BDBM50463723 CHEMBL4250200

SMILES: NC(=O)c1ccc(nc1Oc1ccc(Oc2ccccc2)cc1)N1CCN(CC1)C(=O)C=C

InChI Key: InChIKey=NKIPUROXQQAGAY-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 = 50463723   

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))	BDBM50463723 (CHEMBL4250200) Show SMILES NC(=O)c1ccc(nc1Oc1ccc(Oc2ccccc2)cc1)N1CCN(CC1)C(=O)C=C Show InChI InChI=1S/C25H24N4O4/c1-2-23(30)29-16-14-28(15-17-29)22-13-12-21(24(26)31)25(27-22)33-20-10-8-19(9-11-20)32-18-6-4-3-5-7-18/h2-13H,1,14-17H2,(H2,26,31)	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	4.10	n/a	n/a	n/a	n/a	n/a	n/a
EMD Serono Research & Development Institute, Inc. Curated by ChEMBL					Assay Description Inhibition of human full length BTK using FITC-AHA-EEPLYWSFPAKKK-NH2 as substrate after 90 mins by microfluid mobility shift assay				Bioorg Med Chem Lett 28: 2939-2944 (2018) Article DOI: 10.1016/j.bmcl.2018.07.008 BindingDB Entry DOI: 10.7270/Q2QR50TC
					More data for this Ligand-Target Pair