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BDBM50196461 (2S)-1-[(2S)-2-(1R)-3-oxocyclopentylcarboxamido]-3-(2-tert-butyl-1H-imidazolyl)propanoyl]azalone-2-carboxamide::CHEMBL389858

InChI string: InChI=1S/C21H31N5O4/c1-21(2,3)20-23-11-13(24-20)10-15(25-18(29)12-6-7-14(27)9-12)19(30)26-8-4-5-16(26)17(22)28/h11-12,15-16H,4-10H2,1-3H3,(H2,22,28)(H,23,24)(H,25,29)/t12-,15+,16+/m1/s1

SMILES: CC(C)(C)c1ncc(C[C@H](NC(=O)[C@@H]2CCC(=O)C2)C(=O)N2CCC[C@H]2C(N)=O)[nH]1

InChI Key: InChIKey=KTHCCJBWKFJHQW-KCXAZCMYSA-N

Data: 2 KI  2 EC50

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 4 hits for monomerid = 50196461   
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


(Homo sapiens)
BDBM50196461
PNG
((2S)-1-[(2S)-2-(1R)-3-oxocyclopentylcarboxamido]-3...)
Show SMILES CC(C)(C)c1ncc(C[C@H](NC(=O)[C@@H]2CCC(=O)C2)C(=O)N2CCC[C@H]2C(N)=O)[nH]1
Show InChI InChI=1S/C21H31N5O4/c1-21(2,3)20-23-11-13(24-20)10-15(25-18(29)12-6-7-14(27)9-12)19(30)26-8-4-5-16(26)17(22)28/h11-12,15-16H,4-10H2,1-3H3,(H2,22,28)(H,23,24)(H,25,29)/t12-,15+,16+/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
>1.00E+5n/an/an/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research

Curated by ChEMBL


Assay Description
Displacement of [3H]N(1)-Me-His-TRH from TRHR1


Citation and Details
More data for this
Ligand-Target Pair
Thyrotropin-releasing hormone receptor 2


(Rattus norvegicus)
BDBM50196461
PNG
((2S)-1-[(2S)-2-(1R)-3-oxocyclopentylcarboxamido]-3...)
Show SMILES CC(C)(C)c1ncc(C[C@H](NC(=O)[C@@H]2CCC(=O)C2)C(=O)N2CCC[C@H]2C(N)=O)[nH]1
Show InChI InChI=1S/C21H31N5O4/c1-21(2,3)20-23-11-13(24-20)10-15(25-18(29)12-6-7-14(27)9-12)19(30)26-8-4-5-16(26)17(22)28/h11-12,15-16H,4-10H2,1-3H3,(H2,22,28)(H,23,24)(H,25,29)/t12-,15+,16+/m1/s1
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
>1.00E+5n/an/an/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research

Curated by ChEMBL


Assay Description
Displacement of [3H]N(1)-Me-His-TRH from TRHR2


Citation and Details
More data for this
Ligand-Target Pair
Thyrotropin-releasing hormone receptor


(Homo sapiens)
BDBM50196461
PNG
((2S)-1-[(2S)-2-(1R)-3-oxocyclopentylcarboxamido]-3...)
Show SMILES CC(C)(C)c1ncc(C[C@H](NC(=O)[C@@H]2CCC(=O)C2)C(=O)N2CCC[C@H]2C(N)=O)[nH]1
Show InChI InChI=1S/C21H31N5O4/c1-21(2,3)20-23-11-13(24-20)10-15(25-18(29)12-6-7-14(27)9-12)19(30)26-8-4-5-16(26)17(22)28/h11-12,15-16H,4-10H2,1-3H3,(H2,22,28)(H,23,24)(H,25,29)/t12-,15+,16+/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/an/an/a>1.00E+5n/an/an/an/a



National Institute of Pharmaceutical Education and Research

Curated by ChEMBL


Assay Description
Agonist activity at TRHR1 expressed in HEK293EM cells assessed as activation potency by measuring CREB-luciferase reporter activity


Citation and Details
More data for this
Ligand-Target Pair
Thyrotropin-releasing hormone receptor 2


(Rattus norvegicus)
BDBM50196461
PNG
((2S)-1-[(2S)-2-(1R)-3-oxocyclopentylcarboxamido]-3...)
Show SMILES CC(C)(C)c1ncc(C[C@H](NC(=O)[C@@H]2CCC(=O)C2)C(=O)N2CCC[C@H]2C(N)=O)[nH]1
Show InChI InChI=1S/C21H31N5O4/c1-21(2,3)20-23-11-13(24-20)10-15(25-18(29)12-6-7-14(27)9-12)19(30)26-8-4-5-16(26)17(22)28/h11-12,15-16H,4-10H2,1-3H3,(H2,22,28)(H,23,24)(H,25,29)/t12-,15+,16+/m1/s1
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/an/an/a>1.00E+5n/an/an/an/a



National Institute of Pharmaceutical Education and Research

Curated by ChEMBL


Assay Description
Agonist activity at TRHR2 expressed in HEK293EM cells assessed as activation potency by measuring CREB-luciferase reporter activity


Citation and Details
More data for this
Ligand-Target Pair