BDBM44439 2-(3-pyrrolidin-1-ylquinoxalin-2-yl)-2-thiophen-2-ylsulfonyl-ethanenitrile::2-(3-pyrrolidin-1-ylquinoxalin-2-yl)-2-thiophen-2-ylsulfonylacetonitrile::2-(3-pyrrolidinoquinoxalin-2-yl)-2-(2-thienylsulfonyl)acetonitrile::2-[3-(1-pyrrolidinyl)-2-quinoxalinyl]-2-thiophen-2-ylsulfonylacetonitrile::MLS000042133::SMR000048426::cid_667182

SMILES: O=S(=O)(C(C#N)c1nc2ccccc2nc1N1CCCC1)c1cccs1

InChI Key: InChIKey=LDZFLUKAAFJUEB-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 44439   

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
Eph receptor A4 (Mus musculus)	BDBM44439 (2-(3-pyrrolidin-1-ylquinoxalin-2-yl)-2-thiophen-2-...) Show SMILES O=S(=O)(C(C#N)c1nc2ccccc2nc1N1CCCC1)c1cccs1 Show InChI InChI=1S/C18H16N4O2S2/c19-12-15(26(23,24)16-8-5-11-25-16)17-18(22-9-3-4-10-22)21-14-7-2-1-6-13(14)20-17/h1-2,5-8,11,15H,3-4,9-10H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Sanford-Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2P55KW4
					More data for this Ligand-Target Pair
Eph receptor A4 (Mus musculus)	BDBM44439 (2-(3-pyrrolidin-1-ylquinoxalin-2-yl)-2-thiophen-2-...) Show SMILES O=S(=O)(C(C#N)c1nc2ccccc2nc1N1CCCC1)c1cccs1 Show InChI InChI=1S/C18H16N4O2S2/c19-12-15(26(23,24)16-8-5-11-25-16)17-18(22-9-3-4-10-22)21-14-7-2-1-6-13(14)20-17/h1-2,5-8,11,15H,3-4,9-10H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) NIH Molecular Libraries Screen...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2JD4V5T
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM44439 (2-(3-pyrrolidin-1-ylquinoxalin-2-yl)-2-thiophen-2-...) Show SMILES O=S(=O)(C(C#N)c1nc2ccccc2nc1N1CCCC1)c1cccs1 Show InChI InChI=1S/C18H16N4O2S2/c19-12-15(26(23,24)16-8-5-11-25-16)17-18(22-9-3-4-10-22)21-14-7-2-1-6-13(14)20-17/h1-2,5-8,11,15H,3-4,9-10H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	533	n/a	n/a	n/a	n/a	n/a	n/a
NanKai University Curated by ChEMBL					Assay Description Inhibition of recombinant human caspase-3 using Ac-LDEVD-AMC as substrate assessed as accumulation of 7-AMC incubated for 10 mins followed by substra...				Bioorg Med Chem 21: 2960-7 (2013) Article DOI: 10.1016/j.bmc.2013.03.075 BindingDB Entry DOI: 10.7270/Q2VQ343R
					More data for this Ligand-Target Pair
phosphomannomutase 2 (Homo sapiens (Human))	BDBM44439 (2-(3-pyrrolidin-1-ylquinoxalin-2-yl)-2-thiophen-2-...) Show SMILES O=S(=O)(C(C#N)c1nc2ccccc2nc1N1CCCC1)c1cccs1 Show InChI InChI=1S/C18H16N4O2S2/c19-12-15(26(23,24)16-8-5-11-25-16)17-18(22-9-3-4-10-22)21-14-7-2-1-6-13(14)20-17/h1-2,5-8,11,15H,3-4,9-10H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	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
Sanford-Burnham Medical Research Institute Curated by ChEMBL					Assay Description Inhibition of human purified PMM2				J Med Chem 54: 3661-8 (2011) Article DOI: 10.1021/jm101401a BindingDB Entry DOI: 10.7270/Q28C9WKP
					More data for this Ligand-Target Pair
Mannose-6-phosphate isomerase (Homo sapiens (Human))	BDBM44439 (2-(3-pyrrolidin-1-ylquinoxalin-2-yl)-2-thiophen-2-...) Show SMILES O=S(=O)(C(C#N)c1nc2ccccc2nc1N1CCCC1)c1cccs1 Show InChI InChI=1S/C18H16N4O2S2/c19-12-15(26(23,24)16-8-5-11-25-16)17-18(22-9-3-4-10-22)21-14-7-2-1-6-13(14)20-17/h1-2,5-8,11,15H,3-4,9-10H2	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sanford-Burnham Medical Research Institute Curated by ChEMBL					Assay Description Inhibition of human purified phosphomannose isomerase				J Med Chem 54: 3661-8 (2011) Article DOI: 10.1021/jm101401a BindingDB Entry DOI: 10.7270/Q28C9WKP
					More data for this Ligand-Target Pair