BDBM50150290 (S)-1-((S)-2-Hydroxy-2-phenyl-propionyl)-pyrrolidine-2-carboxylic acid 2-aminomethyl-5-chloro-benzylamide::CHEMBL362206

SMILES: C[C@@](O)(C(=O)N1CCC[C@H]1C(=O)NCc1cc(Cl)ccc1CN)c1ccccc1

InChI Key: InChIKey=MKJSCMIYPOCHPE-UGKGYDQZSA-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 = 50150290   

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))	BDBM50150290 ((S)-1-((S)-2-Hydroxy-2-phenyl-propionyl)-pyrrolidi...) Show SMILES C[C@@](O)(C(=O)N1CCC[C@H]1C(=O)NCc1cc(Cl)ccc1CN)c1ccccc1 Show InChI InChI=1S/C22H26ClN3O3/c1-22(29,17-6-3-2-4-7-17)21(28)26-11-5-8-19(26)20(27)25-14-16-12-18(23)10-9-15(16)13-24/h2-4,6-7,9-10,12,19,29H,5,8,11,13-14,24H2,1H3,(H,25,27)/t19-,22-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.70	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