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BDBM50193836 1-((3R,8aS)-3-benzyl-hexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl)-2-phenylethanone::CHEMBL373821

SMILES: O=C(Cc1ccccc1)N1C[C@@H]2CCCN2C[C@H]1Cc1ccccc1

InChI Key: InChIKey=QXRXXIKAVZAGHZ-LEWJYISDSA-N

Data: 4 IC50  4 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 8 hits for monomerid = 50193836   
Target/Host
(Institution)
LigandTarget/Host
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
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50193836
PNG
(1-((3R,8aS)-3-benzyl-hexahydropyrrolo[1,2-a]pyrazi...)
Show SMILES O=C(Cc1ccccc1)N1C[C@@H]2CCCN2C[C@H]1Cc1ccccc1
Show InChI InChI=1S/C22H26N2O/c25-22(15-19-10-5-2-6-11-19)24-17-20-12-7-13-23(20)16-21(24)14-18-8-3-1-4-9-18/h1-6,8-11,20-21H,7,12-17H2/t20-,21+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
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CHEMBL
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PC sid
UniChem

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



University of Arizona

Curated by ChEMBL


Assay Description
Activity at human MC4R expressed in HEK293 cells assessed by measuring intracellular cAMP accumulation


Bioorg Med Chem Lett 16: 5462-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.015
BindingDB Entry DOI: 10.7270/Q2XD11BD
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))
BDBM50193836
PNG
(1-((3R,8aS)-3-benzyl-hexahydropyrrolo[1,2-a]pyrazi...)
Show SMILES O=C(Cc1ccccc1)N1C[C@@H]2CCCN2C[C@H]1Cc1ccccc1
Show InChI InChI=1S/C22H26N2O/c25-22(15-19-10-5-2-6-11-19)24-17-20-12-7-13-23(20)16-21(24)14-18-8-3-1-4-9-18/h1-6,8-11,20-21H,7,12-17H2/t20-,21+/m0/s1
UniProtKB/SwissProt

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



University of Arizona

Curated by ChEMBL


Assay Description
Activity at human MC3R expressed in HEK293 cells assessed by measuring intracellular cAMP accumulation


Bioorg Med Chem Lett 16: 5462-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.015
BindingDB Entry DOI: 10.7270/Q2XD11BD
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Homo sapiens (Human))
BDBM50193836
PNG
(1-((3R,8aS)-3-benzyl-hexahydropyrrolo[1,2-a]pyrazi...)
Show SMILES O=C(Cc1ccccc1)N1C[C@@H]2CCCN2C[C@H]1Cc1ccccc1
Show InChI InChI=1S/C22H26N2O/c25-22(15-19-10-5-2-6-11-19)24-17-20-12-7-13-23(20)16-21(24)14-18-8-3-1-4-9-18/h1-6,8-11,20-21H,7,12-17H2/t20-,21+/m0/s1
UniProtKB/SwissProt

antibodypedia
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PubMed
n/an/an/an/a>1.00E+4n/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Activity at human MC5R expressed in HEK293 cells assessed by measuring intracellular cAMP accumulation


Bioorg Med Chem Lett 16: 5462-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.015
BindingDB Entry DOI: 10.7270/Q2XD11BD
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50193836
PNG
(1-((3R,8aS)-3-benzyl-hexahydropyrrolo[1,2-a]pyrazi...)
Show SMILES O=C(Cc1ccccc1)N1C[C@@H]2CCCN2C[C@H]1Cc1ccccc1
Show InChI InChI=1S/C22H26N2O/c25-22(15-19-10-5-2-6-11-19)24-17-20-12-7-13-23(20)16-21(24)14-18-8-3-1-4-9-18/h1-6,8-11,20-21H,7,12-17H2/t20-,21+/m0/s1
PDB

KEGG

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PubMed
n/an/a 1.20n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alpha-MSH from human MC4R expressed in HEK293 cells


Bioorg Med Chem Lett 16: 5462-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.015
BindingDB Entry DOI: 10.7270/Q2XD11BD
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))
BDBM50193836
PNG
(1-((3R,8aS)-3-benzyl-hexahydropyrrolo[1,2-a]pyrazi...)
Show SMILES O=C(Cc1ccccc1)N1C[C@@H]2CCCN2C[C@H]1Cc1ccccc1
Show InChI InChI=1S/C22H26N2O/c25-22(15-19-10-5-2-6-11-19)24-17-20-12-7-13-23(20)16-21(24)14-18-8-3-1-4-9-18/h1-6,8-11,20-21H,7,12-17H2/t20-,21+/m0/s1
UniProtKB/SwissProt

antibodypedia
GoogleScholar
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CHEMBL
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PC sid
UniChem

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Article
PubMed
n/an/a 5n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alpha-MSH from human MC3R expressed in HEK293 cells


Bioorg Med Chem Lett 16: 5462-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.015
BindingDB Entry DOI: 10.7270/Q2XD11BD
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Homo sapiens (Human))
BDBM50193836
PNG
(1-((3R,8aS)-3-benzyl-hexahydropyrrolo[1,2-a]pyrazi...)
Show SMILES O=C(Cc1ccccc1)N1C[C@@H]2CCCN2C[C@H]1Cc1ccccc1
Show InChI InChI=1S/C22H26N2O/c25-22(15-19-10-5-2-6-11-19)24-17-20-12-7-13-23(20)16-21(24)14-18-8-3-1-4-9-18/h1-6,8-11,20-21H,7,12-17H2/t20-,21+/m0/s1
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alpha-MSH from human MC5R expressed in HEK293 cells


Bioorg Med Chem Lett 16: 5462-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.015
BindingDB Entry DOI: 10.7270/Q2XD11BD
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50193836
PNG
(1-((3R,8aS)-3-benzyl-hexahydropyrrolo[1,2-a]pyrazi...)
Show SMILES O=C(Cc1ccccc1)N1C[C@@H]2CCCN2C[C@H]1Cc1ccccc1
Show InChI InChI=1S/C22H26N2O/c25-22(15-19-10-5-2-6-11-19)24-17-20-12-7-13-23(20)16-21(24)14-18-8-3-1-4-9-18/h1-6,8-11,20-21H,7,12-17H2/t20-,21+/m0/s1
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.30n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alpha-MSH from human MC1R expressed in HEK293 cells


Bioorg Med Chem Lett 16: 5462-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.015
BindingDB Entry DOI: 10.7270/Q2XD11BD
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50193836
PNG
(1-((3R,8aS)-3-benzyl-hexahydropyrrolo[1,2-a]pyrazi...)
Show SMILES O=C(Cc1ccccc1)N1C[C@@H]2CCCN2C[C@H]1Cc1ccccc1
Show InChI InChI=1S/C22H26N2O/c25-22(15-19-10-5-2-6-11-19)24-17-20-12-7-13-23(20)16-21(24)14-18-8-3-1-4-9-18/h1-6,8-11,20-21H,7,12-17H2/t20-,21+/m0/s1
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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



University of Arizona

Curated by ChEMBL


Assay Description
Activity at human MC1R expressed in HEK293 cells assessed by measuring intracellular cAMP accumulation


Bioorg Med Chem Lett 16: 5462-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.015
BindingDB Entry DOI: 10.7270/Q2XD11BD
More data for this
Ligand-Target Pair