BDBM14154 2-{5-[amino(iminiumyl)methyl]-6-chloro-1H-1,3-benzodiazol-2-yl}-6-(2-methylpropoxy)benzen-1-olate::APC-10972

SMILES: CC(C)COc1cccc(-c2nc3cc(Cl)c(cc3[nH]2)C(N)=[NH2+])c1[O-]

InChI Key: InChIKey=RTSLVPMQUZXPBZ-UHFFFAOYSA-N

Data: 18 KI

PDB links: 1 PDB ID matches this monomer. 2 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 18 hits for monomerid = 14154   

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))	BDBM14154 (2-{5-[amino(iminiumyl)methyl]-6-chloro-1H-1,3-benz...) Show SMILES CC(C)COc1cccc(-c2nc3cc(Cl)c(cc3[nH]2)C(N)=[NH2+])c1[O-] Show InChI InChI=1S/C18H19ClN4O2/c1-9(2)8-25-15-5-3-4-10(16(15)24)18-22-13-6-11(17(20)21)12(19)7-14(13)23-18/h3-7,9,24H,8H2,1-2H3,(H3,20,21)(H,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	490	-8.52	n/a	n/a	n/a	n/a	n/a	8.2	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) Article DOI: 10.1016/S1074-5521(01)00084-9 BindingDB Entry DOI: 10.7270/Q2S75DKN
					More data for this Ligand-Target Pair
Trypsin (Bos taurus (bovine))	BDBM14154 (2-{5-[amino(iminiumyl)methyl]-6-chloro-1H-1,3-benz...) Show SMILES CC(C)COc1cccc(-c2nc3cc(Cl)c(cc3[nH]2)C(N)=[NH2+])c1[O-] Show InChI InChI=1S/C18H19ClN4O2/c1-9(2)8-25-15-5-3-4-10(16(15)24)18-22-13-6-11(17(20)21)12(19)7-14(13)23-18/h3-7,9,24H,8H2,1-2H3,(H3,20,21)(H,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	650	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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) Article DOI: 10.1016/S1074-5521(01)00084-9 BindingDB Entry DOI: 10.7270/Q2S75DKN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Urokinase-type plasminogen activator (Homo sapiens (Human))	BDBM14154 (2-{5-[amino(iminiumyl)methyl]-6-chloro-1H-1,3-benz...) Show SMILES CC(C)COc1cccc(-c2nc3cc(Cl)c(cc3[nH]2)C(N)=[NH2+])c1[O-] Show InChI InChI=1S/C18H19ClN4O2/c1-9(2)8-25-15-5-3-4-10(16(15)24)18-22-13-6-11(17(20)21)12(19)7-14(13)23-18/h3-7,9,24H,8H2,1-2H3,(H3,20,21)(H,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	1.80E+3	-7.75	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) Article DOI: 10.1016/S1074-5521(01)00084-9 BindingDB Entry DOI: 10.7270/Q2S75DKN
					More data for this Ligand-Target Pair
Plasminogen (Homo sapiens (Human))	BDBM14154 (2-{5-[amino(iminiumyl)methyl]-6-chloro-1H-1,3-benz...) Show SMILES CC(C)COc1cccc(-c2nc3cc(Cl)c(cc3[nH]2)C(N)=[NH2+])c1[O-] Show InChI InChI=1S/C18H19ClN4O2/c1-9(2)8-25-15-5-3-4-10(16(15)24)18-22-13-6-11(17(20)21)12(19)7-14(13)23-18/h3-7,9,24H,8H2,1-2H3,(H3,20,21)(H,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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) Article DOI: 10.1016/S1074-5521(01)00084-9 BindingDB Entry DOI: 10.7270/Q2S75DKN
					More data for this Ligand-Target Pair
Plasminogen (Homo sapiens (Human))	BDBM14154 (2-{5-[amino(iminiumyl)methyl]-6-chloro-1H-1,3-benz...) Show SMILES CC(C)COc1cccc(-c2nc3cc(Cl)c(cc3[nH]2)C(N)=[NH2+])c1[O-] Show InChI InChI=1S/C18H19ClN4O2/c1-9(2)8-25-15-5-3-4-10(16(15)24)18-22-13-6-11(17(20)21)12(19)7-14(13)23-18/h3-7,9,24H,8H2,1-2H3,(H3,20,21)(H,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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) Article DOI: 10.1016/S1074-5521(01)00084-9 BindingDB Entry DOI: 10.7270/Q2S75DKN
					More data for this Ligand-Target Pair
Plasminogen (Homo sapiens (Human))	BDBM14154 (2-{5-[amino(iminiumyl)methyl]-6-chloro-1H-1,3-benz...) Show SMILES CC(C)COc1cccc(-c2nc3cc(Cl)c(cc3[nH]2)C(N)=[NH2+])c1[O-] Show InChI InChI=1S/C18H19ClN4O2/c1-9(2)8-25-15-5-3-4-10(16(15)24)18-22-13-6-11(17(20)21)12(19)7-14(13)23-18/h3-7,9,24H,8H2,1-2H3,(H3,20,21)(H,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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) Article DOI: 10.1016/S1074-5521(01)00084-9 BindingDB Entry DOI: 10.7270/Q2S75DKN
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM14154 (2-{5-[amino(iminiumyl)methyl]-6-chloro-1H-1,3-benz...) Show SMILES CC(C)COc1cccc(-c2nc3cc(Cl)c(cc3[nH]2)C(N)=[NH2+])c1[O-] Show InChI InChI=1S/C18H19ClN4O2/c1-9(2)8-25-15-5-3-4-10(16(15)24)18-22-13-6-11(17(20)21)12(19)7-14(13)23-18/h3-7,9,24H,8H2,1-2H3,(H3,20,21)(H,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	4.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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) Article DOI: 10.1016/S1074-5521(01)00084-9 BindingDB Entry DOI: 10.7270/Q2S75DKN
					More data for this Ligand-Target Pair
Urokinase-type plasminogen activator (Homo sapiens (Human))	BDBM14154 (2-{5-[amino(iminiumyl)methyl]-6-chloro-1H-1,3-benz...) Show SMILES CC(C)COc1cccc(-c2nc3cc(Cl)c(cc3[nH]2)C(N)=[NH2+])c1[O-] Show InChI InChI=1S/C18H19ClN4O2/c1-9(2)8-25-15-5-3-4-10(16(15)24)18-22-13-6-11(17(20)21)12(19)7-14(13)23-18/h3-7,9,24H,8H2,1-2H3,(H3,20,21)(H,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia 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
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) Article DOI: 10.1016/S1074-5521(01)00084-9 BindingDB Entry DOI: 10.7270/Q2S75DKN
					More data for this Ligand-Target Pair
Trypsin (Bos taurus (bovine))	BDBM14154 (2-{5-[amino(iminiumyl)methyl]-6-chloro-1H-1,3-benz...) Show SMILES CC(C)COc1cccc(-c2nc3cc(Cl)c(cc3[nH]2)C(N)=[NH2+])c1[O-] Show InChI InChI=1S/C18H19ClN4O2/c1-9(2)8-25-15-5-3-4-10(16(15)24)18-22-13-6-11(17(20)21)12(19)7-14(13)23-18/h3-7,9,24H,8H2,1-2H3,(H3,20,21)(H,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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) Article DOI: 10.1016/S1074-5521(01)00084-9 BindingDB Entry DOI: 10.7270/Q2S75DKN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tissue-type plasminogen activator (Homo sapiens (Human))	BDBM14154 (2-{5-[amino(iminiumyl)methyl]-6-chloro-1H-1,3-benz...) Show SMILES CC(C)COc1cccc(-c2nc3cc(Cl)c(cc3[nH]2)C(N)=[NH2+])c1[O-] Show InChI InChI=1S/C18H19ClN4O2/c1-9(2)8-25-15-5-3-4-10(16(15)24)18-22-13-6-11(17(20)21)12(19)7-14(13)23-18/h3-7,9,24H,8H2,1-2H3,(H3,20,21)(H,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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) Article DOI: 10.1016/S1074-5521(01)00084-9 BindingDB Entry DOI: 10.7270/Q2S75DKN
					More data for this Ligand-Target Pair
Trypsin (Bos taurus (bovine))	BDBM14154 (2-{5-[amino(iminiumyl)methyl]-6-chloro-1H-1,3-benz...) Show SMILES CC(C)COc1cccc(-c2nc3cc(Cl)c(cc3[nH]2)C(N)=[NH2+])c1[O-] Show InChI InChI=1S/C18H19ClN4O2/c1-9(2)8-25-15-5-3-4-10(16(15)24)18-22-13-6-11(17(20)21)12(19)7-14(13)23-18/h3-7,9,24H,8H2,1-2H3,(H3,20,21)(H,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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) Article DOI: 10.1016/S1074-5521(01)00084-9 BindingDB Entry DOI: 10.7270/Q2S75DKN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tissue-type plasminogen activator (Homo sapiens (Human))	BDBM14154 (2-{5-[amino(iminiumyl)methyl]-6-chloro-1H-1,3-benz...) Show SMILES CC(C)COc1cccc(-c2nc3cc(Cl)c(cc3[nH]2)C(N)=[NH2+])c1[O-] Show InChI InChI=1S/C18H19ClN4O2/c1-9(2)8-25-15-5-3-4-10(16(15)24)18-22-13-6-11(17(20)21)12(19)7-14(13)23-18/h3-7,9,24H,8H2,1-2H3,(H3,20,21)(H,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	3.10E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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) Article DOI: 10.1016/S1074-5521(01)00084-9 BindingDB Entry DOI: 10.7270/Q2S75DKN
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM14154 (2-{5-[amino(iminiumyl)methyl]-6-chloro-1H-1,3-benz...) Show SMILES CC(C)COc1cccc(-c2nc3cc(Cl)c(cc3[nH]2)C(N)=[NH2+])c1[O-] Show InChI InChI=1S/C18H19ClN4O2/c1-9(2)8-25-15-5-3-4-10(16(15)24)18-22-13-6-11(17(20)21)12(19)7-14(13)23-18/h3-7,9,24H,8H2,1-2H3,(H3,20,21)(H,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	3.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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) Article DOI: 10.1016/S1074-5521(01)00084-9 BindingDB Entry DOI: 10.7270/Q2S75DKN
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM14154 (2-{5-[amino(iminiumyl)methyl]-6-chloro-1H-1,3-benz...) Show SMILES CC(C)COc1cccc(-c2nc3cc(Cl)c(cc3[nH]2)C(N)=[NH2+])c1[O-] Show InChI InChI=1S/C18H19ClN4O2/c1-9(2)8-25-15-5-3-4-10(16(15)24)18-22-13-6-11(17(20)21)12(19)7-14(13)23-18/h3-7,9,24H,8H2,1-2H3,(H3,20,21)(H,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	5.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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) Article DOI: 10.1016/S1074-5521(01)00084-9 BindingDB Entry DOI: 10.7270/Q2S75DKN
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM14154 (2-{5-[amino(iminiumyl)methyl]-6-chloro-1H-1,3-benz...) Show SMILES CC(C)COc1cccc(-c2nc3cc(Cl)c(cc3[nH]2)C(N)=[NH2+])c1[O-] Show InChI InChI=1S/C18H19ClN4O2/c1-9(2)8-25-15-5-3-4-10(16(15)24)18-22-13-6-11(17(20)21)12(19)7-14(13)23-18/h3-7,9,24H,8H2,1-2H3,(H3,20,21)(H,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	5.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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) Article DOI: 10.1016/S1074-5521(01)00084-9 BindingDB Entry DOI: 10.7270/Q2S75DKN
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM14154 (2-{5-[amino(iminiumyl)methyl]-6-chloro-1H-1,3-benz...) Show SMILES CC(C)COc1cccc(-c2nc3cc(Cl)c(cc3[nH]2)C(N)=[NH2+])c1[O-] Show InChI InChI=1S/C18H19ClN4O2/c1-9(2)8-25-15-5-3-4-10(16(15)24)18-22-13-6-11(17(20)21)12(19)7-14(13)23-18/h3-7,9,24H,8H2,1-2H3,(H3,20,21)(H,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	9.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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) Article DOI: 10.1016/S1074-5521(01)00084-9 BindingDB Entry DOI: 10.7270/Q2S75DKN
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM14154 (2-{5-[amino(iminiumyl)methyl]-6-chloro-1H-1,3-benz...) Show SMILES CC(C)COc1cccc(-c2nc3cc(Cl)c(cc3[nH]2)C(N)=[NH2+])c1[O-] Show InChI InChI=1S/C18H19ClN4O2/c1-9(2)8-25-15-5-3-4-10(16(15)24)18-22-13-6-11(17(20)21)12(19)7-14(13)23-18/h3-7,9,24H,8H2,1-2H3,(H3,20,21)(H,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	1.60E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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) Article DOI: 10.1016/S1074-5521(01)00084-9 BindingDB Entry DOI: 10.7270/Q2S75DKN
					More data for this Ligand-Target Pair
Tissue-type plasminogen activator (Homo sapiens (Human))	BDBM14154 (2-{5-[amino(iminiumyl)methyl]-6-chloro-1H-1,3-benz...) Show SMILES CC(C)COc1cccc(-c2nc3cc(Cl)c(cc3[nH]2)C(N)=[NH2+])c1[O-] Show InChI InChI=1S/C18H19ClN4O2/c1-9(2)8-25-15-5-3-4-10(16(15)24)18-22-13-6-11(17(20)21)12(19)7-14(13)23-18/h3-7,9,24H,8H2,1-2H3,(H3,20,21)(H,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	1.60E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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) Article DOI: 10.1016/S1074-5521(01)00084-9 BindingDB Entry DOI: 10.7270/Q2S75DKN
					More data for this Ligand-Target Pair