BDBM466310 US10799494, Compound CK-3-22

SMILES: Cc1c([nH]c2ccccc2c1=O)-c1ccc(Oc2ccc(OC(F)(F)F)cc2)nc1

InChI Key: InChIKey=NMHZECJOVJTWIT-UHFFFAOYSA-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 = 466310   

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
Probable integral membrane cytochrome D ubiquinol oxidase (Subunit II) CydB (Cytochrome BD-I oxidase subunit II) ()	BDBM466310 (US10799494, Compound CK-3-22) Show SMILES Cc1c([nH]c2ccccc2c1=O)-c1ccc(Oc2ccc(OC(F)(F)F)cc2)nc1 Show InChI InChI=1S/C22H15F3N2O3/c1-13-20(27-18-5-3-2-4-17(18)21(13)28)14-6-11-19(26-12-14)29-15-7-9-16(10-8-15)30-22(23,24)25/h2-12H,1H3,(H,27,28)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
TBA US Patent					Assay Description The Mtb cytochrome bd inhibition assay described in accompanying Example section, or elsewhere in the literature, may be used to measure the pharmaco...				US Patent US10799494 (2020)
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