BDBM50150296 (S)-1-((R)-2-Hydroxy-3-methyl-butyryl)-pyrrolidine-2-carboxylic acid 2-aminomethyl-5-chloro-benzylamide::CHEMBL360269

SMILES: CC(C)[C@@H](O)C(=O)N1CCC[C@H]1C(=O)NCc1cc(Cl)ccc1CN

InChI Key: InChIKey=JKXPHBIZCGBSAR-JKSUJKDBSA-N

Data: 1 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 1 hit for monomerid = 50150296   

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
Prothrombin (Homo sapiens (Human))	BDBM50150296 ((S)-1-((R)-2-Hydroxy-3-methyl-butyryl)-pyrrolidine...) Show SMILES CC(C)[C@@H](O)C(=O)N1CCC[C@H]1C(=O)NCc1cc(Cl)ccc1CN Show InChI InChI=1S/C18H26ClN3O3/c1-11(2)16(23)18(25)22-7-3-4-15(22)17(24)21-10-13-8-14(19)6-5-12(13)9-20/h5-6,8,11,15-16,23H,3-4,7,9-10,20H2,1-2H3,(H,21,24)/t15-,16+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	5.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition constant against human Thrombin				Bioorg Med Chem Lett 14: 4161-4 (2004) Article DOI: 10.1016/j.bmcl.2004.06.030 BindingDB Entry DOI: 10.7270/Q2833RH3
					More data for this Ligand-Target Pair