null

SMILES: CCOc1ccc(\C=C\C2=Cc3c(C#N)c(NC(=O)CSc4nnc(N)[nH]4)sc3C(C)(C)C2)cc1

InChI Key: InChIKey=KYLGLLYWMOMOPQ-AATRIKPKSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 44487   

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
Ephrin type-A receptor 4 (Mus musculus)	BDBM44487 (2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[3-c...) Show SMILES CCOc1ccc(\C=C\C2=Cc3c(C#N)c(NC(=O)CSc4nnc(N)[nH]4)sc3C(C)(C)C2)cc1 |t:9| Show InChI InChI=1S/C25H26N6O2S2/c1-4-33-17-9-7-15(8-10-17)5-6-16-11-18-19(13-26)22(35-21(18)25(2,3)12-16)28-20(32)14-34-24-29-23(27)30-31-24/h5-11H,4,12,14H2,1-3H3,(H,28,32)(H3,27,29,30,31)/b6-5+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.79E+3	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
Ephrin type-A receptor 4 (Mus musculus)	BDBM44487 (2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[3-c...) Show SMILES CCOc1ccc(\C=C\C2=Cc3c(C#N)c(NC(=O)CSc4nnc(N)[nH]4)sc3C(C)(C)C2)cc1 |t:9| Show InChI InChI=1S/C25H26N6O2S2/c1-4-33-17-9-7-15(8-10-17)5-6-16-11-18-19(13-26)22(35-21(18)25(2,3)12-16)28-20(32)14-34-24-29-23(27)30-31-24/h5-11H,4,12,14H2,1-3H3,(H,28,32)(H3,27,29,30,31)/b6-5+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase 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
Protein skinhead-1 (Caenorhabditis elegans)	BDBM44487 (2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[3-c...) Show SMILES CCOc1ccc(\C=C\C2=Cc3c(C#N)c(NC(=O)CSc4nnc(N)[nH]4)sc3C(C)(C)C2)cc1 |t:9| Show InChI InChI=1S/C25H26N6O2S2/c1-4-33-17-9-7-15(8-10-17)5-6-16-11-18-19(13-26)22(35-21(18)25(2,3)12-16)28-20(32)14-34-24-29-23(27)30-31-24/h5-11H,4,12,14H2,1-3H3,(H,28,32)(H3,27,29,30,31)/b6-5+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	7.66E+4	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay									PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2DV1HH8
					More data for this Ligand-Target Pair
X-box-binding protein 1 (Homo sapiens (Human))	BDBM44487 (2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[3-c...) Show SMILES CCOc1ccc(\C=C\C2=Cc3c(C#N)c(NC(=O)CSc4nnc(N)[nH]4)sc3C(C)(C)C2)cc1 |t:9| Show InChI InChI=1S/C25H26N6O2S2/c1-4-33-17-9-7-15(8-10-17)5-6-16-11-18-19(13-26)22(35-21(18)25(2,3)12-16)28-20(32)14-34-24-29-23(27)30-31-24/h5-11H,4,12,14H2,1-3H3,(H,28,32)(H3,27,29,30,31)/b6-5+	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2NK3CGB
					More data for this Ligand-Target Pair
DNA damage-inducible transcript 3 protein (Mus musculus)	BDBM44487 (2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[3-c...) Show SMILES CCOc1ccc(\C=C\C2=Cc3c(C#N)c(NC(=O)CSc4nnc(N)[nH]4)sc3C(C)(C)C2)cc1 |t:9| Show InChI InChI=1S/C25H26N6O2S2/c1-4-33-17-9-7-15(8-10-17)5-6-16-11-18-19(13-26)22(35-21(18)25(2,3)12-16)28-20(32)14-34-24-29-23(27)30-31-24/h5-11H,4,12,14H2,1-3H3,(H,28,32)(H3,27,29,30,31)/b6-5+	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	<160	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q28C9TQN
					More data for this Ligand-Target Pair
DNA damage-inducible transcript 3 protein (Mus musculus)	BDBM44487 (2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[3-c...) Show SMILES CCOc1ccc(\C=C\C2=Cc3c(C#N)c(NC(=O)CSc4nnc(N)[nH]4)sc3C(C)(C)C2)cc1 |t:9| Show InChI InChI=1S/C25H26N6O2S2/c1-4-33-17-9-7-15(8-10-17)5-6-16-11-18-19(13-26)22(35-21(18)25(2,3)12-16)28-20(32)14-34-24-29-23(27)30-31-24/h5-11H,4,12,14H2,1-3H3,(H,28,32)(H3,27,29,30,31)/b6-5+	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	<160	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2PC30VZ
					More data for this Ligand-Target Pair