BDBM50198880 CHEMBL3976274

SMILES: O=C1NC(=O)\C(S1)=C\c1cccc2nccnc12

InChI Key: InChIKey=ZIBABCRAQVBQJF-TWGQIWQCSA-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 = 50198880   

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))	BDBM50198880 (CHEMBL3976274) Show SMILES O=C1NC(=O)\C(S1)=C\c1cccc2nccnc12 Show InChI InChI=1S/C12H7N3O2S/c16-11-9(18-12(17)15-11)6-7-2-1-3-8-10(7)14-5-4-13-8/h1-6H,(H,15,16,17)/b9-6-	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	139	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))	BDBM50198880 (CHEMBL3976274) Show SMILES O=C1NC(=O)\C(S1)=C\c1cccc2nccnc12 Show InChI InChI=1S/C12H7N3O2S/c16-11-9(18-12(17)15-11)6-7-2-1-3-8-10(7)14-5-4-13-8/h1-6H,(H,15,16,17)/b9-6-	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.26E+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