BDBM50184466 CHEMBL3823659

SMILES: CC(=O)N1CCC(CC1)n1cc(Nc2ncc(Cl)c(n2)-c2cnc3ccccn23)cn1

InChI Key: InChIKey=FBFCEASGGVTKEY-UHFFFAOYSA-N

Data: 8 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 8 hits for monomerid = 50184466   

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
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50184466 (CHEMBL3823659) Show SMILES CC(=O)N1CCC(CC1)n1cc(Nc2ncc(Cl)c(n2)-c2cnc3ccccn23)cn1 Show InChI InChI=1S/C21H21ClN8O/c1-14(31)28-8-5-16(6-9-28)30-13-15(10-25-30)26-21-24-11-17(22)20(27-21)18-12-23-19-4-2-3-7-29(18)19/h2-4,7,10-13,16H,5-6,8-9H2,1H3,(H,24,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	66	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of CDK1 (unknown origin)				J Med Chem 59: 4859-66 (2016) BindingDB Entry DOI: 10.7270/Q2KS6TG9
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 7 (Homo sapiens (Human))	BDBM50184466 (CHEMBL3823659) Show SMILES CC(=O)N1CCC(CC1)n1cc(Nc2ncc(Cl)c(n2)-c2cnc3ccccn23)cn1 Show InChI InChI=1S/C21H21ClN8O/c1-14(31)28-8-5-16(6-9-28)30-13-15(10-25-30)26-21-24-11-17(22)20(27-21)18-12-23-19-4-2-3-7-29(18)19/h2-4,7,10-13,16H,5-6,8-9H2,1H3,(H,24,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of CDK7 (unknown origin)				J Med Chem 59: 4859-66 (2016) BindingDB Entry DOI: 10.7270/Q2KS6TG9
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 8 (Homo sapiens (Human))	BDBM50184466 (CHEMBL3823659) Show SMILES CC(=O)N1CCC(CC1)n1cc(Nc2ncc(Cl)c(n2)-c2cnc3ccccn23)cn1 Show InChI InChI=1S/C21H21ClN8O/c1-14(31)28-8-5-16(6-9-28)30-13-15(10-25-30)26-21-24-11-17(22)20(27-21)18-12-23-19-4-2-3-7-29(18)19/h2-4,7,10-13,16H,5-6,8-9H2,1H3,(H,24,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of CDK8 (unknown origin)				J Med Chem 59: 4859-66 (2016) BindingDB Entry DOI: 10.7270/Q2KS6TG9
					More data for this Ligand-Target Pair
1,3-beta-glucan synthase component GLS2 (Saccharomyces cerevisiae)	BDBM50184466 (CHEMBL3823659) Show SMILES CC(=O)N1CCC(CC1)n1cc(Nc2ncc(Cl)c(n2)-c2cnc3ccccn23)cn1 Show InChI InChI=1S/C21H21ClN8O/c1-14(31)28-8-5-16(6-9-28)30-13-15(10-25-30)26-21-24-11-17(22)20(27-21)18-12-23-19-4-2-3-7-29(18)19/h2-4,7,10-13,16H,5-6,8-9H2,1H3,(H,24,26,27)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.40E+3	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))	BDBM50184466 (CHEMBL3823659) Show SMILES CC(=O)N1CCC(CC1)n1cc(Nc2ncc(Cl)c(n2)-c2cnc3ccccn23)cn1 Show InChI InChI=1S/C21H21ClN8O/c1-14(31)28-8-5-16(6-9-28)30-13-15(10-25-30)26-21-24-11-17(22)20(27-21)18-12-23-19-4-2-3-7-29(18)19/h2-4,7,10-13,16H,5-6,8-9H2,1H3,(H,24,26,27)	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	42	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
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50184466 (CHEMBL3823659) Show SMILES CC(=O)N1CCC(CC1)n1cc(Nc2ncc(Cl)c(n2)-c2cnc3ccccn23)cn1 Show InChI InChI=1S/C21H21ClN8O/c1-14(31)28-8-5-16(6-9-28)30-13-15(10-25-30)26-21-24-11-17(22)20(27-21)18-12-23-19-4-2-3-7-29(18)19/h2-4,7,10-13,16H,5-6,8-9H2,1H3,(H,24,26,27)	PDB MMDB NCI pathway 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	25	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of CDK2 (unknown origin)				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))	BDBM50184466 (CHEMBL3823659) Show SMILES CC(=O)N1CCC(CC1)n1cc(Nc2ncc(Cl)c(n2)-c2cnc3ccccn23)cn1 Show InChI InChI=1S/C21H21ClN8O/c1-14(31)28-8-5-16(6-9-28)30-13-15(10-25-30)26-21-24-11-17(22)20(27-21)18-12-23-19-4-2-3-7-29(18)19/h2-4,7,10-13,16H,5-6,8-9H2,1H3,(H,24,26,27)	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	181	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
Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM50184466 (CHEMBL3823659) Show SMILES CC(=O)N1CCC(CC1)n1cc(Nc2ncc(Cl)c(n2)-c2cnc3ccccn23)cn1 Show InChI InChI=1S/C21H21ClN8O/c1-14(31)28-8-5-16(6-9-28)30-13-15(10-25-30)26-21-24-11-17(22)20(27-21)18-12-23-19-4-2-3-7-29(18)19/h2-4,7,10-13,16H,5-6,8-9H2,1H3,(H,24,26,27)	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	37	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of CDK9 (unknown origin)				J Med Chem 59: 4859-66 (2016) BindingDB Entry DOI: 10.7270/Q2KS6TG9
					More data for this Ligand-Target Pair