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BDBM50258018 2-(4-tert-butylphenyl)-4-(4-((2-methyl-1H-imidazol-4-yl)methyl)piperazin-1-yl)-1H-benzo[d]imidazole::CHEMBL494400

SMILES: Cc1ncc(CN2CCN(CC2)c2cccc3[nH]c(nc23)-c2ccc(cc2)C(C)(C)C)[nH]1

InChI Key: InChIKey=YZHWAWRQSQQTQX-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50258018   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50258018
PNG
(2-(4-tert-butylphenyl)-4-(4-((2-methyl-1H-imidazol...)
Show SMILES Cc1ncc(CN2CCN(CC2)c2cccc3[nH]c(nc23)-c2ccc(cc2)C(C)(C)C)[nH]1
Show InChI InChI=1S/C26H32N6/c1-18-27-16-21(28-18)17-31-12-14-32(15-13-31)23-7-5-6-22-24(23)30-25(29-22)19-8-10-20(11-9-19)26(2,3)4/h5-11,16H,12-15,17H2,1-4H3,(H,27,28)(H,29,30)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 28n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [125I]-(D-Trp6)-GnRH from rat GnRH receptor


Bioorg Med Chem Lett 19: 1986-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.043
BindingDB Entry DOI: 10.7270/Q28S4PS4
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50258018
PNG
(2-(4-tert-butylphenyl)-4-(4-((2-methyl-1H-imidazol...)
Show SMILES Cc1ncc(CN2CCN(CC2)c2cccc3[nH]c(nc23)-c2ccc(cc2)C(C)(C)C)[nH]1
Show InChI InChI=1S/C26H32N6/c1-18-27-16-21(28-18)17-31-12-14-32(15-13-31)23-7-5-6-22-24(23)30-25(29-22)19-8-10-20(11-9-19)26(2,3)4/h5-11,16H,12-15,17H2,1-4H3,(H,27,28)(H,29,30)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 44n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant GnRH receptor expressed in HEK293 cells assessed as reduction in (D-Trp6)-GnRH-stimulated IP production by w...


Bioorg Med Chem Lett 19: 1986-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.043
BindingDB Entry DOI: 10.7270/Q28S4PS4
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50258018
PNG
(2-(4-tert-butylphenyl)-4-(4-((2-methyl-1H-imidazol...)
Show SMILES Cc1ncc(CN2CCN(CC2)c2cccc3[nH]c(nc23)-c2ccc(cc2)C(C)(C)C)[nH]1
Show InChI InChI=1S/C26H32N6/c1-18-27-16-21(28-18)17-31-12-14-32(15-13-31)23-7-5-6-22-24(23)30-25(29-22)19-8-10-20(11-9-19)26(2,3)4/h5-11,16H,12-15,17H2,1-4H3,(H,27,28)(H,29,30)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7.5n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [125I]-(D-Trp6)-GnRH from human GnRH receptor


Bioorg Med Chem Lett 19: 1986-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.043
BindingDB Entry DOI: 10.7270/Q28S4PS4
More data for this
Ligand-Target Pair