BDBM50185236 CHEMBL3823078

SMILES: COc1cc(N2CCC(CC2)N2CCN(C)CC2)c(F)cc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1

InChI Key: InChIKey=GERKWUCMHZITIS-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 = 50185236   

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))	BDBM50185236 (CHEMBL3823078) Show SMILES COc1cc(N2CCC(CC2)N2CCN(C)CC2)c(F)cc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1 Show InChI InChI=1S/C29H38ClFN7O2P/c1-36-13-15-37(16-14-36)20-9-11-38(12-10-20)25-18-26(40-2)24(17-22(25)31)34-29-32-19-21(30)28(35-29)33-23-7-5-6-8-27(23)41(3,4)39/h5-8,17-20H,9-16H2,1-4H3,(H2,32,33,34,35)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.18E+3	n/a	n/a	n/a	n/a	n/a	n/a
ARIAD Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of human InsR using myelin basic protein as substrate and [gamma-33P]ATP measured after 1 hr				J Med Chem 59: 4948-64 (2016) BindingDB Entry DOI: 10.7270/Q2NK3H0Q
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50185236 (CHEMBL3823078) Show SMILES COc1cc(N2CCC(CC2)N2CCN(C)CC2)c(F)cc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1 Show InChI InChI=1S/C29H38ClFN7O2P/c1-36-13-15-37(16-14-36)20-9-11-38(12-10-20)25-18-26(40-2)24(17-22(25)31)34-29-32-19-21(30)28(35-29)33-23-7-5-6-8-27(23)41(3,4)39/h5-8,17-20H,9-16H2,1-4H3,(H2,32,33,34,35)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
ARIAD Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of human ALK using poly[Glu:Tyr] (4:1) as substrate and [gamma-33P]ATP measured after 1 hr				J Med Chem 59: 4948-64 (2016) BindingDB Entry DOI: 10.7270/Q2NK3H0Q
					More data for this Ligand-Target Pair
Insulin-like growth factor I receptor (Homo sapiens (Human))	BDBM50185236 (CHEMBL3823078) Show SMILES COc1cc(N2CCC(CC2)N2CCN(C)CC2)c(F)cc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1 Show InChI InChI=1S/C29H38ClFN7O2P/c1-36-13-15-37(16-14-36)20-9-11-38(12-10-20)25-18-26(40-2)24(17-22(25)31)34-29-32-19-21(30)28(35-29)33-23-7-5-6-8-27(23)41(3,4)39/h5-8,17-20H,9-16H2,1-4H3,(H2,32,33,34,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
ARIAD Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of human IGF1R using KKKSPGEYVNIEFG as substrate and [gamma-33P]ATP measured after 1 hr				J Med Chem 59: 4948-64 (2016) BindingDB Entry DOI: 10.7270/Q2NK3H0Q
					More data for this Ligand-Target Pair