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BDBM50173821 1-[3-[2-(tert-butyl)-1H-4-imidazolyl]-2-[5-oxo-(2S)-tetrahydro-1H-2-pyrrolylcarboxamido]-(2S)-propanoyl]-(2S)-tetrahydro-1H-2-pyrrolecarboxamide::CHEMBL382714

InChI string: InChI=1S/C20H30N6O4/c1-20(2,3)19-22-10-11(23-19)9-13(25-17(29)12-6-7-15(27)24-12)18(30)26-8-4-5-14(26)16(21)28/h10,12-14H,4-9H2,1-3H3,(H2,21,28)(H,22,23)(H,24,27)(H,25,29)/t12-,13-,14-/m0/s1

SMILES: CC(C)(C)c1ncc(C[C@H](NC(=O)[C@@H]2CCC(=O)N2)C(=O)N2CCC[C@H]2C(N)=O)[nH]1

InChI Key: InChIKey=QHZBXEVAWYKZHF-IHRRRGAJSA-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 = 50173821   
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)
BDBM50173821
PNG
(1-[3-[2-(tert-butyl)-1H-4-imidazolyl]-2-[5-oxo-(2S...)
Show SMILES CC(C)(C)c1ncc(C[C@H](NC(=O)[C@@H]2CCC(=O)N2)C(=O)N2CCC[C@H]2C(N)=O)[nH]1
Show InChI InChI=1S/C20H30N6O4/c1-20(2,3)19-22-10-11(23-19)9-13(25-17(29)12-6-7-15(27)24-12)18(30)26-8-4-5-14(26)16(21)28/h10,12-14H,4-9H2,1-3H3,(H2,21,28)(H,22,23)(H,24,27)(H,25,29)/t12-,13-,14-/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)
BDBM50173821
PNG
(1-[3-[2-(tert-butyl)-1H-4-imidazolyl]-2-[5-oxo-(2S...)
Show SMILES CC(C)(C)c1ncc(C[C@H](NC(=O)[C@@H]2CCC(=O)N2)C(=O)N2CCC[C@H]2C(N)=O)[nH]1
Show InChI InChI=1S/C20H30N6O4/c1-20(2,3)19-22-10-11(23-19)9-13(25-17(29)12-6-7-15(27)24-12)18(30)26-8-4-5-14(26)16(21)28/h10,12-14H,4-9H2,1-3H3,(H2,21,28)(H,22,23)(H,24,27)(H,25,29)/t12-,13-,14-/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
Thyrotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50173821
PNG
(1-[3-[2-(tert-butyl)-1H-4-imidazolyl]-2-[5-oxo-(2S...)
Show SMILES CC(C)(C)c1ncc(C[C@H](NC(=O)[C@@H]2CCC(=O)N2)C(=O)N2CCC[C@H]2C(N)=O)[nH]1
Show InChI InChI=1S/C20H30N6O4/c1-20(2,3)19-22-10-11(23-19)9-13(25-17(29)12-6-7-15(27)24-12)18(30)26-8-4-5-14(26)16(21)28/h10,12-14H,4-9H2,1-3H3,(H2,21,28)(H,22,23)(H,24,27)(H,25,29)/t12-,13-,14-/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)
BDBM50173821
PNG
(1-[3-[2-(tert-butyl)-1H-4-imidazolyl]-2-[5-oxo-(2S...)
Show SMILES CC(C)(C)c1ncc(C[C@H](NC(=O)[C@@H]2CCC(=O)N2)C(=O)N2CCC[C@H]2C(N)=O)[nH]1
Show InChI InChI=1S/C20H30N6O4/c1-20(2,3)19-22-10-11(23-19)9-13(25-17(29)12-6-7-15(27)24-12)18(30)26-8-4-5-14(26)16(21)28/h10,12-14H,4-9H2,1-3H3,(H2,21,28)(H,22,23)(H,24,27)(H,25,29)/t12-,13-,14-/m0/s1
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/an/an/a 1.30E+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