BDBM50169062 CHEMBL3805194

SMILES: NC(=O)c1cc2c(Oc3ccc(Cl)cc3)cnc(N)c2s1

InChI Key: InChIKey=ZMWFSXAKXCNWGH-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 = 50169062   

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-Dependent Kinase 9 (CDK9) (Homo sapiens (Human))	BDBM50169062 (CHEMBL3805194) Show SMILES NC(=O)c1cc2c(Oc3ccc(Cl)cc3)cnc(N)c2s1 Show InChI InChI=1S/C14H10ClN3O2S/c15-7-1-3-8(4-2-7)20-10-6-18-13(16)12-9(10)5-11(21-12)14(17)19/h1-6H,(H2,16,18)(H2,17,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc Curated by ChEMBL					Assay Description Inhibition of full length human recombinant His-tagged CDK9/Cyclin T expressed in baculovirus expression system using Cdk7/9tide as substrate by adap...				ACS Med Chem Lett 7: 223-8 (2016) BindingDB Entry DOI: 10.7270/Q29G5PPC
					More data for this Ligand-Target Pair
Cyclin-C (Homo sapiens (Human))	BDBM50169062 (CHEMBL3805194) Show SMILES NC(=O)c1cc2c(Oc3ccc(Cl)cc3)cnc(N)c2s1 Show InChI InChI=1S/C14H10ClN3O2S/c15-7-1-3-8(4-2-7)20-10-6-18-13(16)12-9(10)5-11(21-12)14(17)19/h1-6H,(H2,16,18)(H2,17,19)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc Curated by ChEMBL					Assay Description Inhibition of full length human recombinant His-tagged CDK8/Cyclin C expressed in baculovirus expression system by fluorescence polarization assay				ACS Med Chem Lett 7: 223-8 (2016) BindingDB Entry DOI: 10.7270/Q29G5PPC
					More data for this Ligand-Target Pair