BDBM50233650 CHEMBL4070603

SMILES: OCc1c(cccc1-n1ccc2cc(cc(F)c2c1=O)C1CC1)-c1ccnc2[nH]ccc12

InChI Key: InChIKey=FYYDTFISANGCCD-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 = 50233650   

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))	BDBM50233650 (CHEMBL4070603) Show SMILES OCc1c(cccc1-n1ccc2cc(cc(F)c2c1=O)C1CC1)-c1ccnc2[nH]ccc12 Show InChI InChI=1S/C26H20FN3O2/c27-22-13-17(15-4-5-15)12-16-8-11-30(26(32)24(16)22)23-3-1-2-18(21(23)14-31)19-6-9-28-25-20(19)7-10-29-25/h1-3,6-13,15,31H,4-5,14H2,(H,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	562	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
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50233650 (CHEMBL4070603) Show SMILES OCc1c(cccc1-n1ccc2cc(cc(F)c2c1=O)C1CC1)-c1ccnc2[nH]ccc12 Show InChI InChI=1S/C26H20FN3O2/c27-22-13-17(15-4-5-15)12-16-8-11-30(26(32)24(16)22)23-3-1-2-18(21(23)14-31)19-6-9-28-25-20(19)7-10-29-25/h1-3,6-13,15,31H,4-5,14H2,(H,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	350	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