BDBM50446334 CHEMBL3109588

SMILES: C[C@H]1OC(=O)[C@@H]2C[C@@H]3C[C@H](CNS(C)(=O)=O)CC[C@H]3[C@H](\C=C\c3ccc(cn3)-c3cccc(F)c3)[C@H]12

InChI Key: InChIKey=PBDJEIKRZRYJAA-NDDAKBLDSA-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 = 50446334   

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))	BDBM50446334 (CHEMBL3109588) Show SMILES C[C@H]1OC(=O)[C@@H]2C[C@@H]3C[C@H](CNS(C)(=O)=O)CC[C@H]3[C@H](\C=C\c3ccc(cn3)-c3cccc(F)c3)[C@H]12 |r| Show InChI InChI=1S/C28H33FN2O4S/c1-17-27-25(11-9-23-8-7-20(16-30-23)19-4-3-5-22(29)13-19)24-10-6-18(15-31-36(2,33)34)12-21(24)14-26(27)28(32)35-17/h3-5,7-9,11,13,16-18,21,24-27,31H,6,10,12,14-15H2,1-2H3/b11-9+/t17-,18-,21+,24-,25+,26-,27+/m1/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]haTRAP from PAR-1 isolated from human platelets by liquid scintillation counting analysis				ACS Med Chem Lett 5: 183-7 (2014) Article DOI: 10.1021/ml400452v BindingDB Entry DOI: 10.7270/Q2V40WPG
					More data for this Ligand-Target Pair