BDBM50248628 CHEMBL4072496

SMILES: NC(=O)c1[nH]cc(c1Cl)-c1ccncc1

InChI Key: InChIKey=PGLBZRZEQTVNDN-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 = 50248628   

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
CDK8/Cyclin C (Homo sapiens (Human))	BDBM50248628 (CHEMBL4072496) Show SMILES NC(=O)c1[nH]cc(c1Cl)-c1ccncc1 Show InChI InChI=1S/C10H8ClN3O/c11-8-7(5-14-9(8)10(12)15)6-1-3-13-4-2-6/h1-5,14H,(H2,12,15)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Medicinal Chemistry, Roche Innovation Center Shanghai, Bldg 5, 720 Cailun Road, Shanghai 201203, China. Electronic address: cyrus.han@roche.com. Curated by ChEMBL					Assay Description Inhibition of recombinant full length His-tagged human CDK8/Cyclin C expressed in baculovirus expression system using Ulight-GS peptide as substrate ...				Bioorg Med Chem Lett 27: 4488-4492 (2017) Article DOI: 10.1016/j.bmcl.2017.07.080 BindingDB Entry DOI: 10.7270/Q2NP26W9
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclin-C (Homo sapiens (Human))	BDBM50248628 (CHEMBL4072496) Show SMILES NC(=O)c1[nH]cc(c1Cl)-c1ccncc1 Show InChI InChI=1S/C10H8ClN3O/c11-8-7(5-14-9(8)10(12)15)6-1-3-13-4-2-6/h1-5,14H,(H2,12,15)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of full length recombinant human His-tagged CDK8/Cyclin C expressed in baculovirus expression system using Ulight-GS peptide as substrate ...				Bioorg Med Chem 25: 2336-2350 (2017) Article DOI: 10.1016/j.bmc.2017.02.038 BindingDB Entry DOI: 10.7270/Q21J9D6H
					More data for this Ligand-Target Pair				3D Structure (crystal)