BDBM50233652 CHEMBL4075160

SMILES: OCc1c(cccc1-n1ccc2cc(cc(F)c2c1=O)C1CC1)-c1ccnc2[nH]c(cc12)C1=CCN(CC1)C(=O)N1CCOCC1

InChI Key: InChIKey=PANOFJZOLKOPTP-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 = 50233652   

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))	BDBM50233652 (CHEMBL4075160) Show SMILES OCc1c(cccc1-n1ccc2cc(cc(F)c2c1=O)C1CC1)-c1ccnc2[nH]c(cc12)C1=CCN(CC1)C(=O)N1CCOCC1 |t:38| Show InChI InChI=1S/C36H34FN5O4/c37-30-19-25(22-4-5-22)18-24-9-13-42(35(44)33(24)30)32-3-1-2-26(29(32)21-43)27-6-10-38-34-28(27)20-31(39-34)23-7-11-40(12-8-23)36(45)41-14-16-46-17-15-41/h1-3,6-7,9-10,13,18-20,22,43H,4-5,8,11-12,14-17,21H2,(H,38,39)	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	42	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))	BDBM50233652 (CHEMBL4075160) Show SMILES OCc1c(cccc1-n1ccc2cc(cc(F)c2c1=O)C1CC1)-c1ccnc2[nH]c(cc12)C1=CCN(CC1)C(=O)N1CCOCC1 |t:38| Show InChI InChI=1S/C36H34FN5O4/c37-30-19-25(22-4-5-22)18-24-9-13-42(35(44)33(24)30)32-3-1-2-26(29(32)21-43)27-6-10-38-34-28(27)20-31(39-34)23-7-11-40(12-8-23)36(45)41-14-16-46-17-15-41/h1-3,6-7,9-10,13,18-20,22,43H,4-5,8,11-12,14-17,21H2,(H,38,39)	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	7.30	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