BDBM50165536 CHEMBL196337::N-[1-Isopropyl-2-(2-methoxy-5-nitro-benzylsulfanyl)-1H-benzoimidazol-5-yl]-3,3-dimethyl-butyramide

SMILES: COc1ccc(cc1CSc1nc2cc(NC(=O)CC(C)(C)C)ccc2n1C(C)C)[N+]([O-])=O

InChI Key: InChIKey=LVUPBNNPBKETLI-UHFFFAOYSA-N

Data: 2 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 = 50165536   

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
Gonadotropin-releasing hormone receptor (Rattus norvegicus)	BDBM50165536 (CHEMBL196337 | N-[1-Isopropyl-2-(2-methoxy-5-nitro...) Show SMILES COc1ccc(cc1CSc1nc2cc(NC(=O)CC(C)(C)C)ccc2n1C(C)C)[N+]([O-])=O Show InChI InChI=1S/C24H30N4O4S/c1-15(2)27-20-9-7-17(25-22(29)13-24(3,4)5)12-19(20)26-23(27)33-14-16-11-18(28(30)31)8-10-21(16)32-6/h7-12,15H,13-14H2,1-6H3,(H,25,29)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto 619-0216 Curated by ChEMBL					Assay Description Inhibitory concentration against rat leutinizing releasing hormone receptor				Bioorg Med Chem Lett 15: 2265-9 (2005) Article DOI: 10.1016/j.bmcl.2005.03.030 BindingDB Entry DOI: 10.7270/Q2GB23K1
					More data for this Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1) (Homo sapiens (Human))	BDBM50165536 (CHEMBL196337 | N-[1-Isopropyl-2-(2-methoxy-5-nitro...) Show SMILES COc1ccc(cc1CSc1nc2cc(NC(=O)CC(C)(C)C)ccc2n1C(C)C)[N+]([O-])=O Show InChI InChI=1S/C24H30N4O4S/c1-15(2)27-20-9-7-17(25-22(29)13-24(3,4)5)12-19(20)26-23(27)33-14-16-11-18(28(30)31)8-10-21(16)32-6/h7-12,15H,13-14H2,1-6H3,(H,25,29)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto 619-0216 Curated by ChEMBL					Assay Description Inhibitory concentration against human leutinizing releasing hormone receptor				Bioorg Med Chem Lett 15: 2265-9 (2005) Article DOI: 10.1016/j.bmcl.2005.03.030 BindingDB Entry DOI: 10.7270/Q2GB23K1
					More data for this Ligand-Target Pair