BindingDB logo
myBDB logout

BDBM50196452 (2S)-1-[(2S)-2-(1S)-3-oxocyclopentylcarboxamido]-3-(2-cyclohexyl-1H-imidazolyl)propanoyl]azalone-2-carboxamide::CHEMBL376135

InChI string: InChI=1S/C23H33N5O4/c24-20(30)19-7-4-10-28(19)23(32)18(27-22(31)15-8-9-17(29)11-15)12-16-13-25-21(26-16)14-5-2-1-3-6-14/h13-15,18-19H,1-12H2,(H2,24,30)(H,25,26)(H,27,31)/t15-,18-,19-/m0/s1

SMILES: NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc([nH]1)C1CCCCC1)NC(=O)[C@H]1CCC(=O)C1

InChI Key: InChIKey=WDSXKLORUSKPMN-SNRMKQJTSA-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 = 50196452   
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 2


(Rattus norvegicus)
BDBM50196452
PNG
((2S)-1-[(2S)-2-(1S)-3-oxocyclopentylcarboxamido]-3...)
Show SMILES NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc([nH]1)C1CCCCC1)NC(=O)[C@H]1CCC(=O)C1
Show InChI InChI=1S/C23H33N5O4/c24-20(30)19-7-4-10-28(19)23(32)18(27-22(31)15-8-9-17(29)11-15)12-16-13-25-21(26-16)14-5-2-1-3-6-14/h13-15,18-19H,1-12H2,(H2,24,30)(H,25,26)(H,27,31)/t15-,18-,19-/m0/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


Bioorg Med Chem 15: 433-43 (2006)

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


(Homo sapiens)
BDBM50196452
PNG
((2S)-1-[(2S)-2-(1S)-3-oxocyclopentylcarboxamido]-3...)
Show SMILES NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc([nH]1)C1CCCCC1)NC(=O)[C@H]1CCC(=O)C1
Show InChI InChI=1S/C23H33N5O4/c24-20(30)19-7-4-10-28(19)23(32)18(27-22(31)15-8-9-17(29)11-15)12-16-13-25-21(26-16)14-5-2-1-3-6-14/h13-15,18-19H,1-12H2,(H2,24,30)(H,25,26)(H,27,31)/t15-,18-,19-/m0/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


Bioorg Med Chem 15: 433-43 (2006)

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


(Rattus norvegicus)
BDBM50196452
PNG
((2S)-1-[(2S)-2-(1S)-3-oxocyclopentylcarboxamido]-3...)
Show SMILES NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc([nH]1)C1CCCCC1)NC(=O)[C@H]1CCC(=O)C1
Show InChI InChI=1S/C23H33N5O4/c24-20(30)19-7-4-10-28(19)23(32)18(27-22(31)15-8-9-17(29)11-15)12-16-13-25-21(26-16)14-5-2-1-3-6-14/h13-15,18-19H,1-12H2,(H2,24,30)(H,25,26)(H,27,31)/t15-,18-,19-/m0/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


Bioorg Med Chem 15: 433-43 (2006)

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


(Homo sapiens)
BDBM50196452
PNG
((2S)-1-[(2S)-2-(1S)-3-oxocyclopentylcarboxamido]-3...)
Show SMILES NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc([nH]1)C1CCCCC1)NC(=O)[C@H]1CCC(=O)C1
Show InChI InChI=1S/C23H33N5O4/c24-20(30)19-7-4-10-28(19)23(32)18(27-22(31)15-8-9-17(29)11-15)12-16-13-25-21(26-16)14-5-2-1-3-6-14/h13-15,18-19H,1-12H2,(H2,24,30)(H,25,26)(H,27,31)/t15-,18-,19-/m0/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


Bioorg Med Chem 15: 433-43 (2006)

More data for this
Ligand-Target Pair