BDBM50105336 (2S,5S)-2-[(S)-(3,4-Dichloro-phenyl)-hydroxy-methyl]-5-methyl-pyrrolidine-1-carboxylic acid {4-[(2,2-dimethyl-propionylamino)-methyl]-phenyl}-amide::CHEMBL91987

SMILES: C[C@H]1CC[C@@H]([C@@H](O)c2ccc(Cl)c(Cl)c2)N1C(=O)Nc1ccc(CNC(=O)C(C)(C)C)cc1

InChI Key: InChIKey=AKKRATICIYCKJJ-RXYZOABWSA-N

Data: 1 IC50

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 = 50105336   

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
Proteinase-activated receptor 1 (Homo sapiens (Human))	BDBM50105336 ((2S,5S)-2-[(S)-(3,4-Dichloro-phenyl)-hydroxy-methy...) Show SMILES C[C@H]1CC[C@@H]([C@@H](O)c2ccc(Cl)c(Cl)c2)N1C(=O)Nc1ccc(CNC(=O)C(C)(C)C)cc1 Show InChI InChI=1S/C25H31Cl2N3O3/c1-15-5-12-21(22(31)17-8-11-19(26)20(27)13-17)30(15)24(33)29-18-9-6-16(7-10-18)14-28-23(32)25(2,3)4/h6-11,13,15,21-22,31H,5,12,14H2,1-4H3,(H,28,32)(H,29,33)/t15-,21-,22-/m0/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity of the compound against platelet thrombin receptor				Bioorg Med Chem Lett 11: 2691-6 (2001) BindingDB Entry DOI: 10.7270/Q26Q1WJ1
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