BDBM50198898 CHEMBL3970270

SMILES: CCc1ccc(OCCCOc2ccc(\C=C3\SC(=O)NC3=O)cc2)cc1

InChI Key: InChIKey=OKGMJIWPWKQOJJ-XMHGGMMESA-N

Data: 1 KI  1 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 2 hits for monomerid = 50198898   

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))	BDBM50198898 (CHEMBL3970270) Show SMILES CCc1ccc(OCCCOc2ccc(\C=C3\SC(=O)NC3=O)cc2)cc1 Show InChI InChI=1S/C21H21NO4S/c1-2-15-4-8-17(9-5-15)25-12-3-13-26-18-10-6-16(7-11-18)14-19-20(23)22-21(24)27-19/h4-11,14H,2-3,12-13H2,1H3,(H,22,23,24)/b19-14+	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	29	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
CDGSH iron-sulfur domain-containing protein 1 (Homo sapiens (Human))	BDBM50198898 (CHEMBL3970270) Show SMILES CCc1ccc(OCCCOc2ccc(\C=C3\SC(=O)NC3=O)cc2)cc1 Show InChI InChI=1S/C21H21NO4S/c1-2-15-4-8-17(9-5-15)25-12-3-13-26-18-10-6-16(7-11-18)14-19-20(23)22-21(24)27-19/h4-11,14H,2-3,12-13H2,1H3,(H,22,23,24)/b19-14+	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	686	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