BDBM50240273 CHEMBL4091729

SMILES: COc1cc2-c3c(C)[nH]nc3CCc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1

InChI Key: InChIKey=WAGRWRIWWPGPDN-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 = 50240273   

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
Insulin receptor (Homo sapiens (Human))	BDBM50240273 (CHEMBL4091729) Show SMILES COc1cc2-c3c(C)[nH]nc3CCc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1 Show InChI InChI=1S/C26H27ClN6O3S/c1-14(2)37(34,35)23-8-6-5-7-19(23)29-25-18(27)13-28-26(31-25)30-21-11-16-9-10-20-24(15(3)32-33-20)17(16)12-22(21)36-4/h5-8,11-14H,9-10H2,1-4H3,(H,32,33)(H2,28,29,30,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
University of Science& Technology Curated by ChEMBL					Assay Description Inhibition of insulin receptor kinase (unknown origin) using TK as substrate after 30 mins by HTRF assay				Bioorg Med Chem Lett 27: 2185-2191 (2017) Article DOI: 10.1016/j.bmcl.2017.03.073 BindingDB Entry DOI: 10.7270/Q2DR2XNC
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50240273 (CHEMBL4091729) Show SMILES COc1cc2-c3c(C)[nH]nc3CCc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1 Show InChI InChI=1S/C26H27ClN6O3S/c1-14(2)37(34,35)23-8-6-5-7-19(23)29-25-18(27)13-28-26(31-25)30-21-11-16-9-10-20-24(15(3)32-33-20)17(16)12-22(21)36-4/h5-8,11-14H,9-10H2,1-4H3,(H,32,33)(H2,28,29,30,31)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
University of Science& Technology Curated by ChEMBL					Assay Description In vitro ability to inhibit the binding of [3H]spiperone to dopamine receptor D2 in rat striatal membranes.				Bioorg Med Chem Lett 27: 2185-2191 (2017) Article DOI: 10.1016/j.bmcl.2017.03.073 BindingDB Entry DOI: 10.7270/Q2DR2XNC
					More data for this Ligand-Target Pair