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BDBM50121469 5-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphthalen-2-ylmethyl)-furan-2-carboxylic acid 3-[(2-amino-6-methyl-pyrimidin-4-ylamino)-methyl]-benzylamide::CHEMBL120048

SMILES: Cc1cc(NCc2cccc(CNC(=O)c3ccc(Cc4cc5c(cc4C)C(C)(C)CCC5(C)C)o3)c2)nc(N)n1

InChI Key: InChIKey=LDBQTNQSCCQVQN-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 = 50121469   
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))
BDBM50121469
PNG
(5-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphth...)
Show SMILES Cc1cc(NCc2cccc(CNC(=O)c3ccc(Cc4cc5c(cc4C)C(C)(C)CCC5(C)C)o3)c2)nc(N)n1
Show InChI InChI=1S/C34H41N5O2/c1-21-14-27-28(34(5,6)13-12-33(27,3)4)18-25(21)17-26-10-11-29(41-26)31(40)37-20-24-9-7-8-23(16-24)19-36-30-15-22(2)38-32(35)39-30/h7-11,14-16,18H,12-13,17,19-20H2,1-6H3,(H,37,40)(H3,35,36,38,39)
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
29n/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 towards human gonadotropin-releasing hormone receptor


Bioorg Med Chem Lett 12: 3635-9 (2002)


BindingDB Entry DOI: 10.7270/Q2XK8DXZ
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50121469
PNG
(5-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphth...)
Show SMILES Cc1cc(NCc2cccc(CNC(=O)c3ccc(Cc4cc5c(cc4C)C(C)(C)CCC5(C)C)o3)c2)nc(N)n1
Show InChI InChI=1S/C34H41N5O2/c1-21-14-27-28(34(5,6)13-12-33(27,3)4)18-25(21)17-26-10-11-29(41-26)31(40)37-20-24-9-7-8-23(16-24)19-36-30-15-22(2)38-32(35)39-30/h7-11,14-16,18H,12-13,17,19-20H2,1-6H3,(H,37,40)(H3,35,36,38,39)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
55n/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 towards rat gonadotropin-releasing hormone receptor


Bioorg Med Chem Lett 12: 3635-9 (2002)


BindingDB Entry DOI: 10.7270/Q2XK8DXZ
More data for this
Ligand-Target Pair