BDBM50211576 CHEMBL228341::[(R)-1-[(S)-2-(2-aminomethyl-5-chloro-benzylcarbamoyl)-pyrrolidine-1-carbonyl]-3-(1-oxy-pyridin-2-yl)-propylamino]-acetic acid hexyl ester

SMILES: CCCCCCOC(=O)CN[C@H](CCc1cccc[n+]1[O-])C(=O)N1CCC[C@H]1C(=O)NCc1cc(Cl)ccc1CN

InChI Key: InChIKey=PSTVIFICYNSMMG-SXOMAYOGSA-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 = 50211576   

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))	BDBM50211576 (CHEMBL228341 | [(R)-1-[(S)-2-(2-aminomethyl-5-chlo...) Show SMILES CCCCCCOC(=O)CN[C@H](CCc1cccc[n+]1[O-])C(=O)N1CCC[C@H]1C(=O)NCc1cc(Cl)ccc1CN Show InChI InChI=1S/C30H42ClN5O5/c1-2-3-4-7-17-41-28(37)21-33-26(14-13-25-9-5-6-16-36(25)40)30(39)35-15-8-10-27(35)29(38)34-20-23-18-24(31)12-11-22(23)19-32/h5-6,9,11-12,16,18,26-27,33H,2-4,7-8,10,13-15,17,19-21,32H2,1H3,(H,34,38)/t26-,27+/m1/s1	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	0.920	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))	BDBM50211576 (CHEMBL228341 | [(R)-1-[(S)-2-(2-aminomethyl-5-chlo...) Show SMILES CCCCCCOC(=O)CN[C@H](CCc1cccc[n+]1[O-])C(=O)N1CCC[C@H]1C(=O)NCc1cc(Cl)ccc1CN Show InChI InChI=1S/C30H42ClN5O5/c1-2-3-4-7-17-41-28(37)21-33-26(14-13-25-9-5-6-16-36(25)40)30(39)35-15-8-10-27(35)29(38)34-20-23-18-24(31)12-11-22(23)19-32/h5-6,9,11-12,16,18,26-27,33H,2-4,7-8,10,13-15,17,19-21,32H2,1H3,(H,34,38)/t26-,27+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	7.80	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))	BDBM50211576 (CHEMBL228341 | [(R)-1-[(S)-2-(2-aminomethyl-5-chlo...) Show SMILES CCCCCCOC(=O)CN[C@H](CCc1cccc[n+]1[O-])C(=O)N1CCC[C@H]1C(=O)NCc1cc(Cl)ccc1CN Show InChI InChI=1S/C30H42ClN5O5/c1-2-3-4-7-17-41-28(37)21-33-26(14-13-25-9-5-6-16-36(25)40)30(39)35-15-8-10-27(35)29(38)34-20-23-18-24(31)12-11-22(23)19-32/h5-6,9,11-12,16,18,26-27,33H,2-4,7-8,10,13-15,17,19-21,32H2,1H3,(H,34,38)/t26-,27+/m1/s1	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