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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 = 'BDBM50085796'   
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)		BDBM50085796
PNG
(CHEMBL264332 | Gonadotropin Releasing Hormone anal...)
Show SMILES CC(C)C[C@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H]2CCNC(=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/C68H86ClN17O13/c1-36(2)28-49-61(93)79-48(14-8-25-74-68(71)72)67(99)86-27-9-15-55(86)66(98)85-54(58(70)90)35-76-57(89)33-53-65(97)78-47(60(92)82-51(63(95)80-49)31-39-16-19-40-10-4-5-11-41(40)29-39)24-26-73-56(88)23-22-46(77-37(3)87)59(91)81-50(30-38-17-20-43(69)21-18-38)62(94)83-52(64(96)84-53)32-42-34-75-45-13-7-6-12-44(42)45/h4-7,10-13,16-21,29,34,36,46-55,75H,8-9,14-15,22-28,30-33,35H2,1-3H3,(H2,70,90)(H,73,88)(H,76,89)(H,77,87)(H,78,97)(H,79,93)(H,80,95)(H,81,91)(H,82,92)(H,83,94)(H,84,96)(H,85,98)(H4,71,72,74)/t46-,47?,48+,49-,50+,51-,52-,53-,54-,55-/m1/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 1.70n/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