BDBM50211583 CHEMBL230025::N-[1-{[(2-aminomethyl-5-chloro-benzylcarbamoyl)-methyl]-carbamoyl}-3-(1-oxy-pyridin-2-yl)-propyl]-malonamic acid

SMILES: NCc1ccc(Cl)cc1CNC(=O)CNC(=O)C(CCc1cccc[n+]1[O-])NC(=O)CC(O)=O

InChI Key: InChIKey=XKFVFLKMBNKEGH-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 = 50211583   

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))	BDBM50211583 (CHEMBL230025 | N-[1-{[(2-aminomethyl-5-chloro-benz...) Show SMILES NCc1ccc(Cl)cc1CNC(=O)CNC(=O)C(CCc1cccc[n+]1[O-])NC(=O)CC(O)=O |w:17.18| Show InChI InChI=1S/C22H26ClN5O6/c23-16-5-4-14(11-24)15(9-16)12-25-20(30)13-26-22(33)18(27-19(29)10-21(31)32)7-6-17-3-1-2-8-28(17)34/h1-5,8-9,18H,6-7,10-13,24H2,(H,25,30)(H,26,33)(H,27,29)(H,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	65	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))	BDBM50211583 (CHEMBL230025 | N-[1-{[(2-aminomethyl-5-chloro-benz...) Show SMILES NCc1ccc(Cl)cc1CNC(=O)CNC(=O)C(CCc1cccc[n+]1[O-])NC(=O)CC(O)=O |w:17.18| Show InChI InChI=1S/C22H26ClN5O6/c23-16-5-4-14(11-24)15(9-16)12-25-20(30)13-26-22(33)18(27-19(29)10-21(31)32)7-6-17-3-1-2-8-28(17)34/h1-5,8-9,18H,6-7,10-13,24H2,(H,25,30)(H,26,33)(H,27,29)(H,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents 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))	BDBM50211583 (CHEMBL230025 | N-[1-{[(2-aminomethyl-5-chloro-benz...) Show SMILES NCc1ccc(Cl)cc1CNC(=O)CNC(=O)C(CCc1cccc[n+]1[O-])NC(=O)CC(O)=O |w:17.18| Show InChI InChI=1S/C22H26ClN5O6/c23-16-5-4-14(11-24)15(9-16)12-25-20(30)13-26-22(33)18(27-19(29)10-21(31)32)7-6-17-3-1-2-8-28(17)34/h1-5,8-9,18H,6-7,10-13,24H2,(H,25,30)(H,26,33)(H,27,29)(H,31,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	1.40E+5	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