BDBM50193825 CHEMBL3953048

SMILES: COc1c(Nc2ncc(Cl)c(Nc3ccccc3NS(C)(=O)=O)n2)ccc2CC(CCCc12)N1CCN(CCO)CC1

InChI Key: InChIKey=RPKOZPSDQJWXMG-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50193825   

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))	BDBM50193825 (CHEMBL3953048) Show SMILES COc1c(Nc2ncc(Cl)c(Nc3ccccc3NS(C)(=O)=O)n2)ccc2CC(CCCc12)N1CCN(CCO)CC1 Show InChI InChI=1S/C29H38ClN7O4S/c1-41-27-22-7-5-6-21(37-14-12-36(13-15-37)16-17-38)18-20(22)10-11-26(27)33-29-31-19-23(30)28(34-29)32-24-8-3-4-9-25(24)35-42(2,39)40/h3-4,8-11,19,21,35,38H,5-7,12-18H2,1-2H3,(H2,31,32,33,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Teva Branded Pharmaceutical Products R&D Curated by ChEMBL					Assay Description Inhibition of recombinant human INSR expressed in baculovirus using ATP as substrate after 15 mins by TRF assay				J Med Chem 59: 7478-96 (2016) Article DOI: 10.1021/acs.jmedchem.6b00487 BindingDB Entry DOI: 10.7270/Q2D79DC2
					More data for this Ligand-Target Pair
Focal adhesion kinase 1 (Homo sapiens (Human))	BDBM50193825 (CHEMBL3953048) Show SMILES COc1c(Nc2ncc(Cl)c(Nc3ccccc3NS(C)(=O)=O)n2)ccc2CC(CCCc12)N1CCN(CCO)CC1 Show InChI InChI=1S/C29H38ClN7O4S/c1-41-27-22-7-5-6-21(37-14-12-36(13-15-37)16-17-38)18-20(22)10-11-26(27)33-29-31-19-23(30)28(34-29)32-24-8-3-4-9-25(24)35-42(2,39)40/h3-4,8-11,19,21,35,38H,5-7,12-18H2,1-2H3,(H2,31,32,33,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.30	n/a	n/a	n/a	n/a	n/a	n/a
Teva Branded Pharmaceutical Products R&D Curated by ChEMBL					Assay Description Inhibition of human FAK expressed in baculovirus after 30 mins using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate by TRF assay				J Med Chem 59: 7478-96 (2016) Article DOI: 10.1021/acs.jmedchem.6b00487 BindingDB Entry DOI: 10.7270/Q2D79DC2
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50193825 (CHEMBL3953048) Show SMILES COc1c(Nc2ncc(Cl)c(Nc3ccccc3NS(C)(=O)=O)n2)ccc2CC(CCCc12)N1CCN(CCO)CC1 Show InChI InChI=1S/C29H38ClN7O4S/c1-41-27-22-7-5-6-21(37-14-12-36(13-15-37)16-17-38)18-20(22)10-11-26(27)33-29-31-19-23(30)28(34-29)32-24-8-3-4-9-25(24)35-42(2,39)40/h3-4,8-11,19,21,35,38H,5-7,12-18H2,1-2H3,(H2,31,32,33,34)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Teva Branded Pharmaceutical Products R&D Curated by ChEMBL					Assay Description Inhibition of human ALK expressed in baculovirus using recombinant GST PLC-gamma as substrate assessed as phosphorylation of the substrate after 15 m...				J Med Chem 59: 7478-96 (2016) Article DOI: 10.1021/acs.jmedchem.6b00487 BindingDB Entry DOI: 10.7270/Q2D79DC2
					More data for this Ligand-Target Pair