BDBM50350486 CHEMBL602048

SMILES: CC(C)(C)c1cc(Cc2sc(=O)[nH]c2O)cc(c1O)C(C)(C)C

InChI Key: InChIKey=IHIJZPQALWVJER-UHFFFAOYSA-N

Data: 1 KI  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 6 hits for monomerid = 50350486   

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
CDGSH iron-sulfur domain-containing protein 1 (Homo sapiens (Human))	BDBM50350486 (CHEMBL602048) Show SMILES CC(C)(C)c1cc(Cc2sc(=O)[nH]c2O)cc(c1O)C(C)(C)C Show InChI InChI=1S/C18H25NO3S/c1-17(2,3)11-7-10(8-12(14(11)20)18(4,5)6)9-13-15(21)19-16(22)23-13/h7-8,20-21H,9H2,1-6H3,(H,19,22)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	315	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
West Virginia University Curated by ChEMBL					Assay Description Displacement of [3H]rosiglitazone from recombinant human C-terminal His-tagged MitoNEET cytosolic domain (32 to 108 residues) expressed in Escherichi...				Bioorg Med Chem Lett 26: 5350-5353 (2016) Article DOI: 10.1016/j.bmcl.2016.09.009 BindingDB Entry DOI: 10.7270/Q2ZP483C
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50350486 (CHEMBL602048) Show SMILES CC(C)(C)c1cc(Cc2sc(=O)[nH]c2O)cc(c1O)C(C)(C)C Show InChI InChI=1S/C18H25NO3S/c1-17(2,3)11-7-10(8-12(14(11)20)18(4,5)6)9-13-15(21)19-16(22)23-13/h7-8,20-21H,9H2,1-6H3,(H,19,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.38E+3	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern Ohio Universities Colleges of Medicine and Pharmacy Curated by ChEMBL					Assay Description Inhibition of human recombinant MAOB by amplex red assay				Bioorg Med Chem Lett 21: 4798-803 (2011) Article DOI: 10.1016/j.bmcl.2011.06.060 BindingDB Entry DOI: 10.7270/Q2GX4CKZ
					More data for this Ligand-Target Pair
CDGSH iron-sulfur domain-containing protein 2 (Homo sapiens)	BDBM50350486 (CHEMBL602048) Show SMILES CC(C)(C)c1cc(Cc2sc(=O)[nH]c2O)cc(c1O)C(C)(C)C Show InChI InChI=1S/C18H25NO3S/c1-17(2,3)11-7-10(8-12(14(11)20)18(4,5)6)9-13-15(21)19-16(22)23-13/h7-8,20-21H,9H2,1-6H3,(H,19,22)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.98E+4	n/a	n/a	n/a	n/a	n/a	n/a
West Virginia University Curated by ChEMBL					Assay Description Binding affinity to recombinant human N-terminal His6-tagged NAF1 expressed in Escherichia coli by scintillation proximity assay				Bioorg Med Chem Lett 29: 901-904 (2019) Article DOI: 10.1016/j.bmcl.2019.01.041
					More data for this Ligand-Target Pair
CDGSH iron-sulfur domain-containing protein 1 (Rattus norvegicus)	BDBM50350486 (CHEMBL602048) Show SMILES CC(C)(C)c1cc(Cc2sc(=O)[nH]c2O)cc(c1O)C(C)(C)C Show InChI InChI=1S/C18H25NO3S/c1-17(2,3)11-7-10(8-12(14(11)20)18(4,5)6)9-13-15(21)19-16(22)23-13/h7-8,20-21H,9H2,1-6H3,(H,19,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern Ohio Universities Curated by ChEMBL					Assay Description Displacement of [3H]rosiglitazone from rat liver mitochondrial mitoNEET by scintillation counting				Bioorg Med Chem Lett 20: 819-23 (2010) Article DOI: 10.1016/j.bmcl.2009.12.088 BindingDB Entry DOI: 10.7270/Q2280BFZ
					More data for this Ligand-Target Pair
CDGSH iron-sulfur domain-containing protein 1 (Homo sapiens (Human))	BDBM50350486 (CHEMBL602048) Show SMILES CC(C)(C)c1cc(Cc2sc(=O)[nH]c2O)cc(c1O)C(C)(C)C Show InChI InChI=1S/C18H25NO3S/c1-17(2,3)11-7-10(8-12(14(11)20)18(4,5)6)9-13-15(21)19-16(22)23-13/h7-8,20-21H,9H2,1-6H3,(H,19,22)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.36E+3	n/a	n/a	n/a	n/a	n/a	n/a
Northeast Ohio Medical University Curated by ChEMBL					Assay Description Displacement of [3H]-rosiglitazone from human recombinant C-terminal His-tagged cytosolic domain of mitoNEET (32-108) by scintillation proximity assa...				Bioorg Med Chem Lett 21: 5498-501 (2011) Article DOI: 10.1016/j.bmcl.2011.06.111 BindingDB Entry DOI: 10.7270/Q2T43TFB
					More data for this Ligand-Target Pair
CDGSH iron-sulfur domain-containing protein 1 (Homo sapiens (Human))	BDBM50350486 (CHEMBL602048) Show SMILES CC(C)(C)c1cc(Cc2sc(=O)[nH]c2O)cc(c1O)C(C)(C)C Show InChI InChI=1S/C18H25NO3S/c1-17(2,3)11-7-10(8-12(14(11)20)18(4,5)6)9-13-15(21)19-16(22)23-13/h7-8,20-21H,9H2,1-6H3,(H,19,22)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.36E+3	n/a	n/a	n/a	n/a	n/a	n/a
West Virginia University Curated by ChEMBL					Assay Description Displacement of [3H]rosiglitazone from recombinant human C-terminal His-tagged MitoNEET cytosolic domain (32 to 108 residues) expressed in Escherichi...				Bioorg Med Chem Lett 26: 5350-5353 (2016) Article DOI: 10.1016/j.bmcl.2016.09.009 BindingDB Entry DOI: 10.7270/Q2ZP483C
					More data for this Ligand-Target Pair