BDBM50410017 CHEMBL179694

SMILES: COc1ccc(c(F)c1)-c1nc2sc3CCCCc3c2c(=O)[nH]1

InChI Key: InChIKey=CRYRABVJBAVGCN-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 = 50410017   

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
CDK-interacting protein 1 (Homo sapiens (Human))	BDBM50410017 (CHEMBL179694) Show SMILES COc1ccc(c(F)c1)-c1nc2sc3CCCCc3c2c(=O)[nH]1 Show InChI InChI=1S/C17H15FN2O2S/c1-22-9-6-7-10(12(18)8-9)15-19-16(21)14-11-4-2-3-5-13(11)23-17(14)20-15/h6-8H,2-5H2,1H3,(H,19,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibitory concentration against human p21 proficient cell (p21+/+) proliferation				Bioorg Med Chem Lett 15: 3763-6 (2005) Article DOI: 10.1016/j.bmcl.2005.05.127 BindingDB Entry DOI: 10.7270/Q2XG9SB7
					More data for this Ligand-Target Pair
CDK-interacting protein 1 (Homo sapiens (Human))	BDBM50410017 (CHEMBL179694) Show SMILES COc1ccc(c(F)c1)-c1nc2sc3CCCCc3c2c(=O)[nH]1 Show InChI InChI=1S/C17H15FN2O2S/c1-22-9-6-7-10(12(18)8-9)15-19-16(21)14-11-4-2-3-5-13(11)23-17(14)20-15/h6-8H,2-5H2,1H3,(H,19,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	680	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibitory concentration against p21 deficient cell (p21-/-) proliferation				Bioorg Med Chem Lett 15: 3763-6 (2005) Article DOI: 10.1016/j.bmcl.2005.05.127 BindingDB Entry DOI: 10.7270/Q2XG9SB7
					More data for this Ligand-Target Pair