Found 2084 hits with Last Name = 'luo' and Initial = 'c' 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 |
RAF serine/threonine protein kinase
(Homo sapiens (Human)) | BDBM25391
 (CHEMBL200622 | SB-590885 | SB590885 | [2-(4-{4-[(1...)Show SMILES CN(C)CCOc1ccc(cc1)-c1nc(c([nH]1)-c1ccc2C(CCc2c1)N=O)-c1ccncc1 Show InChI InChI=1S/C27H27N5O2/c1-32(2)15-16-34-22-7-3-19(4-8-22)27-29-25(18-11-13-28-14-12-18)26(30-27)21-5-9-23-20(17-21)6-10-24(23)31-33/h3-5,7-9,11-14,17,24H,6,10,15-16H2,1-2H3,(H,29,30) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet 
| CHEMBL PC cid PC sid PDB UniChem
| PDB Article PubMed
| 0.160 | -58.2 | n/a | n/a | n/a | n/a | n/a | 7.0 | 37 |
University of Pennsylvania
| Assay Description BRAF kinase activity was quantified using an ELISA-based MEK phosphorylation assay. IC50 values were derived from the sigmoidal dose-response curve f... |
J Med Chem 51: 6121-7 (2008)
Article DOI: 10.1021/jm800539g BindingDB Entry DOI: 10.7270/Q2BC3WVM |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50101882
 (CHEMBL53829 | Phosphoric acid mono-{2-[3-(3-benzyl...)Show SMILES NC(=N)c1ccc2[nH]c(c(Cc3ccccc3)c2c1)-c1cc(CCOP(O)(O)=O)cc(Br)c1O Show InChI InChI=1S/C24H23BrN3O5P/c25-20-12-15(8-9-33-34(30,31)32)11-19(23(20)29)22-18(10-14-4-2-1-3-5-14)17-13-16(24(26)27)6-7-21(17)28-22/h1-7,11-13,28-29H,8-10H2,(H3,26,27)(H2,30,31,32) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet 
| CHEMBL PC cid PC sid UniChem
| PubMed
| 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Axys Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Inhibitory activity against Coagulation factor X in human plasma |
Bioorg Med Chem Lett 11: 1797-800 (2001)
BindingDB Entry DOI: 10.7270/Q20K27TW |
More data for this Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50101871
 (3-[3-(3-Benzyl-5-carbamimidoyl-1H-indol-2-yl)-5-br...)Show SMILES NC(=N)c1ccc2[nH]c(c(Cc3ccccc3)c2c1)-c1cc(CCC(O)=O)cc(Br)c1O Show InChI InChI=1S/C25H22BrN3O3/c26-20-12-15(6-9-22(30)31)11-19(24(20)32)23-18(10-14-4-2-1-3-5-14)17-13-16(25(27)28)7-8-21(17)29-23/h1-5,7-8,11-13,29,32H,6,9-10H2,(H3,27,28)(H,30,31) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet 
| CHEMBL PC cid PC sid UniChem
Patents
| PubMed
| 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Axys Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Inhibitory activity against Coagulation factor X in human plasma |
Bioorg Med Chem Lett 11: 1797-800 (2001)
BindingDB Entry DOI: 10.7270/Q20K27TW |
More data for this Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50101881
 (4-[3-(3-Benzyl-5-carbamimidoyl-1H-indol-2-yl)-5-br...)Show SMILES NC(=N)c1ccc2[nH]c(c(Cc3ccccc3)c2c1)-c1cc(CCCC(O)=O)cc(Br)c1O Show InChI InChI=1S/C26H24BrN3O3/c27-21-13-16(7-4-8-23(31)32)12-20(25(21)33)24-19(11-15-5-2-1-3-6-15)18-14-17(26(28)29)9-10-22(18)30-24/h1-3,5-6,9-10,12-14,30,33H,4,7-8,11H2,(H3,28,29)(H,31,32) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet 
| CHEMBL PC cid PC sid UniChem
Patents
| PubMed
| 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Axys Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Inhibitory activity against Coagulation factor X in human plasma |
Bioorg Med Chem Lett 11: 1797-800 (2001)
BindingDB Entry DOI: 10.7270/Q20K27TW |
More data for this Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM16127
 (2,2 -methanediylbis(1H-benzimidazole-6-carboximida...)Show SMILES NC(=N)c1ccc2nc(Cc3nc4ccc(cc4[nH]3)C(N)=N)[nH]c2c1 Show InChI InChI=1S/C17H16N8/c18-16(19)8-1-3-10-12(5-8)24-14(22-10)7-15-23-11-4-2-9(17(20)21)6-13(11)25-15/h1-6H,7H2,(H3,18,19)(H3,20,21)(H,22,24)(H,23,25) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet 
| CHEMBL MMDB PC cid PC sid PDB UniChem
Patents
| Article PubMed
| 1 | -50.9 | n/a | n/a | n/a | n/a | n/a | 8.2 | 22 |
Arris
| Assay Description Enzymes were incubated with inhibitors at eight inhibitor concentrations bracketing the Ki, prepared by serial dilution along with control lacking th... |
Nature 391: 608-12 (1998)
Article DOI: 10.1038/35422 BindingDB Entry DOI: 10.7270/Q29P2ZW9 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform/[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial
(Homo sapiens (Human)) | BDBM50236039
 (CHEMBL4092859)Show SMILES COC[C@@H]1COCCN1C(=S)SSC(=S)N1CCOC[C@H]1COC |r| | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet 
| CHEMBL KEGG PC cid PC sid UniChem
| Article PubMed
| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
East China University of Science and Technology
Curated by ChEMBL
| |
J Med Chem 60: 2227-2244 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01245 BindingDB Entry DOI: 10.7270/Q2RN3B3M |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform/[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial
(Homo sapiens (Human)) | BDBM50237390
 (CHEMBL4099635) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet 
| CHEMBL KEGG PC cid PC sid UniChem
| Article PubMed
| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
East China University of Science and Technology
Curated by ChEMBL
| |
J Med Chem 60: 2227-2244 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01245 BindingDB Entry DOI: 10.7270/Q2RN3B3M |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform/[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial
(Homo sapiens (Human)) | BDBM50237411
 (CHEMBL4081635)Show SMILES COC[C@H]1COCCN1C(=S)SSC(=S)N1CCOC[C@@H]1COC |r| | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet 
| CHEMBL KEGG PC cid PC sid UniChem
| Article PubMed
| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
East China University of Science and Technology
Curated by ChEMBL
| |
J Med Chem 60: 2227-2244 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01245 BindingDB Entry DOI: 10.7270/Q2RN3B3M |
More data for this Ligand-Target Pair | |
Trypsin
(Bos taurus (bovine)) | BDBM14338
 (2-{5-[amino(iminiumyl)methyl]-1H-indol-2-yl}-4-nit...)Show SMILES NC(=[NH2+])c1ccc2[nH]c(cc2c1)-c1cc(cc(-c2ccccc2)c1[O-])[N+]([O-])=O Show InChI InChI=1S/C21H16N4O3/c22-21(23)13-6-7-18-14(8-13)9-19(24-18)17-11-15(25(27)28)10-16(20(17)26)12-4-2-1-3-5-12/h1-11,24,26H,(H3,22,23) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet 
| PC cid PC sid UniChem
| Article PubMed
| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Celera
| Assay Description Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis... |
J Mol Biol 329: 93-120 (2003)
Article DOI: 10.1016/s0022-2836(03)00399-1 BindingDB Entry DOI: 10.7270/Q2R78CGQ |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM92906
 (CHK1 compound 1)Show SMILES O[C@H]1CN(C[C@H]1O)C(=O)c1[nH]c2cc(NC(=O)C3C[C@H]3c3ccccc3)cc3c2c1cn[nH]c3=O |r| Show InChI InChI=1S/C25H21N5O5/c31-19-10-30(11-20(19)32)25(35)22-17-9-26-29-24(34)16-6-13(7-18(28-22)21(16)17)27-23(33)15-8-14(15)12-4-2-1-3-5-12/h1-7,9,14-15,19-20,31-32H,8,10-11H2,(H,27,33)/t14-,15?,19-,20+/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet 
| PC cid PC sid UniChem
| Article PubMed
| 1.75 | -49.5 | n/a | n/a | n/a | n/a | n/a | 7.4 | 22 |
Pfizer
| Assay Description The inhibitors reported in this study bind to CHK1 according to a general mechanism illustrated in Scheme 1 where E, S, and I stand for enzyme, subst... |
Biochemistry 48: 9823-30 (2009)
Article DOI: 10.1021/bi900258v BindingDB Entry DOI: 10.7270/Q25M649B |
More data for this Ligand-Target Pair | |
Pyruvate dehydrogenase kinase
(Homo sapiens (Human)) | BDBM50414944
 (CHEMBL121556 | NSC-402538)Show InChI InChI=1S/C10H16N2O2S4/c15-9(11-1-5-13-6-2-11)17-18-10(16)12-3-7-14-8-4-12/h1-8H2 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet 
| Purchase
CHEMBL KEGG PC cid PC sid UniChem
| Article PubMed
| 1.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
East China University of Science and Technology
Curated by ChEMBL
| |
J Med Chem 60: 2227-2244 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01245 BindingDB Entry DOI: 10.7270/Q2RN3B3M |
More data for this Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50101885
 (2-[3-(3-Benzyl-5-carbamimidoyl-1H-indol-2-yl)-5-br...)Show SMILES NC(=O)Cc1cc(Br)c(O)c(c1)-c1[nH]c2ccc(cc2c1Cc1ccccc1)C(N)=N Show InChI InChI=1S/C24H21BrN4O2/c25-19-10-14(11-21(26)30)9-18(23(19)31)22-17(8-13-4-2-1-3-5-13)16-12-15(24(27)28)6-7-20(16)29-22/h1-7,9-10,12,29,31H,8,11H2,(H2,26,30)(H3,27,28) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet 
| CHEMBL PC cid PC sid UniChem
Patents
| PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Axys Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Inhibitory activity against Coagulation factor X in human plasma |
Bioorg Med Chem Lett 11: 1797-800 (2001)
BindingDB Entry DOI: 10.7270/Q20K27TW |
More data for this Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50101883
 (2-[3-(3-Benzyl-5-carbamimidoyl-1H-indol-2-yl)-5-br...)Show SMILES CN(C)C(=O)Cc1cc(Br)c(O)c(c1)-c1[nH]c2ccc(cc2c1Cc1ccccc1)C(N)=N Show InChI InChI=1S/C26H25BrN4O2/c1-31(2)23(32)13-16-11-20(25(33)21(27)12-16)24-19(10-15-6-4-3-5-7-15)18-14-17(26(28)29)8-9-22(18)30-24/h3-9,11-12,14,30,33H,10,13H2,1-2H3,(H3,28,29) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet 
| CHEMBL PC cid PC sid UniChem
Patents
| PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Axys Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Inhibitory activity against Coagulation factor X in human plasma |
Bioorg Med Chem Lett 11: 1797-800 (2001)
BindingDB Entry DOI: 10.7270/Q20K27TW |
More data for this Ligand-Target Pair | |
Urokinase-type plasminogen activator
(Homo sapiens (Human)) | BDBM14352
 (2-{5-[amino(iminiumyl)methyl]-6-chloro-1H-indol-2-...)Show SMILES CN(C)C(=O)c1cc(-c2cc3cc(C(N)=[NH2+])c(Cl)cc3[nH]2)c([O-])c(c1)-c1ccccc1 Show InChI InChI=1S/C24H21ClN4O2/c1-29(2)24(31)15-9-16(13-6-4-3-5-7-13)22(30)18(10-15)21-11-14-8-17(23(26)27)19(25)12-20(14)28-21/h3-12,28,30H,1-2H3,(H3,26,27) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet 
| PC cid PC sid UniChem
| Article PubMed
| 2.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Celera
| Assay Description Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis... |
J Mol Biol 329: 93-120 (2003)
Article DOI: 10.1016/s0022-2836(03)00399-1 BindingDB Entry DOI: 10.7270/Q2R78CGQ |
More data for this Ligand-Target Pair | |
Urokinase-type plasminogen activator
(Homo sapiens (Human)) | BDBM14351
 (2-{5-[amino(iminiumyl)methyl]-6-chloro-1H-indol-2-...)Show SMILES COc1cc(-c2cc3cc(C(N)=[NH2+])c(Cl)cc3[nH]2)c([O-])c(c1)-c1ccccc1 Show InChI InChI=1S/C22H18ClN3O2/c1-28-14-9-15(12-5-3-2-4-6-12)21(27)17(10-14)20-8-13-7-16(22(24)25)18(23)11-19(13)26-20/h2-11,26-27H,1H3,(H3,24,25) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet 
| PC cid PC sid UniChem
| Article PubMed
| 2.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Celera
| Assay Description Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis... |
J Mol Biol 329: 93-120 (2003)
Article DOI: 10.1016/s0022-2836(03)00399-1 BindingDB Entry DOI: 10.7270/Q2R78CGQ |
More data for this Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50101880
 (CHEMBL416127 | [3-(3-Benzyl-5-carbamimidoyl-1H-ind...)Show SMILES COC(=O)Cc1cc(Br)c(O)c(c1)-c1[nH]c2ccc(cc2c1Cc1ccccc1)C(N)=N Show InChI InChI=1S/C25H22BrN3O3/c1-32-22(30)12-15-10-19(24(31)20(26)11-15)23-18(9-14-5-3-2-4-6-14)17-13-16(25(27)28)7-8-21(17)29-23/h2-8,10-11,13,29,31H,9,12H2,1H3,(H3,27,28) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet 
| CHEMBL PC cid PC sid UniChem
Patents
| PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Axys Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Inhibitory activity against Coagulation factor X in human plasma |
Bioorg Med Chem Lett 11: 1797-800 (2001)
BindingDB Entry DOI: 10.7270/Q20K27TW |
More data for this Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50101879
 (CHEMBL50924 | [3-(3-Benzyl-5-carbamimidoyl-1H-indo...)Show SMILES NC(=N)c1ccc2[nH]c(c(Cc3ccccc3)c2c1)-c1cc(CC(O)=O)cc(Br)c1O Show InChI InChI=1S/C24H20BrN3O3/c25-19-10-14(11-21(29)30)9-18(23(19)31)22-17(8-13-4-2-1-3-5-13)16-12-15(24(26)27)6-7-20(16)28-22/h1-7,9-10,12,28,31H,8,11H2,(H3,26,27)(H,29,30) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet 
| CHEMBL PC cid PC sid UniChem
Patents
| PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Axys Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Inhibitory activity against Coagulation factor X in human plasma |
Bioorg Med Chem Lett 11: 1797-800 (2001)
BindingDB Entry DOI: 10.7270/Q20K27TW |
More data for this Ligand-Target Pair | |
Urokinase-type plasminogen activator
(Homo sapiens (Human)) | BDBM14354
 (2-{5-[amino(iminiumyl)methyl]-1H-indol-2-yl}-4-(di...)Show SMILES CN(C)C(=O)c1cc(-c2cc3cc(ccc3[nH]2)C(N)=[NH2+])c([O-])c(c1)-c1ccccc1 Show InChI InChI=1S/C24H22N4O2/c1-28(2)24(30)17-11-18(14-6-4-3-5-7-14)22(29)19(12-17)21-13-16-10-15(23(25)26)8-9-20(16)27-21/h3-13,27,29H,1-2H3,(H3,25,26) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet 
| PC cid PC sid UniChem
| Article PubMed
| 3.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Celera
| Assay Description Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis... |
J Mol Biol 329: 93-120 (2003)
Article DOI: 10.1016/s0022-2836(03)00399-1 BindingDB Entry DOI: 10.7270/Q2R78CGQ |
More data for this Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50101870
 (3-(3-Benzyl-5-carbamimidoyl-1H-indol-2-yl)-5-bromo...)Show SMILES NC(=N)c1ccc2[nH]c(c(Cc3ccccc3)c2c1)-c1cc(cc(Br)c1O)C(O)=O Show InChI InChI=1S/C23H18BrN3O3/c24-18-11-14(23(29)30)10-17(21(18)28)20-16(8-12-4-2-1-3-5-12)15-9-13(22(25)26)6-7-19(15)27-20/h1-7,9-11,27-28H,8H2,(H3,25,26)(H,29,30) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet 
| CHEMBL PC cid PC sid UniChem
| PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Axys Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Inhibitory activity against Coagulation factor X in human plasma |
Bioorg Med Chem Lett 11: 1797-800 (2001)
BindingDB Entry DOI: 10.7270/Q20K27TW |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform/[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial
(Homo sapiens (Human)) | BDBM50414944
 (CHEMBL121556 | NSC-402538)Show InChI InChI=1S/C10H16N2O2S4/c15-9(11-1-5-13-6-2-11)17-18-10(16)12-3-7-14-8-4-12/h1-8H2 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet 
| Purchase
CHEMBL KEGG PC cid PC sid UniChem
| Article PubMed
| 4.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
East China University of Science and Technology
Curated by ChEMBL
| |
J Med Chem 60: 2227-2244 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01245 BindingDB Entry DOI: 10.7270/Q2RN3B3M |
More data for this Ligand-Target Pair | |
Tryptase
(Homo sapiens (Human)) | BDBM16127
 (2,2 -methanediylbis(1H-benzimidazole-6-carboximida...)Show SMILES NC(=N)c1ccc2nc(Cc3nc4ccc(cc4[nH]3)C(N)=N)[nH]c2c1 Show InChI InChI=1S/C17H16N8/c18-16(19)8-1-3-10-12(5-8)24-14(22-10)7-15-23-11-4-2-9(17(20)21)6-13(11)25-15/h1-6H,7H2,(H3,18,19)(H3,20,21)(H,22,24)(H,23,25) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet 
| CHEMBL MMDB PC cid PC sid PDB UniChem
Patents
| Article PubMed
| 5 | -46.9 | n/a | n/a | n/a | n/a | n/a | 8.2 | 22 |
Arris
| Assay Description Enzymes were incubated with inhibitors at eight inhibitor concentrations bracketing the Ki, prepared by serial dilution along with control lacking th... |
Nature 391: 608-12 (1998)
Article DOI: 10.1038/35422 BindingDB Entry DOI: 10.7270/Q29P2ZW9 |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM92906
 (CHK1 compound 1)Show SMILES O[C@H]1CN(C[C@H]1O)C(=O)c1[nH]c2cc(NC(=O)C3C[C@H]3c3ccccc3)cc3c2c1cn[nH]c3=O |r| Show InChI InChI=1S/C25H21N5O5/c31-19-10-30(11-20(19)32)25(35)22-17-9-26-29-24(34)16-6-13(7-18(28-22)21(16)17)27-23(33)15-8-14(15)12-4-2-1-3-5-12/h1-7,9,14-15,19-20,31-32H,8,10-11H2,(H,27,33)/t14-,15?,19-,20+/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet 
| PC cid PC sid UniChem
| Article PubMed
| 5.14 | -46.5 | n/a | n/a | n/a | n/a | n/a | 8.0 | 20 |
Pfizer
| Assay Description Surface plasmon resonance (SPR) biosensor binding studies were conducted using a Biacore 3000 instrument (GE Healtchare). |
Biochemistry 48: 9823-30 (2009)
Article DOI: 10.1021/bi900258v BindingDB Entry DOI: 10.7270/Q25M649B |
More data for this Ligand-Target Pair | |
Trypsin-1
(Homo sapiens (Human)) | BDBM16304
 (2-(1H-1,3-benzodiazol-2-ylcarbonyl)-1H-1,3-benzodi...)Show SMILES NC(=N)c1ccc2nc([nH]c2c1)C(=O)c1nc2ccccc2[nH]1 Show InChI InChI=1S/C16H12N6O/c17-14(18)8-5-6-11-12(7-8)22-16(21-11)13(23)15-19-9-3-1-2-4-10(9)20-15/h1-7H,(H3,17,18)(H,19,20)(H,21,22) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet 
| PC cid PC sid UniChem
| Article PubMed
| 5.20 | -46.8 | n/a | n/a | n/a | n/a | n/a | 8.2 | 22 |
Arris
| Assay Description Enzymes were incubated with inhibitors at eight inhibitor concentrations bracketing the Ki, prepared by serial dilution along with control lacking th... |
Nature 391: 608-12 (1998)
Article DOI: 10.1038/35422 BindingDB Entry DOI: 10.7270/Q29P2ZW9 |
More data for this Ligand-Target Pair | |
Thrombin and coagulation factor X
(Homo sapiens (Human)) | BDBM16303
 (2-(1H-1,3-benzodiazol-2-ylmethyl)-1H-1,3-benzodiaz...)Show InChI InChI=1S/C16H14N6/c17-16(18)9-5-6-12-13(7-9)22-15(21-12)8-14-19-10-3-1-2-4-11(10)20-14/h1-7H,8H2,(H3,17,18)(H,19,20)(H,21,22) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet 
| CHEMBL PC cid PC sid PDB UniChem
Patents
| Article PubMed
| 5.60 | -46.6 | n/a | n/a | n/a | n/a | n/a | 8.2 | 22 |
Arris
| Assay Description Enzymes were incubated with inhibitors at eight inhibitor concentrations bracketing the Ki, prepared by serial dilution along with control lacking th... |
Nature 391: 608-12 (1998)
Article DOI: 10.1038/35422 BindingDB Entry DOI: 10.7270/Q29P2ZW9 |
More data for this Ligand-Target Pair | |
Pyruvate dehydrogenase kinase
(Homo sapiens (Human)) | BDBM50236039
 (CHEMBL4092859)Show SMILES COC[C@@H]1COCCN1C(=S)SSC(=S)N1CCOC[C@H]1COC |r| | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet 
| CHEMBL KEGG PC cid PC sid UniChem
| Article PubMed
| 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
East China University of Science and Technology
Curated by ChEMBL
| |
J Med Chem 60: 2227-2244 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01245 BindingDB Entry DOI: 10.7270/Q2RN3B3M |
More data for this Ligand-Target Pair | |
Thrombin and coagulation factor X
(Homo sapiens (Human)) | BDBM13940
 (2-(3-HYDROXY-PYRIDIN-2-YL)-1H-BENZOIMIDAZOLE-5-CAR...)Show InChI InChI=1S/C13H11N5O/c14-12(15)7-3-4-8-9(6-7)18-13(17-8)11-10(19)2-1-5-16-11/h1-6,19H,(H3,14,15)(H,17,18)/p+1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet 
| MMDB PC cid PC sid PDB UniChem
| PDB Article PubMed
| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Axys Pharmaceuticals Corporation
| Assay Description Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis... |
J Mol Biol 307: 1451-86 (2001)
Article DOI: 10.1006/jmbi.2001.4516 BindingDB Entry DOI: 10.7270/Q2FX77PG |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Urokinase-type plasminogen activator
(Homo sapiens (Human)) | BDBM50115874
 (2-(2-Hydroxy-3-phenoxy-phenyl)-1H-indole-5-carboxa...)Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)-c1cccc(Oc2ccccc2)c1O Show InChI InChI=1S/C21H17N3O2/c22-21(23)13-9-10-17-14(11-13)12-18(24-17)16-7-4-8-19(20(16)25)26-15-5-2-1-3-6-15/h1-12,24-25H,(H3,22,23) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet 
| CHEMBL PC cid PC sid UniChem
| PubMed
| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Celera
Curated by ChEMBL
| Assay Description Inhibition of urokinase-type plasminogen activator |
Bioorg Med Chem Lett 12: 2019-22 (2002)
BindingDB Entry DOI: 10.7270/Q237782T |
More data for this Ligand-Target Pair | |
Urokinase-type plasminogen activator
(Homo sapiens (Human)) | BDBM50102780
 (2-(2-Hydroxy-3-phenyl-phenyl)-1H-indole-5-carboxam...)Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)-c1cccc(-c2ccccc2)c1O Show InChI InChI=1S/C21H17N3O/c22-21(23)14-9-10-18-15(11-14)12-19(24-18)17-8-4-7-16(20(17)25)13-5-2-1-3-6-13/h1-12,24-25H,(H3,22,23) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet 
| CHEMBL PC cid PC sid UniChem
Patents
| PubMed
| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Axys Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description Inhibitory concentration against Human Serine Protease Urokinase Plasminogen Activator |
J Med Chem 44: 2753-71 (2001)
BindingDB Entry DOI: 10.7270/Q2RX9BC7 |
More data for this Ligand-Target Pair | |
Urokinase-type plasminogen activator
(Homo sapiens (Human)) | BDBM14142
 (2-{5-[amino(iminiumyl)methyl]-1H-indol-2-yl}-6-phe...)Show SMILES NC(=[NH2+])c1ccc2[nH]c(cc2c1)-c1cccc(-c2ccccc2)c1[O-] Show InChI InChI=1S/C21H17N3O/c22-21(23)14-9-10-18-15(11-14)12-19(24-18)17-8-4-7-16(20(17)25)13-5-2-1-3-6-13/h1-12,24-25H,(H3,22,23) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet 
| DrugBank PC cid PC sid PDB UniChem
Patents
| PDB PubMed
| 8 | -45.7 | n/a | n/a | n/a | n/a | n/a | 7.4 | 22 |
Axys Pharmaceutical
| Assay Description Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis... |
Chem Biol 8: 1107-21 (2001)
BindingDB Entry DOI: 10.7270/Q2S75DKN |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Urokinase-type plasminogen activator
(Homo sapiens (Human)) | BDBM50102780
 (2-(2-Hydroxy-3-phenyl-phenyl)-1H-indole-5-carboxam...)Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)-c1cccc(-c2ccccc2)c1O Show InChI InChI=1S/C21H17N3O/c22-21(23)14-9-10-18-15(11-14)12-19(24-18)17-8-4-7-16(20(17)25)13-5-2-1-3-6-13/h1-12,24-25H,(H3,22,23) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet 
| CHEMBL PC cid PC sid UniChem
Patents
| PubMed
| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Axys Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description The compound was tested for inhibition of human urokinase type plasminogen activator (microPa) |
J Med Chem 44: 3856-71 (2001)
BindingDB Entry DOI: 10.7270/Q22R3QXR |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform/[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial
(Homo sapiens (Human)) | BDBM50237381
 (CHEMBL4081482) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet 
| CHEMBL KEGG PC cid PC sid UniChem
| Article PubMed
| 8.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
East China University of Science and Technology
Curated by ChEMBL
| Assay Description Agonist activity against human melanocortin receptor hMC31R measured as percent cAMP accumulation at the concentration of 50 uM |
J Med Chem 60: 2227-2244 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01245 BindingDB Entry DOI: 10.7270/Q2RN3B3M |
More data for this Ligand-Target Pair | |
Urokinase-type plasminogen activator
(Homo sapiens (Human)) | BDBM14152
 (6-CHLORO-2-(2-HYDROXY-BIPHENYL-3-YL)-1H-INDOLE-5-C...)Show SMILES NC(=[NH2+])c1cc2cc([nH]c2cc1Cl)-c1cccc(-c2ccccc2)c1O Show InChI InChI=1S/C21H16ClN3O/c22-17-11-18-13(9-16(17)21(23)24)10-19(25-18)15-8-4-7-14(20(15)26)12-5-2-1-3-6-12/h1-11,25-26H,(H3,23,24)/p+1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet 
| DrugBank MMDB PC cid PC sid PDB UniChem
| PDB PubMed
| 9 | -45.5 | n/a | n/a | n/a | n/a | n/a | 7.4 | 22 |
Axys Pharmaceutical
| Assay Description Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis... |
Chem Biol 8: 1107-21 (2001)
BindingDB Entry DOI: 10.7270/Q2S75DKN |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Urokinase-type plasminogen activator
(Homo sapiens (Human)) | BDBM50106240
 (6-Chloro-2-(2-hydroxy-biphenyl-3-yl)-1H-indole-5-c...)Show SMILES NC(=N)c1cc2cc([nH]c2cc1Cl)-c1cccc(-c2ccccc2)c1O Show InChI InChI=1S/C21H16ClN3O/c22-17-11-18-13(9-16(17)21(23)24)10-19(25-18)15-8-4-7-14(20(15)26)12-5-2-1-3-6-12/h1-11,25-26H,(H3,23,24) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet 
| CHEMBL PC cid PC sid UniChem
Patents
| PubMed
| 9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Axys Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description The compound was tested for inhibition of human urokinase type plasminogen activator (microPa) |
J Med Chem 44: 3856-71 (2001)
BindingDB Entry DOI: 10.7270/Q22R3QXR |
More data for this Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50101869
 (2-[3-(3-Benzyl-5-carbamimidoyl-1H-indol-2-yl)-5-br...)Show SMILES CC(C)(C(O)=O)c1cc(Br)c(O)c(c1)-c1[nH]c2ccc(cc2c1Cc1ccccc1)C(N)=N Show InChI InChI=1S/C26H24BrN3O3/c1-26(2,25(32)33)16-12-19(23(31)20(27)13-16)22-18(10-14-6-4-3-5-7-14)17-11-15(24(28)29)8-9-21(17)30-22/h3-9,11-13,30-31H,10H2,1-2H3,(H3,28,29)(H,32,33) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet 
| CHEMBL PC cid PC sid UniChem
| PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Axys Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Inhibitory activity against Coagulation factor X in human plasma |
Bioorg Med Chem Lett 11: 1797-800 (2001)
BindingDB Entry DOI: 10.7270/Q20K27TW |
More data for this Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50101867
 (3-Benzyl-2-[3-bromo-2-hydroxy-5-(2H-tetrazol-5-yl)...)Show SMILES NC(=N)c1ccc2[nH]c(c(Cc3ccccc3)c2c1)-c1cc(cc(Br)c1O)-c1nnn[nH]1 Show InChI InChI=1S/C23H18BrN7O/c24-18-11-14(23-28-30-31-29-23)10-17(21(18)32)20-16(8-12-4-2-1-3-5-12)15-9-13(22(25)26)6-7-19(15)27-20/h1-7,9-11,27,32H,8H2,(H3,25,26)(H,28,29,30,31) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet 
| CHEMBL PC cid PC sid UniChem
| PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Axys Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Inhibitory activity against Coagulation factor X in human plasma |
Bioorg Med Chem Lett 11: 1797-800 (2001)
BindingDB Entry DOI: 10.7270/Q20K27TW |
More data for this Ligand-Target Pair | |
Urokinase-type plasminogen activator
(Homo sapiens (Human)) | BDBM50115868
 (2-{5-[AMINO(IMINIO)METHYL]-6-FLUORO-1H-BENZIMIDAZO...)Show SMILES C[C@H]1CCCC[C@@H]1Oc1cccc(-c2nc3cc(F)c(cc3[nH]2)C(N)=N)c1O Show InChI InChI=1S/C21H23FN4O2/c1-11-5-2-3-7-17(11)28-18-8-4-6-12(19(18)27)21-25-15-9-13(20(23)24)14(22)10-16(15)26-21/h4,6,8-11,17,27H,2-3,5,7H2,1H3,(H3,23,24)(H,25,26)/t11-,17-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet 
| CHEMBL PC cid PC sid UniChem
| PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Celera
Curated by ChEMBL
| Assay Description Inhibition of urokinase-type plasminogen activator |
Bioorg Med Chem Lett 12: 2019-22 (2002)
BindingDB Entry DOI: 10.7270/Q237782T |
More data for this Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM17786
 ((4S)-4-(2-amino-6-phenoxy-3,4-dihydroquinazolin-3-...)Show SMILES CN(C1CCCCC1)C(=O)CC[C@@H](C1CCCCC1)N1Cc2cc(Oc3ccccc3)ccc2N=C1N |r,c:38| Show InChI InChI=1S/C31H42N4O2/c1-34(25-13-7-3-8-14-25)30(36)20-19-29(23-11-5-2-6-12-23)35-22-24-21-27(17-18-28(24)33-31(35)32)37-26-15-9-4-10-16-26/h4,9-10,15-18,21,23,25,29H,2-3,5-8,11-14,19-20,22H2,1H3,(H2,32,33)/t29-/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet 
| MMDB PC cid PC sid PDB UniChem
Patents
| MMDB PDB Article PubMed
| 11 | -45.0 | n/a | n/a | n/a | n/a | n/a | 5.0 | 22 |
Johnson & Johnson Pharmaceutical
| Assay Description BACE-1 activity was measured at pH 5 using the FS1 FRET substrate. Compounds were preincubated with recombinant BACE-1 for 20 min before adding subst... |
J Med Chem 50: 4261-4 (2007)
Article DOI: 10.1021/jm0705408 BindingDB Entry DOI: 10.7270/Q24M92T2 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Trypsin
(Bos taurus (bovine)) | BDBM14142
 (2-{5-[amino(iminiumyl)methyl]-1H-indol-2-yl}-6-phe...)Show SMILES NC(=[NH2+])c1ccc2[nH]c(cc2c1)-c1cccc(-c2ccccc2)c1[O-] Show InChI InChI=1S/C21H17N3O/c22-21(23)14-9-10-18-15(11-14)12-19(24-18)17-8-4-7-16(20(17)25)13-5-2-1-3-6-13/h1-12,24-25H,(H3,22,23) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet 
| DrugBank PC cid PC sid PDB UniChem
Patents
| DrugBank PDB Article PubMed
| 11 | -45.0 | n/a | n/a | n/a | n/a | n/a | 7.45 | 22 |
Celera
| Assay Description Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis... |
J Mol Biol 329: 93-120 (2003)
Article DOI: 10.1016/s0022-2836(03)00399-1 BindingDB Entry DOI: 10.7270/Q2R78CGQ |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Urokinase-type plasminogen activator
(Homo sapiens (Human)) | BDBM14149
 (6-fluoro-2-(2-hydroxy-3-{[(1S,2S)-2-methylcyclohex...)Show SMILES C[C@H]1CCCC[C@@H]1Oc1cccc(-c2cc3cc(C(N)=N)c(F)cc3[nH]2)c1O |r| Show InChI InChI=1S/C22H24FN3O2/c1-12-5-2-3-7-19(12)28-20-8-4-6-14(21(20)27)18-10-13-9-15(22(24)25)16(23)11-17(13)26-18/h4,6,8-12,19,26-27H,2-3,5,7H2,1H3,(H3,24,25)/t12-,19-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet 
| DrugBank MMDB PC cid PC sid PDB UniChem
| PDB PubMed
| 11 | -45.0 | n/a | n/a | n/a | n/a | n/a | 7.4 | 22 |
Axys Pharmaceutical
| Assay Description Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis... |
Chem Biol 8: 1107-21 (2001)
BindingDB Entry DOI: 10.7270/Q2S75DKN |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Urokinase-type plasminogen activator
(Homo sapiens (Human)) | BDBM14152
 (6-CHLORO-2-(2-HYDROXY-BIPHENYL-3-YL)-1H-INDOLE-5-C...)Show SMILES NC(=[NH2+])c1cc2cc([nH]c2cc1Cl)-c1cccc(-c2ccccc2)c1O Show InChI InChI=1S/C21H16ClN3O/c22-17-11-18-13(9-16(17)21(23)24)10-19(25-18)15-8-4-7-14(20(15)26)12-5-2-1-3-6-12/h1-11,25-26H,(H3,23,24)/p+1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet 
| DrugBank MMDB PC cid PC sid PDB UniChem
| PDB Article PubMed
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Celera
| Assay Description Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis... |
J Mol Biol 329: 93-120 (2003)
Article DOI: 10.1016/s0022-2836(03)00399-1 BindingDB Entry DOI: 10.7270/Q2R78CGQ |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Coagulation factor X
(Homo sapiens (Human)) | BDBM14338
 (2-{5-[amino(iminiumyl)methyl]-1H-indol-2-yl}-4-nit...)Show SMILES NC(=[NH2+])c1ccc2[nH]c(cc2c1)-c1cc(cc(-c2ccccc2)c1[O-])[N+]([O-])=O Show InChI InChI=1S/C21H16N4O3/c22-21(23)13-6-7-18-14(8-13)9-19(24-18)17-11-15(25(27)28)10-16(20(17)26)12-4-2-1-3-5-12/h1-11,24,26H,(H3,22,23) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet 
| PC cid PC sid UniChem
| Article PubMed
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Celera
| Assay Description Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis... |
J Mol Biol 329: 93-120 (2003)
Article DOI: 10.1016/s0022-2836(03)00399-1 BindingDB Entry DOI: 10.7270/Q2R78CGQ |
More data for this Ligand-Target Pair | |
Pyruvate dehydrogenase kinase
(Homo sapiens (Human)) | BDBM50237390
 (CHEMBL4099635) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet 
| CHEMBL KEGG PC cid PC sid UniChem
| Article PubMed
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
East China University of Science and Technology
Curated by ChEMBL
| |
J Med Chem 60: 2227-2244 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01245 BindingDB Entry DOI: 10.7270/Q2RN3B3M |
More data for this Ligand-Target Pair | |
Trypsin
(Bos taurus (bovine)) | BDBM14335
 (2-{5-[amino(iminiumyl)methyl]-1H-indol-2-yl}-4-chl...)Show SMILES NC(=[NH2+])c1ccc2[nH]c(cc2c1)-c1cc(Cl)cc(-c2ccccc2)c1[O-] Show InChI InChI=1S/C21H16ClN3O/c22-15-10-16(12-4-2-1-3-5-12)20(26)17(11-15)19-9-14-8-13(21(23)24)6-7-18(14)25-19/h1-11,25-26H,(H3,23,24) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet 
| PC cid PC sid UniChem
| Article PubMed
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Celera
| Assay Description Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis... |
J Mol Biol 329: 93-120 (2003)
Article DOI: 10.1016/s0022-2836(03)00399-1 BindingDB Entry DOI: 10.7270/Q2R78CGQ |
More data for this Ligand-Target Pair | |
Trypsin
(Bos taurus (bovine)) | BDBM14337
 (2-{5-[amino(iminiumyl)methyl]-1H-indol-2-yl}-4-met...)Show SMILES COc1cc(-c2cc3cc(ccc3[nH]2)C(N)=[NH2+])c([O-])c(c1)-c1ccccc1 Show InChI InChI=1S/C22H19N3O2/c1-27-16-11-17(13-5-3-2-4-6-13)21(26)18(12-16)20-10-15-9-14(22(23)24)7-8-19(15)25-20/h2-12,25-26H,1H3,(H3,23,24) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet 
| DrugBank PC cid PC sid PDB UniChem
| PDB Article PubMed
| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Celera
| Assay Description Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis... |
J Mol Biol 329: 93-120 (2003)
Article DOI: 10.1016/s0022-2836(03)00399-1 BindingDB Entry DOI: 10.7270/Q2R78CGQ |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50102790
 (2-(2-Hydroxy-5-nitro-biphenyl-3-yl)-1H-indole-5-ca...)Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)-c1cc(cc(c1O)-c1ccccc1)[N+]([O-])=O Show InChI InChI=1S/C21H16N4O3/c22-21(23)13-6-7-18-14(8-13)9-19(24-18)17-11-15(25(27)28)10-16(20(17)26)12-4-2-1-3-5-12/h1-11,24,26H,(H3,22,23) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet 
| CHEMBL PC cid PC sid UniChem
| PubMed
| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Axys Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description Binding affinity against human coagulation factor X |
J Med Chem 44: 2753-71 (2001)
BindingDB Entry DOI: 10.7270/Q2RX9BC7 |
More data for this Ligand-Target Pair | |
Urokinase-type plasminogen activator
(Homo sapiens (Human)) | BDBM14152
 (6-CHLORO-2-(2-HYDROXY-BIPHENYL-3-YL)-1H-INDOLE-5-C...)Show SMILES NC(=[NH2+])c1cc2cc([nH]c2cc1Cl)-c1cccc(-c2ccccc2)c1O Show InChI InChI=1S/C21H16ClN3O/c22-17-11-18-13(9-16(17)21(23)24)10-19(25-18)15-8-4-7-14(20(15)26)12-5-2-1-3-6-12/h1-11,25-26H,(H3,23,24)/p+1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet 
| DrugBank MMDB PC cid PC sid PDB UniChem
| PDB Article PubMed
| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Celera
| Assay Description Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis... |
J Mol Biol 344: 527-47 (2004)
Article DOI: 10.1016/j.jmb.2004.09.032 BindingDB Entry DOI: 10.7270/Q2V40SF3 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Trypsin
(Bos taurus (bovine)) | BDBM14329
 (2-{5-[amino(iminiumyl)methyl]-1H-indol-2-yl}-4-met...)Show SMILES Cc1cc(-c2cc3cc(ccc3[nH]2)C(N)=[NH2+])c([O-])c(c1)-c1ccccc1 Show InChI InChI=1S/C22H19N3O/c1-13-9-17(14-5-3-2-4-6-14)21(26)18(10-13)20-12-16-11-15(22(23)24)7-8-19(16)25-20/h2-12,25-26H,1H3,(H3,23,24) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet 
| PC cid PC sid UniChem
Patents
| Article PubMed
| 15 | -44.2 | n/a | n/a | n/a | n/a | n/a | 7.6 | 22 |
Celera
| Assay Description Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis... |
J Mol Biol 329: 93-120 (2003)
Article DOI: 10.1016/s0022-2836(03)00399-1 BindingDB Entry DOI: 10.7270/Q2R78CGQ |
More data for this Ligand-Target Pair | |
Urokinase-type plasminogen activator
(Homo sapiens (Human)) | BDBM14150
 (APC-11417 | CA-12 | CRA-11417 | {amino[6-fluoro-2-...)Show SMILES NC(=[NH2+])c1cc2cc([nH]c2cc1F)-c1cccc(-c2ccccc2)c1O Show InChI InChI=1S/C21H16FN3O/c22-17-11-18-13(9-16(17)21(23)24)10-19(25-18)15-8-4-7-14(20(15)26)12-5-2-1-3-6-12/h1-11,25-26H,(H3,23,24)/p+1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet 
| PC cid PC sid UniChem
| Article PubMed
| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Celera
| Assay Description Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis... |
J Mol Biol 344: 527-47 (2004)
Article DOI: 10.1016/j.jmb.2004.09.032 BindingDB Entry DOI: 10.7270/Q2V40SF3 |
More data for this Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM13940
 (2-(3-HYDROXY-PYRIDIN-2-YL)-1H-BENZOIMIDAZOLE-5-CAR...)Show InChI InChI=1S/C13H11N5O/c14-12(15)7-3-4-8-9(6-7)18-13(17-8)11-10(19)2-1-5-16-11/h1-6,19H,(H3,14,15)(H,17,18)/p+1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet 
| MMDB PC cid PC sid PDB UniChem
| Article PubMed
| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Axys Pharmaceuticals Corporation
| Assay Description Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis... |
J Mol Biol 307: 1451-86 (2001)
Article DOI: 10.1006/jmbi.2001.4516 BindingDB Entry DOI: 10.7270/Q2FX77PG |
More data for this Ligand-Target Pair | |
Urokinase-type plasminogen activator
(Homo sapiens (Human)) | BDBM14481
 (CA-23 | [amino({5-[(3,4-dihydroxynaphthalene-2-)am...)Show SMILES [#7]\[#6](-[#7])=[#7+]/c1ccc(-[#7]-[#6](=O)-c2cc3ccccc3c(-[#8])c2-[#8])cn1 Show InChI InChI=1S/C17H15N5O3/c18-17(19)22-13-6-5-10(8-20-13)21-16(25)12-7-9-3-1-2-4-11(9)14(23)15(12)24/h1-8,23-24H,(H,21,25)(H4,18,19,20,22)/p+1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet 
| PC cid PC sid UniChem
| Article PubMed
| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Celera
| Assay Description Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis... |
J Mol Biol 344: 527-47 (2004)
Article DOI: 10.1016/j.jmb.2004.09.032 BindingDB Entry DOI: 10.7270/Q2V40SF3 |
More data for this Ligand-Target Pair | |