BDBM50163795 CHEMBL3798382

SMILES: Cn1ncc2cc(ccc12)-c1cnc(N)c(Cl)c1N1CCC2(CCNC2=O)CC1

InChI Key: InChIKey=VPJXPDLMACOGIZ-UHFFFAOYSA-N

Data: 2 IC50

PDB links: 1 PDB ID matches this monomer.

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 2 hits for monomerid = 50163795   

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-C (Homo sapiens (Human))	BDBM50163795 (CHEMBL3798382) Show SMILES Cn1ncc2cc(ccc12)-c1cnc(N)c(Cl)c1N1CCC2(CCNC2=O)CC1 Show InChI InChI=1S/C21H23ClN6O/c1-27-16-3-2-13(10-14(16)11-26-27)15-12-25-19(23)17(22)18(15)28-8-5-21(6-9-28)4-7-24-20(21)29/h2-3,10-12H,4-9H2,1H3,(H2,23,25)(H,24,29)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB PubMed	n/a	n/a	4.90	n/a	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Binding affinity to human CDK8 (1 to 464 amino acid residues)/Cyclin C (1 to 283 amino acid residues) by reporter displacement assay				J Med Chem 59: 1078-101 (2016) BindingDB Entry DOI: 10.7270/Q29025P6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclin-dependent kinase 8 (Homo sapiens (Human))	BDBM50163795 (CHEMBL3798382) Show SMILES Cn1ncc2cc(ccc12)-c1cnc(N)c(Cl)c1N1CCC2(CCNC2=O)CC1 Show InChI InChI=1S/C21H23ClN6O/c1-27-16-3-2-13(10-14(16)11-26-27)15-12-25-19(23)17(22)18(15)28-8-5-21(6-9-28)4-7-24-20(21)29/h2-3,10-12H,4-9H2,1H3,(H2,23,25)(H,24,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Binding affinity to His-tagged CDK8 (unknown origin) after 60 mins by FRET based lanthascreen binding assay				J Med Chem 59: 1078-101 (2016) BindingDB Entry DOI: 10.7270/Q29025P6
					More data for this Ligand-Target Pair				3D Structure (crystal)