BindingDB logo
myBDB logout

BDBM50085804 CHEMBL266536::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](CCC(=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=XMDIXIDDBQCJGW-JJTLYOGXSA-N

Data: 1 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50085804   
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)		BDBM50085804
PNG
(CHEMBL266536 | 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](CCC(=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/C71H92ClN15O12/c1-40(2)34-55-65(94)83-54(70(99)87-33-13-20-59(87)69(98)78-41(3)61(73)90)18-10-11-31-76-60(89)30-29-53(82-67(96)57(37-44-23-27-51(72)28-24-44)86-66(95)56(80-43(5)88)38-45-21-25-47-14-6-8-16-49(47)35-45)63(92)79-42(4)62(91)81-52(19-12-32-77-71(74)75)64(93)85-58(68(97)84-55)39-46-22-26-48-15-7-9-17-50(48)36-46/h6-9,14-17,21-28,35-36,40-42,52-59H,10-13,18-20,29-34,37-39H2,1-5H3,(H2,73,90)(H,76,89)(H,78,98)(H,79,92)(H,80,88)(H,81,91)(H,82,96)(H,83,94)(H,84,97)(H,85,93)(H,86,95)(H4,74,75,77)/t41-,42-,52-,53+,54-,55-,56+,57-,58+,59-/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 23n/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