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BDBM50156182 3-carbamoyl-1-{5-(2-carbamoyl-pyrrolidin-1-yl)-5-oxo-4-[(5-oxo-pyrrolidine-2-carbonyl)-amino]-pentyl}-pyridinium;::CHEMBL190578

InChI string: InChI=1S/C21H28N6O5/c22-18(29)13-4-1-9-26(12-13)10-2-5-15(25-20(31)14-7-8-17(28)24-14)21(32)27-11-3-6-16(27)19(23)30/h1,4,9,12,14-16H,2-3,5-8,10-11H2,(H5-,22,23,24,25,28,29,30,31)/p+1

SMILES: NC(=O)C1CCCN1C(=O)C(CCC[n+]1cccc(c1)C(N)=O)NC(=O)C1CCC(=O)N1

InChI Key: InChIKey=LHYYFEMGRONARO-UHFFFAOYSA-O

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50156182   
Target
(Institution)
LigandTarget
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
Thyrotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50156182
PNG
(3-carbamoyl-1-{5-(2-carbamoyl-pyrrolidin-1-yl)-5-o...)
Show SMILES NC(=O)C1CCCN1C(=O)C(CCC[n+]1cccc(c1)C(N)=O)NC(=O)C1CCC(=O)N1
Show InChI InChI=1S/C21H28N6O5/c22-18(29)13-4-1-9-26(12-13)10-2-5-15(25-20(31)14-7-8-17(28)24-14)21(32)27-11-3-6-16(27)19(23)30/h1,4,9,12,14-16H,2-3,5-8,10-11H2,(H5-,22,23,24,25,28,29,30,31)/p+1
KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Inhibition of [3H]-[3-Me-His2]-TRH binding to thyrotropin releasing hormone receptor of rat forebrain


Citation and Details
More data for this
Ligand-Target Pair