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BDBM50085771 CHEMBL436657::Gonadotropin Releasing Hormone analogue

SMILES: CC(C)C[C@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H]2CSSC[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

InChI Key: InChIKey=XWYPVGOTVVCWHC-YUNRZXKTSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50085771   
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)		BDBM50085771
PNG
(CHEMBL436657 | Gonadotropin Releasing Hormone anal...)
Show SMILES CC(C)C[C@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H]2CSSC[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/C65H81ClN16O12S2/c1-34(2)24-45-56(86)74-44(14-8-22-70-65(68)69)64(94)82-23-9-15-53(82)63(93)80-50(55(67)85)31-72-54(84)29-49-60(90)81-52(62(92)77-47(58(88)75-45)27-37-16-19-38-10-4-5-11-39(38)25-37)33-96-95-32-51(73-35(3)83)61(91)76-46(26-36-17-20-41(66)21-18-36)57(87)78-48(59(89)79-49)28-40-30-71-43-13-7-6-12-42(40)43/h4-7,10-13,16-21,25,30,34,44-53,71H,8-9,14-15,22-24,26-29,31-33H2,1-3H3,(H2,67,85)(H,72,84)(H,73,83)(H,74,86)(H,75,88)(H,76,91)(H,77,92)(H,78,87)(H,79,89)(H,80,93)(H,81,90)(H4,68,69,70)/t44-,45+,46-,47+,48+,49+,50+,51-,52+,53+/m0/s1
KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars
PubMed
 0.25n/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