BDBM208772 US9266876, 239

SMILES: C[C@@H]1CN(CCN1C(=O)Cn1nc(C)nc1C)c1sc(nc1-c1nc2cc(CCN)ccc2[nH]1)C(F)(F)F

InChI Key: InChIKey=RGCMDFOKPCNRJN-CYBMUJFWSA-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 = 208772   

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))	BDBM208772 (US9266876, 239) Show SMILES C[C@@H]1CN(CCN1C(=O)Cn1nc(C)nc1C)c1sc(nc1-c1nc2cc(CCN)ccc2[nH]1)C(F)(F)F Show InChI InChI=1S/C24H28F3N9OS/c1-13-11-34(8-9-35(13)19(37)12-36-15(3)29-14(2)33-36)22-20(32-23(38-22)24(25,26)27)21-30-17-5-4-16(6-7-28)10-18(17)31-21/h4-5,10,13H,6-9,11-12,28H2,1-3H3,(H,30,31)/t13-/m1/s1	UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.100	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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