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BDBM50085786 CHEMBL410382::Gonadotropin Releasing Hormone analogue

SMILES: CC(C)C[C@H]1NC(=O)[C@@H](Cc2cccnc2)NC(=O)[C@H]2CCNC(=O)CNC(=O)C[C@@H](NC(C)=O)C(=O)N[C@@H](Cc3ccc(Cl)cc3)C(=O)N[C@H](Cc3cccnc3)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=NINHJEYHYZIMMD-FKPPXTRFSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50085786   
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)		BDBM50085786
PNG
(CHEMBL410382 | Gonadotropin Releasing Hormone anal...)
Show SMILES CC(C)C[C@H]1NC(=O)[C@@H](Cc2cccnc2)NC(=O)[C@H]2CCNC(=O)CNC(=O)C[C@@H](NC(C)=O)C(=O)N[C@@H](Cc3ccc(Cl)cc3)C(=O)N[C@H](Cc3cccnc3)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/C61H82ClN19O14/c1-32(2)22-40-53(88)74-39(10-6-19-69-61(64)65)60(95)81-21-7-11-47(81)59(94)80-46(51(63)86)30-70-48(83)27-45-58(93)73-38(52(87)76-42(55(90)75-40)24-35-8-4-17-66-28-35)16-20-68-50(85)31-71-49(84)26-44(72-33(3)82)57(92)77-41(23-34-12-14-37(62)15-13-34)54(89)78-43(56(91)79-45)25-36-9-5-18-67-29-36/h4-5,8-9,12-15,17-18,28-29,32,38-47H,6-7,10-11,16,19-27,30-31H2,1-3H3,(H2,63,86)(H,68,85)(H,70,83)(H,71,84)(H,72,82)(H,73,93)(H,74,88)(H,75,90)(H,76,87)(H,77,92)(H,78,89)(H,79,91)(H,80,94)(H4,64,65,69)/t38-,39+,40-,41+,42-,43-,44-,45-,46-,47-/m1/s1
KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 1.60n/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