BDBM50243700 4-(2-(4-(2-(trifluoromethyl)-1H-benzo[d]imidazol-4-yl)piperazin-1-yl)ethoxy)-1H-benzo[d]imidazole-2(3H)-thione::CHEMBL512893

SMILES: FC(F)(F)c1nc2c(cccc2[nH]1)N1CCN(CCOc2cccc3[nH]c(=S)[nH]c23)CC1

InChI Key: InChIKey=ZPFVOMYXTKCCLP-UHFFFAOYSA-N

Data: 1 KI  5 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 6 hits for monomerid = 50243700   

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
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50243700 (4-(2-(4-(2-(trifluoromethyl)-1H-benzo[d]imidazol-4...) Show SMILES FC(F)(F)c1nc2c(cccc2[nH]1)N1CCN(CCOc2cccc3[nH]c(=S)[nH]c23)CC1 Show InChI InChI=1S/C21H21F3N6OS/c22-21(23,24)19-25-13-3-1-5-15(17(13)27-19)30-9-7-29(8-10-30)11-12-31-16-6-2-4-14-18(16)28-20(32)26-14/h1-6H,7-12H2,(H,25,27)(H2,26,28,32)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Binding affinity to human 5HT1A 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 1 (GnRHR1) (Homo sapiens (Human))	BDBM50243700 (4-(2-(4-(2-(trifluoromethyl)-1H-benzo[d]imidazol-4...) Show SMILES FC(F)(F)c1nc2c(cccc2[nH]1)N1CCN(CCOc2cccc3[nH]c(=S)[nH]c23)CC1 Show InChI InChI=1S/C21H21F3N6OS/c22-21(23,24)19-25-13-3-1-5-15(17(13)27-19)30-9-7-29(8-10-30)11-12-31-16-6-2-4-14-18(16)28-20(32)26-14/h1-6H,7-12H2,(H,25,27)(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	790	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)	BDBM50243700 (4-(2-(4-(2-(trifluoromethyl)-1H-benzo[d]imidazol-4...) Show SMILES FC(F)(F)c1nc2c(cccc2[nH]1)N1CCN(CCOc2cccc3[nH]c(=S)[nH]c23)CC1 Show InChI InChI=1S/C21H21F3N6OS/c22-21(23,24)19-25-13-3-1-5-15(17(13)27-19)30-9-7-29(8-10-30)11-12-31-16-6-2-4-14-18(16)28-20(32)26-14/h1-6H,7-12H2,(H,25,27)(H2,26,28,32)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.60E+4	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))	BDBM50243700 (4-(2-(4-(2-(trifluoromethyl)-1H-benzo[d]imidazol-4...) Show SMILES FC(F)(F)c1nc2c(cccc2[nH]1)N1CCN(CCOc2cccc3[nH]c(=S)[nH]c23)CC1 Show InChI InChI=1S/C21H21F3N6OS/c22-21(23,24)19-25-13-3-1-5-15(17(13)27-19)30-9-7-29(8-10-30)11-12-31-16-6-2-4-14-18(16)28-20(32)26-14/h1-6H,7-12H2,(H,25,27)(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	4.50E+3	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 1 (GnRHR1) (Homo sapiens (Human))	BDBM50243700 (4-(2-(4-(2-(trifluoromethyl)-1H-benzo[d]imidazol-4...) Show SMILES FC(F)(F)c1nc2c(cccc2[nH]1)N1CCN(CCOc2cccc3[nH]c(=S)[nH]c23)CC1 Show InChI InChI=1S/C21H21F3N6OS/c22-21(23,24)19-25-13-3-1-5-15(17(13)27-19)30-9-7-29(8-10-30)11-12-31-16-6-2-4-14-18(16)28-20(32)26-14/h1-6H,7-12H2,(H,25,27)(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	800	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc Curated by ChEMBL					Assay Description Binding affinity at human GnRH receptor by competition binding assay				J Med Chem 51: 3331-48 (2008) Article DOI: 10.1021/jm701249f BindingDB Entry DOI: 10.7270/Q2KD1XQ0
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Rattus norvegicus)	BDBM50243700 (4-(2-(4-(2-(trifluoromethyl)-1H-benzo[d]imidazol-4...) Show SMILES FC(F)(F)c1nc2c(cccc2[nH]1)N1CCN(CCOc2cccc3[nH]c(=S)[nH]c23)CC1 Show InChI InChI=1S/C21H21F3N6OS/c22-21(23,24)19-25-13-3-1-5-15(17(13)27-19)30-9-7-29(8-10-30)11-12-31-16-6-2-4-14-18(16)28-20(32)26-14/h1-6H,7-12H2,(H,25,27)(H2,26,28,32)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.10E+4	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