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BDBM50085709 CHEMBL428317::Cyclo (5-8) [Ac-D Nal, D Cpa, D Trp, Asp, Glu, D Nal, Leu, Lys, Pro, Dpr]GnRH

SMILES: CC[C@H](NC(C)=O)C(=O)N[C@@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H]1CCC(=O)NCCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC)NC1=O)C(=O)N1CCC[C@@H]1C(=O)NC(CN)C(N)=O

InChI Key: InChIKey=DYKKCKIHAJCYED-IYHWUATBSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50085709   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)		BDBM50085709
PNG
(CHEMBL428317 | Cyclo (5-8) [Ac-D Nal, D Cpa, D Trp...)
Show SMILES CC[C@H](NC(C)=O)C(=O)N[C@@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H]1CCC(=O)NCCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC)NC1=O)C(=O)N1CCC[C@@H]1C(=O)NC(CN)C(N)=O
Show InChI InChI=1S/C59H83ClN14O14/c1-6-37(65-32(5)75)51(80)70-43(26-33-17-19-35(60)20-18-33)55(84)71-44(27-34-30-64-39-14-9-8-13-36(34)39)56(85)72-45(28-49(77)78)57(86)67-40-21-22-48(76)63-23-11-10-15-41(59(88)74-24-12-16-47(74)58(87)73-46(29-61)50(62)79)68-54(83)42(25-31(3)4)69-52(81)38(7-2)66-53(40)82/h8-9,13-14,17-20,30-31,37-38,40-47,64H,6-7,10-12,15-16,21-29,61H2,1-5H3,(H2,62,79)(H,63,76)(H,65,75)(H,66,82)(H,67,86)(H,68,83)(H,69,81)(H,70,80)(H,71,84)(H,72,85)(H,73,87)(H,77,78)/t37-,38+,40+,41-,42-,43-,44-,45-,46?,47+/m0/s1
KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars
PubMed
 1n/an/an/an/an/an/an/an/a



Salk Institute

Curated by ChEMBL


Assay Description
Competitive radioligand binding assay, in human HEK-293 cells stably transfected with the rat Gonadotropin-releasing hormone receptor

J Med Chem 43: 784-96 (2000)


BindingDB Entry DOI: 10.7270/Q2J38RS2
More data for this
Ligand-Target Pair