BDBM50244176 5-({4-[2-(4-tert-Butylphenyl)-1H-benzimidazol-4-yl]piperazin-1-yl}methyl)-1,4-dihydroquinoxaline-2,3-dione::CHEMBL517881

SMILES: CC(C)(C)c1ccc(cc1)-c1nc2c(cccc2[nH]1)N1CCN(Cc2cccc3[nH]c(=O)c(=O)[nH]c23)CC1

InChI Key: InChIKey=CLQLJTQBIWNDOX-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50244176   

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 1 (GnRHR1) (Homo sapiens (Human))	BDBM50244176 (5-({4-[2-(4-tert-Butylphenyl)-1H-benzimidazol-4-yl...) Show SMILES CC(C)(C)c1ccc(cc1)-c1nc2c(cccc2[nH]1)N1CCN(Cc2cccc3[nH]c(=O)c(=O)[nH]c23)CC1 Show InChI InChI=1S/C30H32N6O2/c1-30(2,3)21-12-10-19(11-13-21)27-31-23-8-5-9-24(26(23)33-27)36-16-14-35(15-17-36)18-20-6-4-7-22-25(20)34-29(38)28(37)32-22/h4-13H,14-18H2,1-3H3,(H,31,33)(H,32,37)(H,34,38)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.70	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [125I]-(D-Trp6)LHRH from human recombinant GnRH receptor				Bioorg Med Chem 16: 6617-40 (2008) Article DOI: 10.1016/j.bmc.2008.05.024 BindingDB Entry DOI: 10.7270/Q2FB52Q7
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Rattus norvegicus)	BDBM50244176 (5-({4-[2-(4-tert-Butylphenyl)-1H-benzimidazol-4-yl...) Show SMILES CC(C)(C)c1ccc(cc1)-c1nc2c(cccc2[nH]1)N1CCN(Cc2cccc3[nH]c(=O)c(=O)[nH]c23)CC1 Show InChI InChI=1S/C30H32N6O2/c1-30(2,3)21-12-10-19(11-13-21)27-31-23-8-5-9-24(26(23)33-27)36-16-14-35(15-17-36)18-20-6-4-7-22-25(20)34-29(38)28(37)32-22/h4-13H,14-18H2,1-3H3,(H,31,33)(H,32,37)(H,34,38)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	480	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Antagonist activity at recombinant GnRH receptor in CO2 asphyxiated rat primary pituitary cells assessed as reduction in (D-Trp6)LHRH-induced LH rele...				Bioorg Med Chem 16: 6617-40 (2008) Article DOI: 10.1016/j.bmc.2008.05.024 BindingDB Entry DOI: 10.7270/Q2FB52Q7
					More data for this Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1) (Homo sapiens (Human))	BDBM50244176 (5-({4-[2-(4-tert-Butylphenyl)-1H-benzimidazol-4-yl...) Show SMILES CC(C)(C)c1ccc(cc1)-c1nc2c(cccc2[nH]1)N1CCN(Cc2cccc3[nH]c(=O)c(=O)[nH]c23)CC1 Show InChI InChI=1S/C30H32N6O2/c1-30(2,3)21-12-10-19(11-13-21)27-31-23-8-5-9-24(26(23)33-27)36-16-14-35(15-17-36)18-20-6-4-7-22-25(20)34-29(38)28(37)32-22/h4-13H,14-18H2,1-3H3,(H,31,33)(H,32,37)(H,34,38)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Antagonist activity at human recombinant GnRH receptor assessed as reduction in (D-Trp6)LHRH-induced myo-(1,2)-[3H]inositol production				Bioorg Med Chem 16: 6617-40 (2008) Article DOI: 10.1016/j.bmc.2008.05.024 BindingDB Entry DOI: 10.7270/Q2FB52Q7
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Rattus norvegicus)	BDBM50244176 (5-({4-[2-(4-tert-Butylphenyl)-1H-benzimidazol-4-yl...) Show SMILES CC(C)(C)c1ccc(cc1)-c1nc2c(cccc2[nH]1)N1CCN(Cc2cccc3[nH]c(=O)c(=O)[nH]c23)CC1 Show InChI InChI=1S/C30H32N6O2/c1-30(2,3)21-12-10-19(11-13-21)27-31-23-8-5-9-24(26(23)33-27)36-16-14-35(15-17-36)18-20-6-4-7-22-25(20)34-29(38)28(37)32-22/h4-13H,14-18H2,1-3H3,(H,31,33)(H,32,37)(H,34,38)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	72	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [125I]-(D-Trp6)LHRH from rat recombinant GnRH receptor				Bioorg Med Chem 16: 6617-40 (2008) Article DOI: 10.1016/j.bmc.2008.05.024 BindingDB Entry DOI: 10.7270/Q2FB52Q7
					More data for this Ligand-Target Pair