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SMILES: Cc1cc2c(cc1Cc1ccc(o1)C(=O)NCc1cccc(CNc3cc(Cl)nc(N)n3)c1)C(C)(C)CCC2(C)C

InChI Key: InChIKey=ICPBJVSPUPQSIT-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 = 50121467   
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))
BDBM50121467
PNG
(5-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphth...)
Show SMILES Cc1cc2c(cc1Cc1ccc(o1)C(=O)NCc1cccc(CNc3cc(Cl)nc(N)n3)c1)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C33H38ClN5O2/c1-20-13-25-26(33(4,5)12-11-32(25,2)3)16-23(20)15-24-9-10-27(41-24)30(40)37-19-22-8-6-7-21(14-22)18-36-29-17-28(34)38-31(35)39-29/h6-10,13-14,16-17H,11-12,15,18-19H2,1-5H3,(H,37,40)(H3,35,36,38,39)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
35n/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)
BDBM50121467
PNG
(5-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphth...)
Show SMILES Cc1cc2c(cc1Cc1ccc(o1)C(=O)NCc1cccc(CNc3cc(Cl)nc(N)n3)c1)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C33H38ClN5O2/c1-20-13-25-26(33(4,5)12-11-32(25,2)3)16-23(20)15-24-9-10-27(41-24)30(40)37-19-22-8-6-7-21(14-22)18-36-29-17-28(34)38-31(35)39-29/h6-10,13-14,16-17H,11-12,15,18-19H2,1-5H3,(H,37,40)(H3,35,36,38,39)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
380n/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