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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 = 'BDBM50085775'   
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)		BDBM50085775
PNG
(CHEMBL410779 | Gonadotropin Releasing Hormone anal...)
Show SMILES CC(C)C[C@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H]2CCNC(=O)CNC(=O)C[C@@H](NC(C)=O)C(=O)N[C@@H](Cc3ccc(Cl)cc3)C(=O)N[C@H](Cc3ccc4ccccc4c3)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/C71H88ClN17O14/c1-38(2)28-50-63(96)82-49(14-8-25-77-71(74)75)70(103)89-27-9-15-57(89)69(102)88-56(61(73)94)36-78-58(91)35-55-68(101)81-48(62(95)84-52(65(98)83-50)32-41-16-20-43-10-4-6-12-45(43)29-41)24-26-76-60(93)37-79-59(92)34-54(80-39(3)90)67(100)85-51(31-40-18-22-47(72)23-19-40)64(97)86-53(66(99)87-55)33-42-17-21-44-11-5-7-13-46(44)30-42/h4-7,10-13,16-23,29-30,38,48-57H,8-9,14-15,24-28,31-37H2,1-3H3,(H2,73,94)(H,76,93)(H,78,91)(H,79,92)(H,80,90)(H,81,101)(H,82,96)(H,83,98)(H,84,95)(H,85,100)(H,86,97)(H,87,99)(H,88,102)(H4,74,75,77)/t48-,49+,50-,51+,52-,53-,54-,55-,56-,57-/m1/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 0.380n/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