BDBM50189443 CHEMBL3827790

SMILES: Cn1cc(cn1)-c1ccc(cc1)-c1cncc2ccc(cc12)N1CCCS1(=O)=O

InChI Key: InChIKey=XOTPZBXWJPZQBY-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 = 50189443   

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))	BDBM50189443 (CHEMBL3827790) Show SMILES Cn1cc(cn1)-c1ccc(cc1)-c1cncc2ccc(cc12)N1CCCS1(=O)=O Show InChI InChI=1S/C22H20N4O2S/c1-25-15-19(13-24-25)16-3-5-17(6-4-16)22-14-23-12-18-7-8-20(11-21(18)22)26-9-2-10-29(26,27)28/h3-8,11-15H,2,9-10H2,1H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.70	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))	BDBM50189443 (CHEMBL3827790) Show SMILES Cn1cc(cn1)-c1ccc(cc1)-c1cncc2ccc(cc12)N1CCCS1(=O)=O Show InChI InChI=1S/C22H20N4O2S/c1-25-15-19(13-24-25)16-3-5-17(6-4-16)22-14-23-12-18-7-8-20(11-21(18)22)26-9-2-10-29(26,27)28/h3-8,11-15H,2,9-10H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	87	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