BDBM50446330 CHEMBL3109571

SMILES: CCNC(=O)[C@@H]1CC[C@@H]2[C@H](C[C@@H]3[C@@H]([C@@H](C)OC3=O)[C@H]2\C=C\c2ccc(cn2)-c2cccc(c2)C(F)(F)F)C1

InChI Key: InChIKey=HMPPWGLIUDIDRB-XXYHCQHDSA-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 = 50446330   

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))	BDBM50446330 (CHEMBL3109571) Show SMILES CCNC(=O)[C@@H]1CC[C@@H]2[C@H](C[C@@H]3[C@@H]([C@@H](C)OC3=O)[C@H]2\C=C\c2ccc(cn2)-c2cccc(c2)C(F)(F)F)C1 |r| Show InChI InChI=1S/C30H33F3N2O3/c1-3-34-28(36)19-8-11-24-21(13-19)15-26-27(17(2)38-29(26)37)25(24)12-10-23-9-7-20(16-35-23)18-5-4-6-22(14-18)30(31,32)33/h4-7,9-10,12,14,16-17,19,21,24-27H,3,8,11,13,15H2,1-2H3,(H,34,36)/b12-10+/t17-,19-,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	35	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