BDBM50412589 CHEMBL465637

SMILES: CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCN(C(CO)C1)c1ccc(cn1)C(F)(F)F)C(=O)C2

InChI Key: InChIKey=QUVULUYPTZVMEY-RBKVJPRLSA-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 = 50412589   

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
chemokine (C-X-C motif) receptor 3 (Homo sapiens (Human))	BDBM50412589 (CHEMBL465637) Show SMILES CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCN(C(CO)C1)c1ccc(cn1)C(F)(F)F)C(=O)C2 |r,THB:30:29:5.4:1| Show InChI InChI=1S/C21H28F3N3O4S/c1-19(2)14-5-6-20(19,17(29)9-14)13-32(30,31)26-7-8-27(16(11-26)12-28)18-4-3-15(10-25-18)21(22,23)24/h3-4,10,14,16,28H,5-9,11-13H2,1-2H3/t14-,16?,20-/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	398	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human recombinant CXCR3 receptor expressed in CHO-K1 cells assessed as human IP10-induced calcium flux by FLIPR assay				Bioorg Med Chem Lett 19: 114-8 (2008) Article DOI: 10.1016/j.bmcl.2008.11.008 BindingDB Entry DOI: 10.7270/Q29Z94R0
					More data for this Ligand-Target Pair