BDBM50250 (NZ)-4-isopropyl-N-[4-keto-3-(1H-1,2,4-triazol-5-ylthio)-1-naphthylidene]benzenesulfonamide::4-isopropyl-N-[(1Z)-4-oxo-3-(1H-1,2,4-triazol-3-ylthio)naphthalen-1(4H)-ylidene]benzenesulfonamide::4-isopropyl-N-[4-keto-3-(1H-1,2,4-triazol-5-ylthio)-1-naphthylidene]benzenesulfonamide::MLS000585906::N-[4-oxidanylidene-3-(1H-1,2,4-triazol-5-ylsulfanyl)naphthalen-1-ylidene]-4-propan-2-yl-benzenesulfonamide::N-[4-oxo-3-(1H-1,2,4-triazol-5-ylsulfanyl)naphthalen-1-ylidene]-4-propan-2-ylbenzenesulfonamide::N-[4-oxo-3-(1H-1,2,4-triazol-5-ylthio)-1-naphthalenylidene]-4-propan-2-ylbenzenesulfonamide::SMR000207687::cid_3318359

SMILES: CC(C)c1ccc(cc1)S(=O)(=O)N=C1C=C(Sc2nnc[nH]2)C(=O)c2ccccc12

InChI Key: InChIKey=DCRFDHQSWQJQBT-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50250   

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
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50250 ((NZ)-4-isopropyl-N-[4-keto-3-(1H-1,2,4-triazol-5-y...) Show SMILES CC(C)c1ccc(cc1)S(=O)(=O)N=C1C=C(Sc2nnc[nH]2)C(=O)c2ccccc12 |w:12.12,t:15| Show InChI InChI=1S/C21H18N4O3S2/c1-13(2)14-7-9-15(10-8-14)30(27,28)25-18-11-19(29-21-22-12-23-24-21)20(26)17-6-4-3-5-16(17)18/h3-13H,1-2H3,(H,22,23,24)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.35E+3	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: Nikolovska-Coleska, Univer...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q23X8539
					More data for this Ligand-Target Pair
putative hexokinase HKDC1 (Homo sapiens (Human))	BDBM50250 ((NZ)-4-isopropyl-N-[4-keto-3-(1H-1,2,4-triazol-5-y...) Show SMILES CC(C)c1ccc(cc1)S(=O)(=O)N=C1C=C(Sc2nnc[nH]2)C(=O)c2ccccc12 |w:12.12,t:15| Show InChI InChI=1S/C21H18N4O3S2/c1-13(2)14-7-9-15(10-8-14)30(27,28)25-18-11-19(29-21-22-12-23-24-21)20(26)17-6-4-3-5-16(17)18/h3-13H,1-2H3,(H,22,23,24)	GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	5.87E+3	n/a	n/a	n/a	n/a	n/a	n/a
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 (2011) BindingDB Entry DOI: 10.7270/Q23F4N3R
					More data for this Ligand-Target Pair
putative hexokinase HKDC1 (Homo sapiens (Human))	BDBM50250 ((NZ)-4-isopropyl-N-[4-keto-3-(1H-1,2,4-triazol-5-y...) Show SMILES CC(C)c1ccc(cc1)S(=O)(=O)N=C1C=C(Sc2nnc[nH]2)C(=O)c2ccccc12 |w:12.12,t:15| Show InChI InChI=1S/C21H18N4O3S2/c1-13(2)14-7-9-15(10-8-14)30(27,28)25-18-11-19(29-21-22-12-23-24-21)20(26)17-6-4-3-5-16(17)18/h3-13H,1-2H3,(H,22,23,24)	GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	2.88E+3	n/a	n/a	n/a	n/a	n/a	n/a
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 (2011) BindingDB Entry DOI: 10.7270/Q2W094D4
					More data for this Ligand-Target Pair