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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 = 'BDBM50085722'   
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)		BDBM50085722
PNG
(CHEMBL413896 | 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)CNC(=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/C57H81ClN18O14/c1-5-34(67-30(4)77)48(82)71-38(22-31-12-14-33(58)15-13-31)51(85)72-39(23-32-9-6-17-62-26-32)52(86)73-41-24-44(78)65-27-42(47(59)81)75-55(89)43-11-8-20-76(43)56(90)36-16-19-63-46(80)28-66-45(79)25-40(74-54(41)88)53(87)68-35(10-7-18-64-57(60)61)49(83)70-37(21-29(2)3)50(84)69-36/h6,9,12-15,17,26,29,34-43H,5,7-8,10-11,16,18-25,27-28H2,1-4H3,(H2,59,81)(H,63,80)(H,65,78)(H,66,79)(H,67,77)(H,68,87)(H,69,84)(H,70,83)(H,71,82)(H,72,85)(H,73,86)(H,74,88)(H,75,89)(H4,60,61,64)/t34-,35+,36?,37+,38-,39-,40+,41+,42?,43+/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 0.350n/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