null

SMILES: CCOc1ccc2nc(NC(=O)CSc3nc(-c4ccccc4)c(C#N)c(=O)[nH]3)sc2c1

InChI Key: InChIKey=MGIHBMLNJBQIJZ-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 53969   

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
M1 family aminopeptidase (Plasmodium falciparum (isolate FcB1 / Columbia))	BDBM53969 (2-[(5-cyano-4-keto-6-phenyl-1H-pyrimidin-2-yl)thio...) Show SMILES CCOc1ccc2nc(NC(=O)CSc3nc(-c4ccccc4)c(C#N)c(=O)[nH]3)sc2c1 Show InChI InChI=1S/C22H17N5O3S2/c1-2-30-14-8-9-16-17(10-14)32-22(24-16)25-18(28)12-31-21-26-19(13-6-4-3-5-7-13)15(11-23)20(29)27-21/h3-10H,2,12H2,1H3,(H,24,25,28)(H,26,27,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	2.41E+4	n/a	n/a	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q27H1H0J
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM53969 (2-[(5-cyano-4-keto-6-phenyl-1H-pyrimidin-2-yl)thio...) Show SMILES CCOc1ccc2nc(NC(=O)CSc3nc(-c4ccccc4)c(C#N)c(=O)[nH]3)sc2c1 Show InChI InChI=1S/C22H17N5O3S2/c1-2-30-14-8-9-16-17(10-14)32-22(24-16)25-18(28)12-31-21-26-19(13-6-4-3-5-7-13)15(11-23)20(29)27-21/h3-10H,2,12H2,1H3,(H,24,25,28)(H,26,27,29)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>6.46E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRISMC) Center Affiliation: The Scripps Research Institute, TS...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2FT8JMN
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM53969 (2-[(5-cyano-4-keto-6-phenyl-1H-pyrimidin-2-yl)thio...) Show SMILES CCOc1ccc2nc(NC(=O)CSc3nc(-c4ccccc4)c(C#N)c(=O)[nH]3)sc2c1 Show InChI InChI=1S/C22H17N5O3S2/c1-2-30-14-8-9-16-17(10-14)32-22(24-16)25-18(28)12-31-21-26-19(13-6-4-3-5-7-13)15(11-23)20(29)27-21/h3-10H,2,12H2,1H3,(H,24,25,28)(H,26,27,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	3.42E+4	n/a	n/a	n/a	n/a
Broad Institute Curated by PubChem BioAssay					Assay Description Keywords: GSK3beta, dose response, kinase, inhibition, HTS Assay Overview: The glycogen synthase kinase-3 beta (GSK-3b) is a known master regulator f...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2TX3CTT
					More data for this Ligand-Target Pair