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BDBM50085785 CHEMBL429007::Gonadotropin Releasing Hormone analogue

SMILES: CC(C)C[C@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H]2CNC(=O)CNC(=O)C[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=STUAICLLRPVCSD-YBQPYACOSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50085785   
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)		BDBM50085785
PNG
(CHEMBL429007 | Gonadotropin Releasing Hormone anal...)
Show SMILES CC(C)C[C@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H]2CNC(=O)CNC(=O)C[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/C68H85ClN18O14/c1-35(2)24-46-59(93)79-45(14-8-22-73-68(71)72)67(101)87-23-9-15-54(87)66(100)85-52(58(70)92)32-75-55(89)30-51-64(98)86-53(65(99)82-48(61(95)80-46)27-38-16-19-39-10-4-5-11-40(39)25-38)33-76-57(91)34-77-56(90)29-50(78-36(3)88)63(97)81-47(26-37-17-20-42(69)21-18-37)60(94)83-49(62(96)84-51)28-41-31-74-44-13-7-6-12-43(41)44/h4-7,10-13,16-21,25,31,35,45-54,74H,8-9,14-15,22-24,26-30,32-34H2,1-3H3,(H2,70,92)(H,75,89)(H,76,91)(H,77,90)(H,78,88)(H,79,93)(H,80,95)(H,81,97)(H,82,99)(H,83,94)(H,84,96)(H,85,100)(H,86,98)(H4,71,72,73)/t45-,46+,47-,48+,49+,50+,51+,52+,53+,54+/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 0.490n/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