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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Gonadotropin-releasing hormone receptor' and Ligand = 'BDBM50085807'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50085807
PNG
(CHEMBL425966 | Gonadotropin Releasing Hormone anal...)
Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CCC(=O)NCC(=O)NCC[C@@H](NC1=O)C(=O)N1CCC[C@H]1C(=O)NC(CNC(=O)C[C@H](NC(=O)[C@@H](Cc1cccnc1)NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)[C@@H](Cc1ccc3ccccc3c1)NC(C)=O)C(=O)N2)C(N)=O
Show InChI InChI=1S/C67H87FN18O14/c1-36(2)27-47-60(94)80-46-22-25-73-56(90)35-76-54(88)21-20-45(59(93)78-44(58(92)81-47)12-7-24-74-67(70)71)79-64(98)51(32-55(89)75-34-52(57(69)91)85-65(99)53-13-8-26-86(53)66(46)100)84-63(97)50(31-40-9-6-23-72-33-40)83-62(96)49(29-38-15-18-43(68)19-16-38)82-61(95)48(77-37(3)87)30-39-14-17-41-10-4-5-11-42(41)28-39/h4-6,9-11,14-19,23,28,33,36,44-53H,7-8,12-13,20-22,24-27,29-32,34-35H2,1-3H3,(H2,69,91)(H,73,90)(H,75,89)(H,76,88)(H,77,87)(H,78,93)(H,79,98)(H,80,94)(H,81,92)(H,82,95)(H,83,96)(H,84,97)(H,85,99)(H4,70,71,74)/t44-,45-,46+,47-,48+,49-,50+,51-,52?,53-/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
0.120n/an/an/an/an/an/an/an/a



Salk Institute

Curated by ChEMBL


Assay Description
Affinity for rat gonadotrophin releasing hormone (GnRH) receptor using HEK-293 cells transfected with rat Gonadotropin-releasing hormone receptor


J Med Chem 43: 807-18 (2000)


BindingDB Entry DOI: 10.7270/Q28P5ZQW
More data for this
Ligand-Target Pair