Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 335.3 BDBM14332

Wt: 335.3 BDBM50115856

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 10 hits in this display   

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
Serine protease 1 (Bos taurus (bovine))	BDBM14332 (2-{5-[amino(iminiumyl)methyl]-1H-indol-2-yl}-6-(cy...) Show SMILES NC(=[NH2+])c1ccc2[nH]c(cc2c1)-c1cccc(OC2CCCC2)c1[O-] Show InChI InChI=1S/C20H21N3O2/c21-20(22)12-8-9-16-13(10-12)11-17(23-16)15-6-3-7-18(19(15)24)25-14-4-1-2-5-14/h3,6-11,14,23-24H,1-2,4-5H2,(H3,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	DrugBank PC cid PC sid PDB UniChem Similars	DrugBank PDB Article PubMed	68	-40.5	n/a	n/a	n/a	n/a	n/a	8.06	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))	BDBM14332 (2-{5-[amino(iminiumyl)methyl]-1H-indol-2-yl}-6-(cy...) Show SMILES NC(=[NH2+])c1ccc2[nH]c(cc2c1)-c1cccc(OC2CCCC2)c1[O-] Show InChI InChI=1S/C20H21N3O2/c21-20(22)12-8-9-16-13(10-12)11-17(23-16)15-6-3-7-18(19(15)24)25-14-4-1-2-5-14/h3,6-11,14,23-24H,1-2,4-5H2,(H3,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	DrugBank PC cid PC sid PDB UniChem Similars	Article PubMed	190	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))	BDBM50115856 (2-(3-Cyclopentyloxy-2-hydroxy-phenyl)-1H-indole-5-...) Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)-c1cccc(OC2CCCC2)c1O Show InChI InChI=1S/C20H21N3O2/c21-20(22)12-8-9-16-13(10-12)11-17(23-16)15-6-3-7-18(19(15)24)25-14-4-1-2-5-14/h3,6-11,14,23-24H,1-2,4-5H2,(H3,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	190	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
Plasminogen (Homo sapiens (Human))	BDBM50115856 (2-(3-Cyclopentyloxy-2-hydroxy-phenyl)-1H-indole-5-...) Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)-c1cccc(OC2CCCC2)c1O Show InChI InChI=1S/C20H21N3O2/c21-20(22)12-8-9-16-13(10-12)11-17(23-16)15-6-3-7-18(19(15)24)25-14-4-1-2-5-14/h3,6-11,14,23-24H,1-2,4-5H2,(H3,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	310	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Celera Curated by ChEMBL					Assay Description Inhibition of plasmin				Bioorg Med Chem Lett 12: 2019-22 (2002) BindingDB Entry DOI: 10.7270/Q237782T
					More data for this Ligand-Target Pair
Tissue-type plasminogen activator (Homo sapiens (Human))	BDBM50115856 (2-(3-Cyclopentyloxy-2-hydroxy-phenyl)-1H-indole-5-...) Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)-c1cccc(OC2CCCC2)c1O Show InChI InChI=1S/C20H21N3O2/c21-20(22)12-8-9-16-13(10-12)11-17(23-16)15-6-3-7-18(19(15)24)25-14-4-1-2-5-14/h3,6-11,14,23-24H,1-2,4-5H2,(H3,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	590	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Celera Curated by ChEMBL					Assay Description Inhibition of tissue-type plasminogen activator				Bioorg Med Chem Lett 12: 2019-22 (2002) BindingDB Entry DOI: 10.7270/Q237782T
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM14332 (2-{5-[amino(iminiumyl)methyl]-1H-indol-2-yl}-6-(cy...) Show SMILES NC(=[NH2+])c1ccc2[nH]c(cc2c1)-c1cccc(OC2CCCC2)c1[O-] Show InChI InChI=1S/C20H21N3O2/c21-20(22)12-8-9-16-13(10-12)11-17(23-16)15-6-3-7-18(19(15)24)25-14-4-1-2-5-14/h3,6-11,14,23-24H,1-2,4-5H2,(H3,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	DrugBank PC cid PC sid PDB UniChem Similars	Article PubMed	700	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))	BDBM50115856 (2-(3-Cyclopentyloxy-2-hydroxy-phenyl)-1H-indole-5-...) Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)-c1cccc(OC2CCCC2)c1O Show InChI InChI=1S/C20H21N3O2/c21-20(22)12-8-9-16-13(10-12)11-17(23-16)15-6-3-7-18(19(15)24)25-14-4-1-2-5-14/h3,6-11,14,23-24H,1-2,4-5H2,(H3,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	990	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Celera Curated by ChEMBL					Assay Description Inhibition of Coagulation factor X				Bioorg Med Chem Lett 12: 2019-22 (2002) BindingDB Entry DOI: 10.7270/Q237782T
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM14332 (2-{5-[amino(iminiumyl)methyl]-1H-indol-2-yl}-6-(cy...) Show SMILES NC(=[NH2+])c1ccc2[nH]c(cc2c1)-c1cccc(OC2CCCC2)c1[O-] Show InChI InChI=1S/C20H21N3O2/c21-20(22)12-8-9-16-13(10-12)11-17(23-16)15-6-3-7-18(19(15)24)25-14-4-1-2-5-14/h3,6-11,14,23-24H,1-2,4-5H2,(H3,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	DrugBank PC cid PC sid PDB UniChem Similars	Article PubMed	1.00E+3	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
Prothrombin (Homo sapiens (Human))	BDBM50115856 (2-(3-Cyclopentyloxy-2-hydroxy-phenyl)-1H-indole-5-...) Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)-c1cccc(OC2CCCC2)c1O Show InChI InChI=1S/C20H21N3O2/c21-20(22)12-8-9-16-13(10-12)11-17(23-16)15-6-3-7-18(19(15)24)25-14-4-1-2-5-14/h3,6-11,14,23-24H,1-2,4-5H2,(H3,21,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Celera Curated by ChEMBL					Assay Description Inhibition of thrombin				Bioorg Med Chem Lett 12: 2019-22 (2002) BindingDB Entry DOI: 10.7270/Q237782T
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM14332 (2-{5-[amino(iminiumyl)methyl]-1H-indol-2-yl}-6-(cy...) Show SMILES NC(=[NH2+])c1ccc2[nH]c(cc2c1)-c1cccc(OC2CCCC2)c1[O-] Show InChI InChI=1S/C20H21N3O2/c21-20(22)12-8-9-16-13(10-12)11-17(23-16)15-6-3-7-18(19(15)24)25-14-4-1-2-5-14/h3,6-11,14,23-24H,1-2,4-5H2,(H3,21,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	DrugBank PC cid PC sid PDB UniChem Similars	Article PubMed	7.50E+3	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