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BDBM50469859 A-75998::CHEMBL263839

SMILES: CC(C)C[C@H](NC(=O)[C@H](CCCC(N)C(=O)c1ccncc1)NC(=O)[C@H](Cc1ccc(O)cc1)N(C)C(=O)[C@H](CO)NC(=O)[C@H](Cc1cccnc1)NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(C)=O)C(=O)N[C@@H](CCCC(N)C(C)C)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](C)C(N)=O

InChI Key: InChIKey=WGWPBHBZVYAVTQ-HQDLIPOVSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50469859   
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)		BDBM50469859
PNG
(A-75998 | CHEMBL263839)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCC(N)C(=O)c1ccncc1)NC(=O)[C@H](Cc1ccc(O)cc1)N(C)C(=O)[C@H](CO)NC(=O)[C@H](Cc1cccnc1)NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(C)=O)C(=O)N[C@@H](CCCC(N)C(C)C)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](C)C(N)=O
Show InChI InChI=1S/C80H104ClN15O14/c1-46(2)38-63(73(103)90-62(20-10-17-59(82)47(3)4)80(110)96-37-13-21-68(96)77(107)87-48(5)71(84)101)91-72(102)61(19-11-18-60(83)70(100)55-32-35-85-36-33-55)89-78(108)69(43-51-25-30-58(99)31-26-51)95(7)79(109)67(45-97)94-76(106)66(42-53-14-12-34-86-44-53)93-75(105)65(40-50-23-28-57(81)29-24-50)92-74(104)64(88-49(6)98)41-52-22-27-54-15-8-9-16-56(54)39-52/h8-9,12,14-16,22-36,39,44,46-48,59-69,97,99H,10-11,13,17-21,37-38,40-43,45,82-83H2,1-7H3,(H2,84,101)(H,87,107)(H,88,98)(H,89,108)(H,90,103)(H,91,102)(H,92,104)(H,93,105)(H,94,106)/t48-,59?,60?,61-,62-,63-,64-,65-,66-,67-,68+,69-/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 0.0316n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
The negative logarithm of the concentration of antagonist that inhibits 50% of the binding of 125 I-labeled leuprolide to the rat pituitary LHRH rece...

J Med Chem 36: 928-33 (1993)


Article DOI: 10.1021/jm00059a020
BindingDB Entry DOI: 10.7270/Q2Z03BW7
More data for this
Ligand-Target Pair