BDBM50233665 CHEMBL4103325

SMILES: CS(=O)(=O)N1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C1CC1

InChI Key: InChIKey=ZJPJSJGFBMRUFV-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 = 50233665   

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))	BDBM50233665 (CHEMBL4103325) Show SMILES CS(=O)(=O)N1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C1CC1 |c:7| Show InChI InChI=1S/C32H29FN4O4S/c1-42(40,41)36-12-8-20(9-13-36)28-17-25-24(7-11-34-31(25)35-28)23-3-2-4-29(26(23)18-38)37-14-10-21-15-22(19-5-6-19)16-27(33)30(21)32(37)39/h2-4,7-8,10-11,14-17,19,38H,5-6,9,12-13,18H2,1H3,(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	7.10	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))	BDBM50233665 (CHEMBL4103325) Show SMILES CS(=O)(=O)N1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C1CC1 |c:7| Show InChI InChI=1S/C32H29FN4O4S/c1-42(40,41)36-12-8-20(9-13-36)28-17-25-24(7-11-34-31(25)35-28)23-3-2-4-29(26(23)18-38)37-14-10-21-15-22(19-5-6-19)16-27(33)30(21)32(37)39/h2-4,7-8,10-11,14-17,19,38H,5-6,9,12-13,18H2,1H3,(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	410	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