BDBM50512825 CHEMBL4575729

SMILES: Fc1cnc(Nc2ccc(OCCSC(=S)N3CCN(CC3)c3ccccc3)cc2)nc1Nc1cccc(NC(=O)C=C)c1

InChI Key: InChIKey=RINLBHOARLXKMX-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 = 50512825   

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))	BDBM50512825 (CHEMBL4575729) Show SMILES Fc1cnc(Nc2ccc(OCCSC(=S)N3CCN(CC3)c3ccccc3)cc2)nc1Nc1cccc(NC(=O)C=C)c1 Show InChI InChI=1S/C32H32FN7O2S2/c1-2-29(41)35-24-7-6-8-25(21-24)36-30-28(33)22-34-31(38-30)37-23-11-13-27(14-12-23)42-19-20-44-32(43)40-17-15-39(16-18-40)26-9-4-3-5-10-26/h2-14,21-22H,1,15-20H2,(H,35,41)(H2,34,36,37,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	386	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Health Science Center Curated by ChEMBL					Assay Description Inhibition of human recombinant full length BTK expressed in baculovirus in Sf9 insect cells using Poly (4:1 Glu, Tyr) as substrate incubated for 1 h...				Bioorg Med Chem 27: 4124-4142 (2019) Article DOI: 10.1016/j.bmc.2019.07.043
					More data for this Ligand-Target Pair