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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 = 'BDBM50085782'   
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)		BDBM50085782
PNG
(CHEMBL385505 | Gonadotropin Releasing Hormone anal...)
Show SMILES CC(C)C[C@H]1NC(=O)[C@@H](Cc2cccnc2)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](Cc3cccnc3)C(=O)N[C@H](CC(=O)NC[C@@H](NC(=O)[C@H]3CCCN3C(=O)[C@H](CCCCN)N(C(C)C)C1=O)C(N)=O)C(=O)N2
Show InChI InChI=1S/C64H88ClN17O14/c1-35(2)25-48-63(95)82(36(3)4)51(13-6-7-20-66)64(96)81-24-10-14-50(81)62(94)80-49(55(67)87)33-71-52(84)30-47-61(93)74-42(56(88)75-45(59(91)79-48)28-40-12-9-22-69-32-40)19-23-70-54(86)34-72-53(85)29-46(73-37(5)83)60(92)76-43(26-38-15-17-41(65)18-16-38)57(89)77-44(58(90)78-47)27-39-11-8-21-68-31-39/h8-9,11-12,15-18,21-22,31-32,35-36,42-51H,6-7,10,13-14,19-20,23-30,33-34,66H2,1-5H3,(H2,67,87)(H,70,86)(H,71,84)(H,72,85)(H,73,83)(H,74,93)(H,75,88)(H,76,92)(H,77,89)(H,78,90)(H,79,91)(H,80,94)/t42-,43+,44-,45-,46-,47-,48-,49-,50-,51+/m1/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 2.80n/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