BDBM13939 2-(2-HYDROXY-5-METHOXY-PHENYL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE::APC-6669::{amino[2-(2-hydroxy-5-methoxyphenyl)-1H-1,3-benzodiazol-5-yl]methylidene}azanium

SMILES: COc1ccc(O)c(c1)-c1nc2ccc(cc2[nH]1)C(N)=[NH2+]

InChI Key: InChIKey=ZFCKHJJALHETHG-UHFFFAOYSA-O

Data: 9 KI

PDB links: 2 PDB IDs match this monomer. 3 PDB IDs contain this monomer as substructures. 3 PDB IDs contain inhibitors having a similarity of 90% to this monomer.

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 13939   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Urokinase-type plasminogen activator (Homo sapiens (Human))	BDBM13939 (2-(2-HYDROXY-5-METHOXY-PHENYL)-1H-BENZOIMIDAZOLE-5...) Show SMILES COc1ccc(O)c(c1)-c1nc2ccc(cc2[nH]1)C(N)=[NH2+] Show InChI InChI=1S/C15H14N4O2/c1-21-9-3-5-13(20)10(7-9)15-18-11-4-2-8(14(16)17)6-12(11)19-15/h2-7,20H,1H3,(H3,16,17)(H,18,19)/p+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	1.10E+3	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)
Trypsin (Bos taurus (bovine))	BDBM13939 (2-(2-HYDROXY-5-METHOXY-PHENYL)-1H-BENZOIMIDAZOLE-5...) Show SMILES COc1ccc(O)c(c1)-c1nc2ccc(cc2[nH]1)C(N)=[NH2+] Show InChI InChI=1S/C15H14N4O2/c1-21-9-3-5-13(20)10(7-9)15-18-11-4-2-8(14(16)17)6-12(11)19-15/h2-7,20H,1H3,(H3,16,17)(H,18,19)/p+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	1.20E+3	-7.99	n/a	n/a	n/a	n/a	n/a	7.72	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)
Trypsin (Bos taurus (bovine))	BDBM13939 (2-(2-HYDROXY-5-METHOXY-PHENYL)-1H-BENZOIMIDAZOLE-5...) Show SMILES COc1ccc(O)c(c1)-c1nc2ccc(cc2[nH]1)C(N)=[NH2+] Show InChI InChI=1S/C15H14N4O2/c1-21-9-3-5-13(20)10(7-9)15-18-11-4-2-8(14(16)17)6-12(11)19-15/h2-7,20H,1H3,(H3,16,17)(H,18,19)/p+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	2.50E+3	-7.56	n/a	n/a	n/a	n/a	n/a	7.5	22
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)
Coagulation factor X (Homo sapiens (Human))	BDBM13939 (2-(2-HYDROXY-5-METHOXY-PHENYL)-1H-BENZOIMIDAZOLE-5...) Show SMILES COc1ccc(O)c(c1)-c1nc2ccc(cc2[nH]1)C(N)=[NH2+] Show InChI InChI=1S/C15H14N4O2/c1-21-9-3-5-13(20)10(7-9)15-18-11-4-2-8(14(16)17)6-12(11)19-15/h2-7,20H,1H3,(H3,16,17)(H,18,19)/p+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	4.60E+3	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))	BDBM13939 (2-(2-HYDROXY-5-METHOXY-PHENYL)-1H-BENZOIMIDAZOLE-5...) Show SMILES COc1ccc(O)c(c1)-c1nc2ccc(cc2[nH]1)C(N)=[NH2+] Show InChI InChI=1S/C15H14N4O2/c1-21-9-3-5-13(20)10(7-9)15-18-11-4-2-8(14(16)17)6-12(11)19-15/h2-7,20H,1H3,(H3,16,17)(H,18,19)/p+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	6.00E+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				3D Structure (crystal)
Trypsin-1 (Homo sapiens (Human))	BDBM13939 (2-(2-HYDROXY-5-METHOXY-PHENYL)-1H-BENZOIMIDAZOLE-5...) Show SMILES COc1ccc(O)c(c1)-c1nc2ccc(cc2[nH]1)C(N)=[NH2+] Show InChI InChI=1S/C15H14N4O2/c1-21-9-3-5-13(20)10(7-9)15-18-11-4-2-8(14(16)17)6-12(11)19-15/h2-7,20H,1H3,(H3,16,17)(H,18,19)/p+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	6.50E+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
Prothrombin (Homo sapiens (Human))	BDBM13939 (2-(2-HYDROXY-5-METHOXY-PHENYL)-1H-BENZOIMIDAZOLE-5...) Show SMILES COc1ccc(O)c(c1)-c1nc2ccc(cc2[nH]1)C(N)=[NH2+] Show InChI InChI=1S/C15H14N4O2/c1-21-9-3-5-13(20)10(7-9)15-18-11-4-2-8(14(16)17)6-12(11)19-15/h2-7,20H,1H3,(H3,16,17)(H,18,19)/p+1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	6.60E+3	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
Coagulation factor X (Homo sapiens (Human))	BDBM13939 (2-(2-HYDROXY-5-METHOXY-PHENYL)-1H-BENZOIMIDAZOLE-5...) Show SMILES COc1ccc(O)c(c1)-c1nc2ccc(cc2[nH]1)C(N)=[NH2+] Show InChI InChI=1S/C15H14N4O2/c1-21-9-3-5-13(20)10(7-9)15-18-11-4-2-8(14(16)17)6-12(11)19-15/h2-7,20H,1H3,(H3,16,17)(H,18,19)/p+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	8.00E+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))	BDBM13939 (2-(2-HYDROXY-5-METHOXY-PHENYL)-1H-BENZOIMIDAZOLE-5...) Show SMILES COc1ccc(O)c(c1)-c1nc2ccc(cc2[nH]1)C(N)=[NH2+] Show InChI InChI=1S/C15H14N4O2/c1-21-9-3-5-13(20)10(7-9)15-18-11-4-2-8(14(16)17)6-12(11)19-15/h2-7,20H,1H3,(H3,16,17)(H,18,19)/p+1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	4.10E+4	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