BDBM50463566 CHEMBL4243299

SMILES: Cc1c(cccc1-n1cnc2ccccc2c1=O)-c1ccc(C(N)=O)c2[nH]c3ccccc3c12

InChI Key: InChIKey=VETCDAPGXAEGJI-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50463566   

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))	BDBM50463566 (CHEMBL4243299) Show SMILES Cc1c(cccc1-n1cnc2ccccc2c1=O)-c1ccc(C(N)=O)c2[nH]c3ccccc3c12 Show InChI InChI=1S/C28H20N4O2/c1-16-17(9-6-12-24(16)32-15-30-22-10-4-3-8-20(22)28(32)34)18-13-14-21(27(29)33)26-25(18)19-7-2-5-11-23(19)31-26/h2-15,31H,1H3,(H2,29,33)	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	16	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Inhibition of recombinant human full-length His-tagged BTK cytoplasmic domain expressed in baculovirus expression system using fluorescence-labelled ...				Bioorg Med Chem Lett 28: 3080-3084 (2018) Article DOI: 10.1016/j.bmcl.2018.07.041 BindingDB Entry DOI: 10.7270/Q2NZ8B9C
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50463566 (CHEMBL4243299) Show SMILES Cc1c(cccc1-n1cnc2ccccc2c1=O)-c1ccc(C(N)=O)c2[nH]c3ccccc3c12 Show InChI InChI=1S/C28H20N4O2/c1-16-17(9-6-12-24(16)32-15-30-22-10-4-3-8-20(22)28(32)34)18-13-14-21(27(29)33)26-25(18)19-7-2-5-11-23(19)31-26/h2-15,31H,1H3,(H2,29,33)	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	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Inhibition of BTK in human Ramos cells assessed as reduction in intracellular calcium level incubated for 1 hr measured for 180 secs by FLIPR assay				Bioorg Med Chem Lett 28: 3080-3084 (2018) Article DOI: 10.1016/j.bmcl.2018.07.041 BindingDB Entry DOI: 10.7270/Q2NZ8B9C
					More data for this Ligand-Target Pair