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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 = 'BDBM50085800'   
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)		BDBM50085800
PNG
(CHEMBL410357 | Gonadotropin Releasing Hormone anal...)
Show SMILES CC(C)C[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CC(=O)NC[C@@H](NC(=O)[C@@H]3CCCN3C(=O)[C@H](CCCCNC(=O)CC[C@H](NC(C)=O)C(=O)N[C@@H](Cc3ccc(Cl)cc3)C(=O)N[C@H](Cc3cccnc3)C(=O)N2)NC1=O)C(N)=O
Show InChI InChI=1S/C67H88ClN17O13/c1-37(2)29-48-60(92)78-47-14-6-7-26-73-55(87)24-23-46(76-38(3)86)59(91)80-49(31-39-18-21-44(68)22-19-39)61(93)82-51(33-41-11-8-25-72-35-41)63(95)83-52(34-56(88)75-36-53(57(69)89)84-65(97)54-16-10-28-85(54)66(47)98)64(96)77-45(15-9-27-74-67(70)71)58(90)81-50(62(94)79-48)32-40-17-20-42-12-4-5-13-43(42)30-40/h4-5,8,11-13,17-22,25,30,35,37,45-54H,6-7,9-10,14-16,23-24,26-29,31-34,36H2,1-3H3,(H2,69,89)(H,73,87)(H,75,88)(H,76,86)(H,77,96)(H,78,92)(H,79,94)(H,80,91)(H,81,90)(H,82,93)(H,83,95)(H,84,97)(H4,70,71,74)/t45-,46-,47-,48-,49-,50+,51+,52-,53+,54-/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 1.10n/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