BDBM50355116 CHEMBL493923::US10278929, Compound 22

SMILES: Oc1ccccc1C1NC(=O)C(C#N)=C(SCc2ccccc2)S1

InChI Key: InChIKey=CBPDTXHHGBVEIJ-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50355116   

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
Transthyretin (Homo sapiens (Human))	BDBM50355116 (CHEMBL493923 | US10278929, Compound 22) Show SMILES Oc1ccccc1C1NC(=O)C(C#N)=C(SCc2ccccc2)S1 |t:14| Show InChI InChI=1S/C18H14N2O2S2/c19-10-14-16(22)20-17(13-8-4-5-9-15(13)21)24-18(14)23-11-12-6-2-1-3-7-12/h1-9,17,21H,11H2,(H,20,22)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	4.79E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Board of Trustees of the Leland Stanford Junior University US Patent					Assay Description The FP assay was then adapted for HTS and used to screen ~120,000 small molecule library for compounds that displaced probe 5 from the T4 binding of ...				US Patent US8877795 (2014) BindingDB Entry DOI: 10.7270/Q2HT2N1M
					More data for this Ligand-Target Pair
Transthyretin (Homo sapiens (Human))	BDBM50355116 (CHEMBL493923 | US10278929, Compound 22) Show SMILES Oc1ccccc1C1NC(=O)C(C#N)=C(SCc2ccccc2)S1 |t:14| Show InChI InChI=1S/C18H14N2O2S2/c19-10-14-16(22)20-17(13-8-4-5-9-15(13)21)24-18(14)23-11-12-6-2-1-3-7-12/h1-9,17,21H,11H2,(H,20,22)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	4.79E+3	n/a	n/a	n/a	n/a	n/a	n/a
IRBM/Merck					Assay Description The FP assay was then adapted for HTS and used to screen a ˜120,000 member small molecule library for compounds that displaced the FP probe from the ...				Bioorg Med Chem Lett 18: 3456-61 (2008) BindingDB Entry DOI: 10.7270/Q2H70J43
					More data for this Ligand-Target Pair
Galactokinase (GALK) (Homo sapiens (Human))	BDBM50355116 (CHEMBL493923 | US10278929, Compound 22) Show SMILES Oc1ccccc1C1NC(=O)C(C#N)=C(SCc2ccccc2)S1 |t:14| Show InChI InChI=1S/C18H14N2O2S2/c19-10-14-16(22)20-17(13-8-4-5-9-15(13)21)24-18(14)23-11-12-6-2-1-3-7-12/h1-9,17,21H,11H2,(H,20,22)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human galactokinase after 30 mins by Kinase-GloTM assay				ACS Med Chem Lett 2: 667-672 (2011) Article DOI: 10.1021/ml200131j BindingDB Entry DOI: 10.7270/Q251406Q
					More data for this Ligand-Target Pair
4-diphosphocytidyl-2-C-methyl-D-erythritol kinase (Yersinia pestis)	BDBM50355116 (CHEMBL493923 | US10278929, Compound 22) Show SMILES Oc1ccccc1C1NC(=O)C(C#N)=C(SCc2ccccc2)S1 |t:14| Show InChI InChI=1S/C18H14N2O2S2/c19-10-14-16(22)20-17(13-8-4-5-9-15(13)21)24-18(14)23-11-12-6-2-1-3-7-12/h1-9,17,21H,11H2,(H,20,22)	KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Utah Curated by ChEMBL					Assay Description Inhibition of His6-tagged Yersinia pestis KIM6 CDP-ME kinase assessed as ADP production after 30 mins by Kinase Glo luminescence-based assay or stand...				Bioorg Med Chem 19: 5886-95 (2011) Article DOI: 10.1016/j.bmc.2011.08.012 BindingDB Entry DOI: 10.7270/Q2W37WQJ
					More data for this Ligand-Target Pair