BDBM378843 US10266528, Compound 18

SMILES: CC1(CC1)c1noc(n1)C(=O)NCc1ccc(cc1C(F)(F)F)-c1ccnc2[nH]c(=O)[nH]c12

InChI Key: InChIKey=ITGWLRPJMKSOMS-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 = 378843   

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
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM378843 (US10266528, Compound 18) Show SMILES CC1(CC1)c1noc(n1)C(=O)NCc1ccc(cc1C(F)(F)F)-c1ccnc2[nH]c(=O)[nH]c12 Show InChI InChI=1S/C21H17F3N6O3/c1-20(5-6-20)18-29-17(33-30-18)16(31)26-9-11-3-2-10(8-13(11)21(22,23)24)12-4-7-25-15-14(12)27-19(32)28-15/h2-4,7-8H,5-6,9H2,1H3,(H,26,31)(H2,25,27,28,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description Briefly, 2.5× stocks of full-length human BTK (08-080) from CarnaBio USA, Inc., Natick, Mass., 1.6×ATP and appropriate kinKDR peptide substrate (FITC...				US Patent US10266528 (2019) BindingDB Entry DOI: 10.7270/Q28S4S6R
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