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BDBM50090740 1-{2-[2-(2-{2-[2-Acetylamino-3-(1H-indol-3-yl)-propionylamino]-3-phenyl-propionylamino}-3-phenyl-propionylamino)-acetylamino]-5-guanidino-pentanoyl}-pyrrolidine-2-carboxylic acid (1-carbamoyl-ethyl)-amide::CHEMBL410269

SMILES: C[C@H](NC(=O)[C@H]1CCCN1C(=O)[C@@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(C)=O)C(N)=O

InChI Key: InChIKey=WBCOTWBOIIGCOG-CQYWEEBDSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50090740   
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)		BDBM50090740
PNG
(1-{2-[2-(2-{2-[2-Acetylamino-3-(1H-indol-3-yl)-pro...)
Show SMILES C[C@H](NC(=O)[C@H]1CCCN1C(=O)[C@@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(C)=O)C(N)=O
Show InChI InChI=1S/C47H60N12O8/c1-28(41(48)62)54-45(66)39-20-12-22-59(39)46(67)35(19-11-21-51-47(49)50)56-40(61)27-53-42(63)36(23-30-13-5-3-6-14-30)57-43(64)37(24-31-15-7-4-8-16-31)58-44(65)38(55-29(2)60)25-32-26-52-34-18-10-9-17-33(32)34/h3-10,13-18,26,28,35-39,52H,11-12,19-25,27H2,1-2H3,(H2,48,62)(H,53,63)(H,54,66)(H,55,60)(H,56,61)(H,57,64)(H,58,65)(H4,49,50,51)/t28-,35+,36+,37+,38-,39+/m0/s1
KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 450n/an/an/an/an/an/a



Institute of Science

Curated by ChEMBL


Assay Description
Concentration of the peptide which displaces 50% of 125 I-[D-Lys6] gonadotropin-releasing hormone bound to rat pituitary membranes

J Med Chem 43: 2831-6 (2000)


BindingDB Entry DOI: 10.7270/Q29P30W3
More data for this
Ligand-Target Pair