BDBM50410012 CHEMBL178310

SMILES: COc1ccc(cc1)-c1nc2sc3CCCCc3c2c(=O)[nH]1

InChI Key: InChIKey=MXYYHEJTMJMGSX-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 = 50410012   

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))	BDBM50410012 (CHEMBL178310) Show SMILES COc1ccc(cc1)-c1nc2sc3CCCCc3c2c(=O)[nH]1 Show InChI InChI=1S/C17H16N2O2S/c1-21-11-8-6-10(7-9-11)15-18-16(20)14-12-4-2-3-5-13(12)22-17(14)19-15/h6-9H,2-5H2,1H3,(H,18,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.40E+3	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
CDK-interacting protein 1 (Homo sapiens (Human))	BDBM50410012 (CHEMBL178310) Show SMILES COc1ccc(cc1)-c1nc2sc3CCCCc3c2c(=O)[nH]1 Show InChI InChI=1S/C17H16N2O2S/c1-21-11-8-6-10(7-9-11)15-18-16(20)14-12-4-2-3-5-13(12)22-17(14)19-15/h6-9H,2-5H2,1H3,(H,18,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+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