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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 = 'BDBM50085794'   
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)		BDBM50085794
PNG
(CHEMBL412504 | Gonadotropin Releasing Hormone anal...)
Show SMILES CC(C)C[C@@H]1NC(=O)[C@@H]2CNC(=O)CNC(=O)C[C@H](NC(=O)[C@@H](Cc3ccc4ccccc4c3)NC(C)=O)C(=O)N[C@H](Cc3c[nH]c4ccccc34)C(=O)N[C@@H](CC(=O)NC[C@H](NC(=O)[C@@H]3CCCN3C(=O)[C@H](CCCNC(N)=N)NC1=O)C(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N2
Show InChI InChI=1S/C68H86N18O15/c1-35(2)24-46-59(93)78-45(14-8-22-72-68(70)71)67(101)86-23-9-15-54(86)66(100)84-52(58(69)92)32-74-55(89)29-50-63(97)80-48(26-37-17-20-42(88)21-18-37)61(95)85-53(65(99)79-46)33-75-57(91)34-76-56(90)30-51(64(98)81-49(62(96)83-50)28-41-31-73-44-13-7-6-12-43(41)44)82-60(94)47(77-36(3)87)27-38-16-19-39-10-4-5-11-40(39)25-38/h4-7,10-13,16-21,25,31,35,45-54,73,88H,8-9,14-15,22-24,26-30,32-34H2,1-3H3,(H2,69,92)(H,74,89)(H,75,91)(H,76,90)(H,77,87)(H,78,93)(H,79,99)(H,80,97)(H,81,98)(H,82,94)(H,83,96)(H,84,100)(H,85,95)(H4,70,71,72)/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
 490n/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