BDBM50211560 CHEMBL231292::N-[(2-aminomethyl-5-chloro-benzylcarbamoyl)-methyl]-4-(1-oxy-pyridin-2-yl)-2-(propane-1-sulfonylamino)-butyramide

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

InChI Key: InChIKey=NVUICSDZEODCPP-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 = 50211560   

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))	BDBM50211560 (CHEMBL231292 | N-[(2-aminomethyl-5-chloro-benzylca...) Show SMILES CCCS(=O)(=O)NC(CCc1cccc[n+]1[O-])C(=O)NCC(=O)NCc1cc(Cl)ccc1CN |w:7.7| Show InChI InChI=1S/C22H30ClN5O5S/c1-2-11-34(32,33)27-20(9-8-19-5-3-4-10-28(19)31)22(30)26-15-21(29)25-14-17-12-18(23)7-6-16(17)13-24/h3-7,10,12,20,27H,2,8-9,11,13-15,24H2,1H3,(H,25,29)(H,26,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.40	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
Prothrombin (Homo sapiens (Human))	BDBM50211560 (CHEMBL231292 | N-[(2-aminomethyl-5-chloro-benzylca...) Show SMILES CCCS(=O)(=O)NC(CCc1cccc[n+]1[O-])C(=O)NCC(=O)NCc1cc(Cl)ccc1CN |w:7.7| Show InChI InChI=1S/C22H30ClN5O5S/c1-2-11-34(32,33)27-20(9-8-19-5-3-4-10-28(19)31)22(30)26-15-21(29)25-14-17-12-18(23)7-6-16(17)13-24/h3-7,10,12,20,27H,2,8-9,11,13-15,24H2,1H3,(H,25,29)(H,26,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.70E+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
Urokinase-type plasminogen activator (Homo sapiens (Human))	BDBM50211560 (CHEMBL231292 | N-[(2-aminomethyl-5-chloro-benzylca...) Show SMILES CCCS(=O)(=O)NC(CCc1cccc[n+]1[O-])C(=O)NCC(=O)NCc1cc(Cl)ccc1CN |w:7.7| Show InChI InChI=1S/C22H30ClN5O5S/c1-2-11-34(32,33)27-20(9-8-19-5-3-4-10-28(19)31)22(30)26-15-21(29)25-14-17-12-18(23)7-6-16(17)13-24/h3-7,10,12,20,27H,2,8-9,11,13-15,24H2,1H3,(H,25,29)(H,26,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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