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BDBM50085770 CHEMBL216634::Gonadotropin Releasing Hormone analogue

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

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50085770   
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)		BDBM50085770
PNG
(CHEMBL216634 | Gonadotropin Releasing Hormone anal...)
Show SMILES CC(C)C[C@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H]2CNC(=O)CNC(=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/C69H87ClN18O14/c1-36(2)26-48-61(95)80-47(14-8-24-74-69(72)73)68(102)88-25-9-15-55(88)67(101)86-53(59(71)93)33-76-57(91)31-52-65(99)87-54(66(100)83-50(63(97)81-48)29-39-16-19-40-10-4-5-11-41(40)27-39)34-77-58(92)35-78-56(90)23-22-46(79-37(3)89)60(94)82-49(28-38-17-20-43(70)21-18-38)62(96)84-51(64(98)85-52)30-42-32-75-45-13-7-6-12-44(42)45/h4-7,10-13,16-21,27,32,36,46-55,75H,8-9,14-15,22-26,28-31,33-35H2,1-3H3,(H2,71,93)(H,76,91)(H,77,92)(H,78,90)(H,79,89)(H,80,95)(H,81,97)(H,82,94)(H,83,100)(H,84,96)(H,85,98)(H,86,101)(H,87,99)(H4,72,73,74)/t46-,47+,48-,49+,50-,51-,52-,53-,54-,55-/m1/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 0.440n/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