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BDBM50173822 1-[3-(2-cyclohexyl-1H-4-imidazolyl)-2-[5-oxo-(2S)-tetrahydro-1H-2-pyrrolylcarboxamido]-(2S)-propanoyl]-(2S)-tetrahydro-1H-2-pyrrolecarboxamide::CHEMBL382080

InChI string: InChI=1S/C22H32N6O4/c23-19(30)17-7-4-10-28(17)22(32)16(27-21(31)15-8-9-18(29)26-15)11-14-12-24-20(25-14)13-5-2-1-3-6-13/h12-13,15-17H,1-11H2,(H2,23,30)(H,24,25)(H,26,29)(H,27,31)/t15-,16-,17-/m0/s1

SMILES: NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc([nH]1)C1CCCCC1)NC(=O)[C@@H]1CCC(=O)N1

InChI Key: InChIKey=BHFTUARIRMBSAP-ULQDDVLXSA-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 = 50173822   
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)
BDBM50173822
PNG
(1-[3-(2-cyclohexyl-1H-4-imidazolyl)-2-[5-oxo-(2S)-...)
Show SMILES NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc([nH]1)C1CCCCC1)NC(=O)[C@@H]1CCC(=O)N1
Show InChI InChI=1S/C22H32N6O4/c23-19(30)17-7-4-10-28(17)22(32)16(27-21(31)15-8-9-18(29)26-15)11-14-12-24-20(25-14)13-5-2-1-3-6-13/h12-13,15-17H,1-11H2,(H2,23,30)(H,24,25)(H,26,29)(H,27,31)/t15-,16-,17-/m0/s1
KEGG

UniProtKB/SwissProt

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
Inhibitory constant against thyrotropin releasing hormone receptor 1 expressed in HEK 293EM cells upon incubation at 37 degee C for 1 hr at pH 7.4 us...


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


(Rattus norvegicus)
BDBM50173822
PNG
(1-[3-(2-cyclohexyl-1H-4-imidazolyl)-2-[5-oxo-(2S)-...)
Show SMILES NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc([nH]1)C1CCCCC1)NC(=O)[C@@H]1CCC(=O)N1
Show InChI InChI=1S/C22H32N6O4/c23-19(30)17-7-4-10-28(17)22(32)16(27-21(31)15-8-9-18(29)26-15)11-14-12-24-20(25-14)13-5-2-1-3-6-13/h12-13,15-17H,1-11H2,(H2,23,30)(H,24,25)(H,26,29)(H,27,31)/t15-,16-,17-/m0/s1
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/an/an/a 1.10E+3n/an/an/an/a



National Institute of Pharmaceutical Education and Research

Curated by ChEMBL


Assay Description
Signaling (activation) potency for thyrotropin releasing hormone receptor 2 expressed in HEK 293EM cells with CREB-luciferase reporter upon incubatio...


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


(Rattus norvegicus)
BDBM50173822
PNG
(1-[3-(2-cyclohexyl-1H-4-imidazolyl)-2-[5-oxo-(2S)-...)
Show SMILES NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc([nH]1)C1CCCCC1)NC(=O)[C@@H]1CCC(=O)N1
Show InChI InChI=1S/C22H32N6O4/c23-19(30)17-7-4-10-28(17)22(32)16(27-21(31)15-8-9-18(29)26-15)11-14-12-24-20(25-14)13-5-2-1-3-6-13/h12-13,15-17H,1-11H2,(H2,23,30)(H,24,25)(H,26,29)(H,27,31)/t15-,16-,17-/m0/s1
KEGG

UniProtKB/SwissProt

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
Signaling (activation) potency for thyrotropin releasing hormone receptor 1 expressed in HEK 293EM cells with CREB-luciferase reporter upon incubatio...


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


(Rattus norvegicus)
BDBM50173822
PNG
(1-[3-(2-cyclohexyl-1H-4-imidazolyl)-2-[5-oxo-(2S)-...)
Show SMILES NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc([nH]1)C1CCCCC1)NC(=O)[C@@H]1CCC(=O)N1
Show InChI InChI=1S/C22H32N6O4/c23-19(30)17-7-4-10-28(17)22(32)16(27-21(31)15-8-9-18(29)26-15)11-14-12-24-20(25-14)13-5-2-1-3-6-13/h12-13,15-17H,1-11H2,(H2,23,30)(H,24,25)(H,26,29)(H,27,31)/t15-,16-,17-/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
Inhibitory constant against thyrotropin releasing hormone receptor 2 expressed in HEK 293EM cells upon incubation at 37 degee C for 1 hr at pH 7.4 us...


Citation and Details
More data for this
Ligand-Target Pair