25,28)/t13-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb R&D
Curated by ChEMBL
| Assay Description
Inhibition of factor-10a (unknown origin) by chromogenic substrate assay |
Bioorg Med Chem Lett 23: 1604-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.094
BindingDB Entry DOI: 10.7270/Q2PR7XBQ |
More data for this
Ligand-Target Pair | |
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