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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 = 'BDBM50085732'   
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)		BDBM50085732
PNG
(CHEMBL406094 | 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)C2CCCNC(=O)C(Cc3ccccc3)NC(=O)CC[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/C66H91ClN18O14/c1-5-42(75-37(4)86)57(91)81-48(31-39-19-21-41(67)22-20-39)61(95)82-49(32-40-15-9-25-71-34-40)62(96)83-50-33-54(88)74-35-51(55(68)89)84-64(98)52-18-12-28-85(52)65(99)45-17-11-26-72-56(90)47(30-38-13-7-6-8-14-38)76-53(87)24-23-44(78-63(50)97)59(93)77-43(16-10-27-73-66(69)70)58(92)80-46(29-36(2)3)60(94)79-45/h6-9,13-15,19-22,25,34,36,42-52H,5,10-12,16-18,23-24,26-33,35H2,1-4H3,(H2,68,89)(H,72,90)(H,74,88)(H,75,86)(H,76,87)(H,77,93)(H,78,97)(H,79,94)(H,80,92)(H,81,91)(H,82,95)(H,83,96)(H,84,98)(H4,69,70,73)/t42-,43-,44-,45?,46+,47?,48-,49-,50-,51?,52-/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 0.270n/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