BDBM50184458 CHEMBL3822587

SMILES: Cc1nn(C2CCN(CC2)C(=O)CO)c(C)c1Nc1ncc(Cl)c(n1)-c1cnn2ccccc12

InChI Key: InChIKey=WNDWJPYYIUKFOF-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 = 50184458   

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)	BDBM50184458 (CHEMBL3822587) Show SMILES Cc1nn(C2CCN(CC2)C(=O)CO)c(C)c1Nc1ncc(Cl)c(n1)-c1cnn2ccccc12 Show InChI InChI=1S/C23H25ClN8O2/c1-14-21(15(2)32(29-14)16-6-9-30(10-7-16)20(34)13-33)27-23-25-12-18(24)22(28-23)17-11-26-31-8-4-3-5-19(17)31/h3-5,8,11-12,16,33H,6-7,9-10,13H2,1-2H3,(H,25,27,28)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.20E+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))	BDBM50184458 (CHEMBL3822587) Show SMILES Cc1nn(C2CCN(CC2)C(=O)CO)c(C)c1Nc1ncc(Cl)c(n1)-c1cnn2ccccc12 Show InChI InChI=1S/C23H25ClN8O2/c1-14-21(15(2)32(29-14)16-6-9-30(10-7-16)20(34)13-33)27-23-25-12-18(24)22(28-23)17-11-26-31-8-4-3-5-19(17)31/h3-5,8,11-12,16,33H,6-7,9-10,13H2,1-2H3,(H,25,27,28)	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	29	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))	BDBM50184458 (CHEMBL3822587) Show SMILES Cc1nn(C2CCN(CC2)C(=O)CO)c(C)c1Nc1ncc(Cl)c(n1)-c1cnn2ccccc12 Show InChI InChI=1S/C23H25ClN8O2/c1-14-21(15(2)32(29-14)16-6-9-30(10-7-16)20(34)13-33)27-23-25-12-18(24)22(28-23)17-11-26-31-8-4-3-5-19(17)31/h3-5,8,11-12,16,33H,6-7,9-10,13H2,1-2H3,(H,25,27,28)	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	12	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))	BDBM50184458 (CHEMBL3822587) Show SMILES Cc1nn(C2CCN(CC2)C(=O)CO)c(C)c1Nc1ncc(Cl)c(n1)-c1cnn2ccccc12 Show InChI InChI=1S/C23H25ClN8O2/c1-14-21(15(2)32(29-14)16-6-9-30(10-7-16)20(34)13-33)27-23-25-12-18(24)22(28-23)17-11-26-31-8-4-3-5-19(17)31/h3-5,8,11-12,16,33H,6-7,9-10,13H2,1-2H3,(H,25,27,28)	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	>1.00E+4	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