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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 = 'BDBM50470113'   
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)		BDBM50470113
PNG
(CHEMBL439134)
Show SMILES CCNC(=O)[C@H]1CCCN1C(=O)[C@H](CCCCNC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CCCCNC(=O)c1cccnc1)NC(=O)[C@H](Cc1ccc(O)cc1)N(C)C(=O)[C@H](CO)NC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)CCc1ccc(F)cc1
Show InChI InChI=1S/C69H92FN11O11/c1-7-72-66(89)59-24-16-38-81(59)69(92)55(23-11-12-36-73-45(4)5)77-64(87)56(39-44(2)3)78-63(86)54(22-10-13-37-74-62(85)50-20-15-35-71-42-50)76-67(90)60(40-47-27-32-52(83)33-28-47)80(6)68(91)58(43-82)79-65(88)57(41-49-19-14-18-48-17-8-9-21-53(48)49)75-61(84)34-29-46-25-30-51(70)31-26-46/h8-9,14-15,17-21,25-28,30-33,35,42,44-45,54-60,73,82-83H,7,10-13,16,22-24,29,34,36-41,43H2,1-6H3,(H,72,89)(H,74,85)(H,75,84)(H,76,90)(H,77,87)(H,78,86)(H,79,88)/t54-,55+,56+,57+,58+,59-,60+/m1/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 0.00200n/an/an/an/an/an/an/an/a



TAP Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of the in vitro binding of [125I]-labeled leuprolide to the rat pituitary luteinizing hormone releasing hormone (LHRH) receptor.

J Med Chem 37: 701-5 (1994)


Article DOI: 10.1021/jm00031a021
BindingDB Entry DOI: 10.7270/Q2MG7S7B
More data for this
Ligand-Target Pair