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SMILES: Cc1cc2c(cc1Cc1ccc(o1)C(=O)NCC1CCC(CNCc3cc(=O)[nH]c(=O)[nH]3)CC1)C(C)(C)CCC2(C)C

InChI Key: InChIKey=WMOPKFGSRKWBOI-UHFFFAOYSA-N

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 = 50121087   
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


(Homo sapiens (Human))		BDBM50121087
PNG
(5-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphth...)
Show SMILES Cc1cc2c(cc1Cc1ccc(o1)C(=O)NCC1CCC(CNCc3cc(=O)[nH]c(=O)[nH]3)CC1)C(C)(C)CCC2(C)C |(5.32,-14.61,;3.97,-13.84,;2.66,-14.61,;1.33,-13.84,;1.33,-12.3,;2.64,-11.53,;3.97,-12.3,;5.3,-11.51,;6.65,-12.28,;6.67,-13.82,;9.33,-13.77,;9.29,-12.23,;7.96,-11.49,;10.62,-11.44,;10.6,-9.9,;11.97,-12.19,;13.28,-11.39,;14.64,-12.14,;14.65,-13.7,;15.99,-14.44,;17.32,-13.66,;18.67,-14.4,;19.98,-13.61,;21.33,-14.37,;22.66,-13.59,;23.99,-14.33,;25.32,-13.56,;26.65,-14.31,;25.3,-12.02,;23.95,-11.25,;23.92,-9.71,;22.62,-12.05,;17.3,-12.09,;15.94,-11.35,;,-11.53,;-1.35,-10.76,;1.33,-10.74,;-1.32,-12.3,;-1.32,-13.84,;,-14.61,;1.33,-15.38,;-1.35,-15.36,)|
Show InChI InChI=1S/C34H46N4O4/c1-21-14-27-28(34(4,5)13-12-33(27,2)3)16-24(21)15-26-10-11-29(42-26)31(40)36-19-23-8-6-22(7-9-23)18-35-20-25-17-30(39)38-32(41)37-25/h10-11,14,16-17,22-23,35H,6-9,12-13,15,18-20H2,1-5H3,(H,36,40)(H2,37,38,39,41)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents
PubMed
 24n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development-La Jolla/Agouron Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro binding affinity to human gonadotropin-releasing hormone receptor

Bioorg Med Chem Lett 12: 3467-70 (2002)


BindingDB Entry DOI: 10.7270/Q20K27X7
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)		BDBM50121087
PNG
(5-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphth...)
Show SMILES Cc1cc2c(cc1Cc1ccc(o1)C(=O)NCC1CCC(CNCc3cc(=O)[nH]c(=O)[nH]3)CC1)C(C)(C)CCC2(C)C |(5.32,-14.61,;3.97,-13.84,;2.66,-14.61,;1.33,-13.84,;1.33,-12.3,;2.64,-11.53,;3.97,-12.3,;5.3,-11.51,;6.65,-12.28,;6.67,-13.82,;9.33,-13.77,;9.29,-12.23,;7.96,-11.49,;10.62,-11.44,;10.6,-9.9,;11.97,-12.19,;13.28,-11.39,;14.64,-12.14,;14.65,-13.7,;15.99,-14.44,;17.32,-13.66,;18.67,-14.4,;19.98,-13.61,;21.33,-14.37,;22.66,-13.59,;23.99,-14.33,;25.32,-13.56,;26.65,-14.31,;25.3,-12.02,;23.95,-11.25,;23.92,-9.71,;22.62,-12.05,;17.3,-12.09,;15.94,-11.35,;,-11.53,;-1.35,-10.76,;1.33,-10.74,;-1.32,-12.3,;-1.32,-13.84,;,-14.61,;1.33,-15.38,;-1.35,-15.36,)|
Show InChI InChI=1S/C34H46N4O4/c1-21-14-27-28(34(4,5)13-12-33(27,2)3)16-24(21)15-26-10-11-29(42-26)31(40)36-19-23-8-6-22(7-9-23)18-35-20-25-17-30(39)38-32(41)37-25/h10-11,14,16-17,22-23,35H,6-9,12-13,15,18-20H2,1-5H3,(H,36,40)(H2,37,38,39,41)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents
PubMed
 865n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development-La Jolla/Agouron Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to rat gonadotropin-releasing hormone receptor

Bioorg Med Chem Lett 12: 3467-70 (2002)


BindingDB Entry DOI: 10.7270/Q20K27X7
More data for this
Ligand-Target Pair