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BDBM50085795 CHEMBL439470::Gonadotropin Releasing Hormone analogue

SMILES: CC(C)C[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)NCCCC[C@H](NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(N)=O)NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(C)=O

InChI Key: InChIKey=UAEQKGDWPXICQD-XFPNJZMJSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50085795   
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)		BDBM50085795
PNG
(CHEMBL439470 | Gonadotropin Releasing Hormone anal...)
Show SMILES CC(C)C[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)NCCCC[C@H](NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(N)=O)NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(C)=O
Show InChI InChI=1S/C70H90ClN15O12/c1-39(2)32-53-64(93)81-52(69(98)86-31-13-20-58(86)68(97)77-40(3)60(72)89)18-10-11-29-75-59(88)38-57(85-66(95)55(35-43-23-27-50(71)28-24-43)84-65(94)54(79-42(5)87)36-44-21-25-46-14-6-8-16-48(46)33-44)63(92)78-41(4)61(90)80-51(19-12-30-76-70(73)74)62(91)83-56(67(96)82-53)37-45-22-26-47-15-7-9-17-49(47)34-45/h6-9,14-17,21-28,33-34,39-41,51-58H,10-13,18-20,29-32,35-38H2,1-5H3,(H2,72,89)(H,75,88)(H,77,97)(H,78,92)(H,79,87)(H,80,90)(H,81,93)(H,82,96)(H,83,91)(H,84,94)(H,85,95)(H4,73,74,76)/t40-,41-,51-,52-,53-,54+,55-,56+,57-,58-/m0/s1
KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 2.30n/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