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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 = 'BDBM50085729'   
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)
BDBM50085729
PNG
(CHEMBL438902 | DiCyclo (4-10/5,5'-8) [Ac-D Nal, D ...)
Show SMILES CC[C@H](NC(C)=O)C(=O)N[C@@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H](Cc1cccnc1)C(=O)N[C@H]1CC(=O)NCC(NC(=O)[C@@H]2CCCN2C(=O)C2CCNC(=O)CCNC(=O)C[C@H](NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](CC(C)C)C(=O)N2)C(N)=O
Show InChI InChI=1S/C58H83ClN18O14/c1-5-35(68-31(4)78)49(83)72-39(24-32-12-14-34(59)15-13-32)52(86)73-40(25-33-9-6-18-63-28-33)53(87)74-42-27-47(81)67-29-43(48(60)82)76-56(90)44-11-8-22-77(44)57(91)37-16-20-64-45(79)17-21-65-46(80)26-41(75-55(42)89)54(88)69-36(10-7-19-66-58(61)62)50(84)71-38(23-30(2)3)51(85)70-37/h6,9,12-15,18,28,30,35-44H,5,7-8,10-11,16-17,19-27,29H2,1-4H3,(H2,60,82)(H,64,79)(H,65,80)(H,67,81)(H,68,78)(H,69,88)(H,70,85)(H,71,84)(H,72,83)(H,73,86)(H,74,87)(H,75,89)(H,76,90)(H4,61,62,66)/t35-,36-,37?,38+,39-,40-,41-,42-,43?,44-/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
0.370n/an/an/an/an/an/an/an/a



Salk Institute

Curated by ChEMBL


Assay Description
Competitive radioligand binding assay, in human HEK-293 cells stably transfected with the rat Gonadotropin-releasing hormone receptor


J Med Chem 43: 784-96 (2000)


BindingDB Entry DOI: 10.7270/Q2J38RS2
More data for this
Ligand-Target Pair