BDBM50241870 CHEMBL4094902

SMILES: O=C(Nc1ccc(CN2CCOCC2)cc1)\C=C\c1cnccc1-c1cnsc1

InChI Key: InChIKey=WWGYFGUZQDCDTE-ZZXKWVIFSA-N

Data: 1 IC50  1 EC50

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 = 50241870   

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))	BDBM50241870 (CHEMBL4094902) Show SMILES O=C(Nc1ccc(CN2CCOCC2)cc1)\C=C\c1cnccc1-c1cnsc1 Show InChI InChI=1S/C22H22N4O2S/c27-22(6-3-18-13-23-8-7-21(18)19-14-24-29-16-19)25-20-4-1-17(2-5-20)15-26-9-11-28-12-10-26/h1-8,13-14,16H,9-12,15H2,(H,25,27)/b6-3+	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of kinase tracer 236 binding to full length N terminal GST-tagged human CDK8 (1 to 464 end residues) /CycC ( 1 to 283 end residues) expres...				Bioorg Med Chem 25: 3018-3033 (2017) Article DOI: 10.1016/j.bmc.2017.03.049 BindingDB Entry DOI: 10.7270/Q24X59XW
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 8 (Homo sapiens (Human))	BDBM50241870 (CHEMBL4094902) Show SMILES O=C(Nc1ccc(CN2CCOCC2)cc1)\C=C\c1cnccc1-c1cnsc1 Show InChI InChI=1S/C22H22N4O2S/c27-22(6-3-18-13-23-8-7-21(18)19-14-24-29-16-19)25-20-4-1-17(2-5-20)15-26-9-11-28-12-10-26/h1-8,13-14,16H,9-12,15H2,(H,25,27)/b6-3+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	110	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of CDK8 in human SW480 cells assessed as reduction in IFN-gamma induced STAT1 phosphorylation at Ser727 residues preincubated for 2 hrs fo...				Bioorg Med Chem 25: 3018-3033 (2017) Article DOI: 10.1016/j.bmc.2017.03.049 BindingDB Entry DOI: 10.7270/Q24X59XW
					More data for this Ligand-Target Pair