BDBM50245636 CHEMBL4071818

SMILES: Cc1c(NC(=O)c2ccc(cc2)C(C)(C)C)cccc1-c1cc(Nc2ccc(C(=O)N3CCN(CC3)C(=O)OC(C)(C)C)c(NC(=O)C=C)c2)c(=O)n(C)c1

InChI Key: InChIKey=MMIJPXPCSOHADN-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 = 50245636   

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))	BDBM50245636 (CHEMBL4071818) Show SMILES Cc1c(NC(=O)c2ccc(cc2)C(C)(C)C)cccc1-c1cc(Nc2ccc(C(=O)N3CCN(CC3)C(=O)OC(C)(C)C)c(NC(=O)C=C)c2)c(=O)n(C)c1 Show InChI InChI=1S/C43H50N6O6/c1-10-37(50)45-35-25-31(18-19-33(35)39(52)48-20-22-49(23-21-48)41(54)55-43(6,7)8)44-36-24-29(26-47(9)40(36)53)32-12-11-13-34(27(32)2)46-38(51)28-14-16-30(17-15-28)42(3,4)5/h10-19,24-26,44H,1,20-23H2,2-9H3,(H,45,50)(H,46,51)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	68	n/a	n/a	n/a	n/a	n/a	n/a
University of Science and Technology of China Curated by ChEMBL					Assay Description Inhibition of full length recombinant human N-terminal His tagged BKT expressed in baculovirus infected Sf9 insect cells using poly (Glu,Tyr)4:1 as s...				Eur J Med Chem 131: 107-125 (2017) Article DOI: 10.1016/j.ejmech.2017.03.001 BindingDB Entry DOI: 10.7270/Q21V5HCK
					More data for this Ligand-Target Pair