BDBM50165551 6-(3-tert-Butyl-ureido)-2-(2-methoxy-5-nitro-benzylsulfanyl)-3-propyl-3H-benzoimidazole-4-carboxylic acid methyl ester::CHEMBL196079

SMILES: CCCn1c(SCc2cc(ccc2OC)[N+]([O-])=O)nc2cc(NC(=O)NC(C)(C)C)cc(C(=O)OC)c12

InChI Key: InChIKey=RFCAGMOCYWTBGH-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 = 50165551   

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)	BDBM50165551 (6-(3-tert-Butyl-ureido)-2-(2-methoxy-5-nitro-benzy...) Show SMILES CCCn1c(SCc2cc(ccc2OC)[N+]([O-])=O)nc2cc(NC(=O)NC(C)(C)C)cc(C(=O)OC)c12 Show InChI InChI=1S/C25H31N5O6S/c1-7-10-29-21-18(22(31)36-6)12-16(26-23(32)28-25(2,3)4)13-19(21)27-24(29)37-14-15-11-17(30(33)34)8-9-20(15)35-5/h8-9,11-13H,7,10,14H2,1-6H3,(H2,26,28,32)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	280	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))	BDBM50165551 (6-(3-tert-Butyl-ureido)-2-(2-methoxy-5-nitro-benzy...) Show SMILES CCCn1c(SCc2cc(ccc2OC)[N+]([O-])=O)nc2cc(NC(=O)NC(C)(C)C)cc(C(=O)OC)c12 Show InChI InChI=1S/C25H31N5O6S/c1-7-10-29-21-18(22(31)36-6)12-16(26-23(32)28-25(2,3)4)13-19(21)27-24(29)37-14-15-11-17(30(33)34)8-9-20(15)35-5/h8-9,11-13H,7,10,14H2,1-6H3,(H2,26,28,32)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	37	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