BDBM50388186 CHEMBL2057920

SMILES: CC(C)(C)c1ccc(cc1)C(=O)N[C@@H]1CCCN(C1)c1nc(Nc2ccc(cc2)C(=O)N2CCNCC2)c2nccn2n1

InChI Key: InChIKey=OMPKPNASJNVVGE-AREMUKBSSA-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 = 50388186   

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))	BDBM50388186 (CHEMBL2057920) Show SMILES CC(C)(C)c1ccc(cc1)C(=O)N[C@@H]1CCCN(C1)c1nc(Nc2ccc(cc2)C(=O)N2CCNCC2)c2nccn2n1 |r| Show InChI InChI=1S/C32H39N9O2/c1-32(2,3)24-10-6-22(7-11-24)29(42)36-26-5-4-17-40(21-26)31-37-27(28-34-16-20-41(28)38-31)35-25-12-8-23(9-13-25)30(43)39-18-14-33-15-19-39/h6-13,16,20,26,33H,4-5,14-15,17-19,21H2,1-3H3,(H,36,42)(H,35,37,38)/t26-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. Curated by ChEMBL					Assay Description Inhibition of human BTK by enzymatic assay				J Med Chem 55: 4539-50 (2012) Article DOI: 10.1021/jm300035p BindingDB Entry DOI: 10.7270/Q27H1KMF
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