BDBM50211568 CHEMBL395773::N-[1-{[(2-aminomethyl-5-chloro-benzylcarbamoyl)-methyl]-carbamoyl}-3-(1-oxy-pyridin-2-yl)-propyl]-oxalamic acid methyl ester

SMILES: COC(=O)C(=O)NC(CCc1cccc[n+]1[O-])C(=O)NCC(=O)NCc1cc(Cl)ccc1CN

InChI Key: InChIKey=JGOKMBUFCGMYLP-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 = 50211568   

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
Coagulation factor X (Homo sapiens (Human))	BDBM50211568 (CHEMBL395773 | N-[1-{[(2-aminomethyl-5-chloro-benz...) Show SMILES COC(=O)C(=O)NC(CCc1cccc[n+]1[O-])C(=O)NCC(=O)NCc1cc(Cl)ccc1CN |w:7.7| Show InChI InChI=1S/C22H26ClN5O6/c1-34-22(32)21(31)27-18(8-7-17-4-2-3-9-28(17)33)20(30)26-13-19(29)25-12-15-10-16(23)6-5-14(15)11-24/h2-6,9-10,18H,7-8,11-13,24H2,1H3,(H,25,29)(H,26,30)(H,27,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Curacyte Discovery GmbH Curated by ChEMBL					Assay Description Inhibition of factor 10a				Bioorg Med Chem Lett 17: 3322-9 (2007) Article DOI: 10.1016/j.bmcl.2007.03.105 BindingDB Entry DOI: 10.7270/Q2NG4Q9K
					More data for this Ligand-Target Pair
Urokinase-type plasminogen activator (Homo sapiens (Human))	BDBM50211568 (CHEMBL395773 | N-[1-{[(2-aminomethyl-5-chloro-benz...) Show SMILES COC(=O)C(=O)NC(CCc1cccc[n+]1[O-])C(=O)NCC(=O)NCc1cc(Cl)ccc1CN |w:7.7| Show InChI InChI=1S/C22H26ClN5O6/c1-34-22(32)21(31)27-18(8-7-17-4-2-3-9-28(17)33)20(30)26-13-19(29)25-12-15-10-16(23)6-5-14(15)11-24/h2-6,9-10,18H,7-8,11-13,24H2,1H3,(H,25,29)(H,26,30)(H,27,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Curacyte Discovery GmbH Curated by ChEMBL					Assay Description Inhibition of uPA				Bioorg Med Chem Lett 17: 3322-9 (2007) Article DOI: 10.1016/j.bmcl.2007.03.105 BindingDB Entry DOI: 10.7270/Q2NG4Q9K
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50211568 (CHEMBL395773 | N-[1-{[(2-aminomethyl-5-chloro-benz...) Show SMILES COC(=O)C(=O)NC(CCc1cccc[n+]1[O-])C(=O)NCC(=O)NCc1cc(Cl)ccc1CN |w:7.7| Show InChI InChI=1S/C22H26ClN5O6/c1-34-22(32)21(31)27-18(8-7-17-4-2-3-9-28(17)33)20(30)26-13-19(29)25-12-15-10-16(23)6-5-14(15)11-24/h2-6,9-10,18H,7-8,11-13,24H2,1H3,(H,25,29)(H,26,30)(H,27,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Curacyte Discovery GmbH Curated by ChEMBL					Assay Description Inhibition of thrombin				Bioorg Med Chem Lett 17: 3322-9 (2007) Article DOI: 10.1016/j.bmcl.2007.03.105 BindingDB Entry DOI: 10.7270/Q2NG4Q9K
					More data for this Ligand-Target Pair