BDBM50123463 CHEMBL3621497

SMILES: COc1cccc(c1)-c1ccc(C(N)=O)c2[nH]c3cc(ccc3c12)C(=O)N1CCN(C)CC1

InChI Key: InChIKey=LDTJXMZCPRCCMG-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 = 50123463   

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))	BDBM50123463 (CHEMBL3621497) Show SMILES COc1cccc(c1)-c1ccc(C(N)=O)c2[nH]c3cc(ccc3c12)C(=O)N1CCN(C)CC1 Show InChI InChI=1S/C26H26N4O3/c1-29-10-12-30(13-11-29)26(32)17-6-7-20-22(15-17)28-24-21(25(27)31)9-8-19(23(20)24)16-4-3-5-18(14-16)33-2/h3-9,14-15,28H,10-13H2,1-2H3,(H2,27,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Patents	PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant BTK				Bioorg Med Chem Lett 25: 4265-9 (2015) BindingDB Entry DOI: 10.7270/Q2251M17
					More data for this Ligand-Target Pair