BDBM50184465 CHEMBL3822976

SMILES: CNCC(=O)N1CCC(CC1)n1nc(C)c(Nc2ncc(Cl)c(n2)-c2cnn3ccccc23)c1C

InChI Key: InChIKey=URRXEWDNSQBJIA-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50184465   

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
1,3-beta-glucan synthase component GLS2 (Saccharomyces cerevisiae)	BDBM50184465 (CHEMBL3822976) Show SMILES CNCC(=O)N1CCC(CC1)n1nc(C)c(Nc2ncc(Cl)c(n2)-c2cnn3ccccc23)c1C Show InChI InChI=1S/C24H28ClN9O/c1-15-22(16(2)34(31-15)17-7-10-32(11-8-17)21(35)14-26-3)29-24-27-13-19(25)23(30-24)18-12-28-33-9-5-4-6-20(18)33/h4-6,9,12-13,17,26H,7-8,10-11,14H2,1-3H3,(H,27,29,30)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>3.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human ERG expressed in CHOK1 cells after 6 mins by electrophysiology assay				J Med Chem 59: 4859-66 (2016) BindingDB Entry DOI: 10.7270/Q2KS6TG9
					More data for this Ligand-Target Pair
Insulin-like growth factor I receptor (Homo sapiens (Human))	BDBM50184465 (CHEMBL3822976) Show SMILES CNCC(=O)N1CCC(CC1)n1nc(C)c(Nc2ncc(Cl)c(n2)-c2cnn3ccccc23)c1C Show InChI InChI=1S/C24H28ClN9O/c1-15-22(16(2)34(31-15)17-7-10-32(11-8-17)21(35)14-26-3)29-24-27-13-19(25)23(30-24)18-12-28-33-9-5-4-6-20(18)33/h4-6,9,12-13,17,26H,7-8,10-11,14H2,1-3H3,(H,27,29,30)	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	19	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of IGF1-induced human IGF1R autophosphorylation expressed in IGF-1R knock-out mouse fibroblasts				J Med Chem 59: 4859-66 (2016) BindingDB Entry DOI: 10.7270/Q2KS6TG9
					More data for this Ligand-Target Pair
Insulin-like growth factor I receptor (Homo sapiens (Human))	BDBM50184465 (CHEMBL3822976) Show SMILES CNCC(=O)N1CCC(CC1)n1nc(C)c(Nc2ncc(Cl)c(n2)-c2cnn3ccccc23)c1C Show InChI InChI=1S/C24H28ClN9O/c1-15-22(16(2)34(31-15)17-7-10-32(11-8-17)21(35)14-26-3)29-24-27-13-19(25)23(30-24)18-12-28-33-9-5-4-6-20(18)33/h4-6,9,12-13,17,26H,7-8,10-11,14H2,1-3H3,(H,27,29,30)	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	6	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant human IGF-1R using fluorescent labeled FL-KKSRGDYMTMQIG-CONH2 as substrate after 1 hr 50 mins				J Med Chem 59: 4859-66 (2016) BindingDB Entry DOI: 10.7270/Q2KS6TG9
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50184465 (CHEMBL3822976) Show SMILES CNCC(=O)N1CCC(CC1)n1nc(C)c(Nc2ncc(Cl)c(n2)-c2cnn3ccccc23)c1C Show InChI InChI=1S/C24H28ClN9O/c1-15-22(16(2)34(31-15)17-7-10-32(11-8-17)21(35)14-26-3)29-24-27-13-19(25)23(30-24)18-12-28-33-9-5-4-6-20(18)33/h4-6,9,12-13,17,26H,7-8,10-11,14H2,1-3H3,(H,27,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of CYP3A4 (unknown origin)				J Med Chem 59: 4859-66 (2016) BindingDB Entry DOI: 10.7270/Q2KS6TG9
					More data for this Ligand-Target Pair