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BDBM50085801 CHEMBL407800::Gonadotropin Releasing Hormone analogue

SMILES: CC(C)C[C@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H]2CCCNC(=O)CC[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=RPCGSAPVAMSVHC-SWFCEAILSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50085801   
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)		BDBM50085801
PNG
(CHEMBL407800 | Gonadotropin Releasing Hormone anal...)
Show SMILES CC(C)C[C@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H]2CCCNC(=O)CC[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/C69H88ClN17O13/c1-37(2)29-50-62(94)80-49(16-9-27-75-69(72)73)68(100)87-28-10-17-56(87)67(99)86-55(59(71)91)36-77-58(90)34-54-66(98)79-47(60(92)83-52(64(96)81-50)32-40-18-21-41-11-4-5-12-42(41)30-40)15-8-26-74-57(89)25-24-48(78-38(3)88)61(93)82-51(31-39-19-22-44(70)23-20-39)63(95)84-53(65(97)85-54)33-43-35-76-46-14-7-6-13-45(43)46/h4-7,11-14,18-23,30,35,37,47-56,76H,8-10,15-17,24-29,31-34,36H2,1-3H3,(H2,71,91)(H,74,89)(H,77,90)(H,78,88)(H,79,98)(H,80,94)(H,81,96)(H,82,93)(H,83,92)(H,84,95)(H,85,97)(H,86,99)(H4,72,73,75)/t47?,48-,49+,50-,51+,52-,53-,54-,55-,56-/m1/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 0.860n/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