BDBM50463560 CHEMBL4249247

SMILES: CC(C)(O)C1CCc2c(C1)[nH]c1c(ccc(-c3cccc(CNC(=O)C=C)c3)c21)C(N)=O

InChI Key: InChIKey=CRSVKQFFZPGSSV-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 = 50463560   

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))	BDBM50463560 (CHEMBL4249247) Show SMILES CC(C)(O)C1CCc2c(C1)[nH]c1c(ccc(-c3cccc(CNC(=O)C=C)c3)c21)C(N)=O Show InChI InChI=1S/C26H29N3O3/c1-4-22(30)28-14-15-6-5-7-16(12-15)18-10-11-20(25(27)31)24-23(18)19-9-8-17(26(2,3)32)13-21(19)29-24/h4-7,10-12,17,29,32H,1,8-9,13-14H2,2-3H3,(H2,27,31)(H,28,30)	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	3.5	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))	BDBM50463560 (CHEMBL4249247) Show SMILES CC(C)(O)C1CCc2c(C1)[nH]c1c(ccc(-c3cccc(CNC(=O)C=C)c3)c21)C(N)=O Show InChI InChI=1S/C26H29N3O3/c1-4-22(30)28-14-15-6-5-7-16(12-15)18-10-11-20(25(27)31)24-23(18)19-9-8-17(26(2,3)32)13-21(19)29-24/h4-7,10-12,17,29,32H,1,8-9,13-14H2,2-3H3,(H2,27,31)(H,28,30)	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	200	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