BDBM208705 US9266876, 172

SMILES: C[C@@H]1CN(CCN1C(=O)Cn1cnc2ccccc12)c1sc(nc1-c1nc2ccccc2[nH]1)C(F)(F)F

InChI Key: InChIKey=AGOCCPOUVUKXBW-OAHLLOKOSA-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 = 208705   

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
CXCR3A / G protein (Galpha(16)) (Homo sapiens (Human))	BDBM208705 (US9266876, 172) Show SMILES C[C@@H]1CN(CCN1C(=O)Cn1cnc2ccccc12)c1sc(nc1-c1nc2ccccc2[nH]1)C(F)(F)F Show InChI InChI=1S/C25H22F3N7OS/c1-15-12-33(10-11-35(15)20(36)13-34-14-29-18-8-4-5-9-19(18)34)23-21(32-24(37-23)25(26,27)28)22-30-16-6-2-3-7-17(16)31-22/h2-9,14-15H,10-13H2,1H3,(H,30,31)/t15-/m1/s1	UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.4	37
Actelion Pharmaceuticals Ltd. US Patent					Assay Description The bioactivity of compounds is tested in a fluorometric imaging plate reader (FLIPR: Molecular Devices) using engineered CHO-K1 cells expressing the...				US Patent US9266876 (2016) BindingDB Entry DOI: 10.7270/Q2DB80NB
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