BDBM50062019 4-[3-(3-Carbamimidoyl-phenyl)-4-methoxycarbonyl-butyl]-benzoic acid methyl ester::CHEMBL156043

SMILES: COC(=O)CC(CCc1ccc(cc1)C(=O)OC)c1cccc(c1)C(N)=N

InChI Key: InChIKey=YJHQJYCQSFPDGI-UHFFFAOYSA-N

Data: 3 KI

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 3 hits for monomerid = 50062019   

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
Trypsin-1 (Homo sapiens (Human))	BDBM50062019 (4-[3-(3-Carbamimidoyl-phenyl)-4-methoxycarbonyl-bu...) Show SMILES COC(=O)CC(CCc1ccc(cc1)C(=O)OC)c1cccc(c1)C(N)=N Show InChI InChI=1S/C21H24N2O4/c1-26-19(24)13-17(16-4-3-5-18(12-16)20(22)23)11-8-14-6-9-15(10-7-14)21(25)27-2/h3-7,9-10,12,17H,8,11,13H2,1-2H3,(H3,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	330	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description In vitro inhibition of trypsin				J Med Chem 41: 53-62 (1998) Article DOI: 10.1021/jm970485a BindingDB Entry DOI: 10.7270/Q2R49PW5
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50062019 (4-[3-(3-Carbamimidoyl-phenyl)-4-methoxycarbonyl-bu...) Show SMILES COC(=O)CC(CCc1ccc(cc1)C(=O)OC)c1cccc(c1)C(N)=N Show InChI InChI=1S/C21H24N2O4/c1-26-19(24)13-17(16-4-3-5-18(12-16)20(22)23)11-8-14-6-9-15(10-7-14)21(25)27-2/h3-7,9-10,12,17H,8,11,13H2,1-2H3,(H3,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL 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
DuPont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description In vitro inhibition of Coagulation factor X				J Med Chem 41: 53-62 (1998) Article DOI: 10.1021/jm970485a BindingDB Entry DOI: 10.7270/Q2R49PW5
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50062019 (4-[3-(3-Carbamimidoyl-phenyl)-4-methoxycarbonyl-bu...) Show SMILES COC(=O)CC(CCc1ccc(cc1)C(=O)OC)c1cccc(c1)C(N)=N Show InChI InChI=1S/C21H24N2O4/c1-26-19(24)13-17(16-4-3-5-18(12-16)20(22)23)11-8-14-6-9-15(10-7-14)21(25)27-2/h3-7,9-10,12,17H,8,11,13H2,1-2H3,(H3,22,23)	PDB UniProtKB/SwissProt 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
DuPont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description In vitro inhibition of thrombin				J Med Chem 41: 53-62 (1998) Article DOI: 10.1021/jm970485a BindingDB Entry DOI: 10.7270/Q2R49PW5
					More data for this Ligand-Target Pair