BDBM50165525 1-tert-Butyl-3-[2-(2-methoxy-5-nitro-benzylsulfanyl)-1-pyridin-4-ylmethyl-1H-benzoimidazol-5-yl]-urea::CHEMBL193689

SMILES: COc1ccc(cc1CSc1nc2cc(NC(=O)NC(C)(C)C)ccc2n1Cc1ccncc1)[N+]([O-])=O

InChI Key: InChIKey=GSINFWLTXWGLOB-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 = 50165525   

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)	BDBM50165525 (1-tert-Butyl-3-[2-(2-methoxy-5-nitro-benzylsulfany...) Show SMILES COc1ccc(cc1CSc1nc2cc(NC(=O)NC(C)(C)C)ccc2n1Cc1ccncc1)[N+]([O-])=O Show InChI InChI=1S/C26H28N6O4S/c1-26(2,3)30-24(33)28-19-5-7-22-21(14-19)29-25(31(22)15-17-9-11-27-12-10-17)37-16-18-13-20(32(34)35)6-8-23(18)36-4/h5-14H,15-16H2,1-4H3,(H2,28,30,33)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	240	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))	BDBM50165525 (1-tert-Butyl-3-[2-(2-methoxy-5-nitro-benzylsulfany...) Show SMILES COc1ccc(cc1CSc1nc2cc(NC(=O)NC(C)(C)C)ccc2n1Cc1ccncc1)[N+]([O-])=O Show InChI InChI=1S/C26H28N6O4S/c1-26(2,3)30-24(33)28-19-5-7-22-21(14-19)29-25(31(22)15-17-9-11-27-12-10-17)37-16-18-13-20(32(34)35)6-8-23(18)36-4/h5-14H,15-16H2,1-4H3,(H2,28,30,33)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	47	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