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BDBM50121097 4-({[5-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphthalen-2-ylmethyl)-furan-2-carbonyl]-amino}-methyl)-piperidine-1-carboxylic acid tert-butyl ester::CHEMBL323863

SMILES: Cc1cc2c(cc1Cc1ccc(o1)C(=O)NCC1CCN(CC1)C(=O)OC(C)(C)C)C(C)(C)CCC2(C)C

InChI Key: InChIKey=MMOKCJZUBNVUIA-UHFFFAOYSA-N

Data: 2 KI

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 = 50121097   
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 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50121097
PNG
(4-({[5-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-n...)
Show SMILES Cc1cc2c(cc1Cc1ccc(o1)C(=O)NCC1CCN(CC1)C(=O)OC(C)(C)C)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C32H46N2O4/c1-21-17-25-26(32(7,8)14-13-31(25,5)6)19-23(21)18-24-9-10-27(37-24)28(35)33-20-22-11-15-34(16-12-22)29(36)38-30(2,3)4/h9-10,17,19,22H,11-16,18,20H2,1-8H3,(H,33,35)
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
54n/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)
BDBM50121097
PNG
(4-({[5-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-n...)
Show SMILES Cc1cc2c(cc1Cc1ccc(o1)C(=O)NCC1CCN(CC1)C(=O)OC(C)(C)C)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C32H46N2O4/c1-21-17-25-26(32(7,8)14-13-31(25,5)6)19-23(21)18-24-9-10-27(37-24)28(35)33-20-22-11-15-34(16-12-22)29(36)38-30(2,3)4/h9-10,17,19,22H,11-16,18,20H2,1-8H3,(H,33,35)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
3.26E+3n/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