BDBM50189449 CHEMBL3827023

SMILES: COC1(C)CN(C1)C(=O)c1ccc2c(N)ncc(-c3ccc(cc3)-c3cnn(C)c3)c2n1

InChI Key: InChIKey=BIPBLKIGJHZBND-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50189449   

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))	BDBM50189449 (CHEMBL3827023) Show SMILES COC1(C)CN(C1)C(=O)c1ccc2c(N)ncc(-c3ccc(cc3)-c3cnn(C)c3)c2n1 Show InChI InChI=1S/C24H24N6O2/c1-24(32-3)13-30(14-24)23(31)20-9-8-18-21(28-20)19(11-26-22(18)25)16-6-4-15(5-7-16)17-10-27-29(2)12-17/h4-12H,13-14H2,1-3H3,(H2,25,26)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL 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
The Institute of Cancer Research Curated by ChEMBL					Assay Description Competitive binding affinity to full length His-tagged human recombinant CDK8/cyclin C expressed in baculovirus after 20 mins in presence of Alexa647...				ACS Med Chem Lett 7: 573-8 (2016) BindingDB Entry DOI: 10.7270/Q2N87CRB
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 8 (Homo sapiens (Human))	BDBM50189449 (CHEMBL3827023) Show SMILES COC1(C)CN(C1)C(=O)c1ccc2c(N)ncc(-c3ccc(cc3)-c3cnn(C)c3)c2n1 Show InChI InChI=1S/C24H24N6O2/c1-24(32-3)13-30(14-24)23(31)20-9-8-18-21(28-20)19(11-26-22(18)25)16-6-4-15(5-7-16)17-10-27-29(2)12-17/h4-12H,13-14H2,1-3H3,(H2,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8.20	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 CDK8 (unknown origin) expressed in human 7dF3 cells preincubated for 2 hrs followed by beta-oestradiol addition measured after 24...				ACS Med Chem Lett 7: 573-8 (2016) BindingDB Entry DOI: 10.7270/Q2N87CRB
					More data for this Ligand-Target Pair