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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 = 'BDBM50085797'   
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)		BDBM50085797
PNG
(CHEMBL407361 | Gonadotropin Releasing Hormone anal...)
Show SMILES CC(C)C[C@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H]2CCNC(=O)[C@@H](C)NC(=O)CC[C@@H](NC(C)=O)C(=O)N[C@@H](Cc3ccc(Cl)cc3)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)N2
Show InChI InChI=1S/C71H91ClN18O14/c1-37(2)29-51-64(98)83-50(15-9-26-77-71(74)75)70(104)90-28-10-16-57(90)69(103)89-56(60(73)94)36-79-59(93)34-55-68(102)82-49(63(97)86-53(66(100)84-51)32-41-17-20-42-11-5-6-12-43(42)30-41)25-27-76-61(95)38(3)80-58(92)24-23-48(81-39(4)91)62(96)85-52(31-40-18-21-45(72)22-19-40)65(99)87-54(67(101)88-55)33-44-35-78-47-14-8-7-13-46(44)47/h5-8,11-14,17-22,30,35,37-38,48-57,78H,9-10,15-16,23-29,31-34,36H2,1-4H3,(H2,73,94)(H,76,95)(H,79,93)(H,80,92)(H,81,91)(H,82,102)(H,83,98)(H,84,100)(H,85,96)(H,86,97)(H,87,99)(H,88,101)(H,89,103)(H4,74,75,77)/t38-,48-,49-,50+,51-,52+,53-,54-,55-,56-,57-/m1/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 0.220n/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