BDBM50233655 CHEMBL4101864

SMILES: OCc1c(cccc1-n1ccc2cc(cc(F)c2c1=O)C1CC1)-c1ccnc2[nH]c(cc12)C1=CCNCC1

InChI Key: InChIKey=YBJUVZKBMMLNCB-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 = 50233655   

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))	BDBM50233655 (CHEMBL4101864) Show SMILES OCc1c(cccc1-n1ccc2cc(cc(F)c2c1=O)C1CC1)-c1ccnc2[nH]c(cc12)C1=CCNCC1 |t:38| Show InChI InChI=1S/C31H27FN4O2/c32-26-15-21(18-4-5-18)14-20-9-13-36(31(38)29(20)26)28-3-1-2-22(25(28)17-37)23-8-12-34-30-24(23)16-27(35-30)19-6-10-33-11-7-19/h1-3,6,8-9,12-16,18,33,37H,4-5,7,10-11,17H2,(H,34,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of BTK in human Ramos cells assessed as inhibition of anti human IgM-induced calcium influx preincubated for 20 mins in dark followed by a...				Bioorg Med Chem 23: 4344-53 (2015) BindingDB Entry DOI: 10.7270/Q25T3NR9
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50233655 (CHEMBL4101864) Show SMILES OCc1c(cccc1-n1ccc2cc(cc(F)c2c1=O)C1CC1)-c1ccnc2[nH]c(cc12)C1=CCNCC1 |t:38| Show InChI InChI=1S/C31H27FN4O2/c32-26-15-21(18-4-5-18)14-20-9-13-36(31(38)29(20)26)28-3-1-2-22(25(28)17-37)23-8-12-34-30-24(23)16-27(35-30)19-6-10-33-11-7-19/h1-3,6,8-9,12-16,18,33,37H,4-5,7,10-11,17H2,(H,34,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant human His-tagged full length BTK expressed in baculovirus using biotin labeled peptide substrate after 1 hr by HRTF kinase/...				Bioorg Med Chem 23: 4344-53 (2015) BindingDB Entry DOI: 10.7270/Q25T3NR9
					More data for this Ligand-Target Pair