BDBM50185237 CHEMBL3824308

SMILES: CCP(=O)(CC)c1ccccc1Nc1nc(Nc2ccc(cc2OC)N2CCC(CC2)N2CCN(C)CC2)ncc1Cl

InChI Key: InChIKey=XBAUQTADQOFONU-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 = 50185237   

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))	BDBM50185237 (CHEMBL3824308) Show SMILES CCP(=O)(CC)c1ccccc1Nc1nc(Nc2ccc(cc2OC)N2CCC(CC2)N2CCN(C)CC2)ncc1Cl Show InChI InChI=1S/C31H43ClN7O2P/c1-5-42(40,6-2)29-10-8-7-9-27(29)34-30-25(32)22-33-31(36-30)35-26-12-11-24(21-28(26)41-4)38-15-13-23(14-16-38)39-19-17-37(3)18-20-39/h7-12,21-23H,5-6,13-20H2,1-4H3,(H2,33,34,35,36)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	314	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))	BDBM50185237 (CHEMBL3824308) Show SMILES CCP(=O)(CC)c1ccccc1Nc1nc(Nc2ccc(cc2OC)N2CCC(CC2)N2CCN(C)CC2)ncc1Cl Show InChI InChI=1S/C31H43ClN7O2P/c1-5-42(40,6-2)29-10-8-7-9-27(29)34-30-25(32)22-33-31(36-30)35-26-12-11-24(21-28(26)41-4)38-15-13-23(14-16-38)39-19-17-37(3)18-20-39/h7-12,21-23H,5-6,13-20H2,1-4H3,(H2,33,34,35,36)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.120	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))	BDBM50185237 (CHEMBL3824308) Show SMILES CCP(=O)(CC)c1ccccc1Nc1nc(Nc2ccc(cc2OC)N2CCC(CC2)N2CCN(C)CC2)ncc1Cl Show InChI InChI=1S/C31H43ClN7O2P/c1-5-42(40,6-2)29-10-8-7-9-27(29)34-30-25(32)22-33-31(36-30)35-26-12-11-24(21-28(26)41-4)38-15-13-23(14-16-38)39-19-17-37(3)18-20-39/h7-12,21-23H,5-6,13-20H2,1-4H3,(H2,33,34,35,36)	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	45	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