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BDBM50315685 ((3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidin-3-yl)((3S,4R,5R)-4-hydroxy-3,5-dimethyl-4-propylpiperidin-1-yl)methanone::CHEMBL1090161

SMILES: CCC[C@]1(O)[C@@H](C)CN(C[C@H]1C)C(=O)[C@@H]1CN(C[C@H]1c1ccc(F)cc1F)C(C)(C)C

InChI Key: InChIKey=BQZXWVJPEGSSMW-TVLLSFCTSA-N

Data: 1 KI  3 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 = 50315685   
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))
BDBM50315685
PNG
(((3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrol...)
Show SMILES CCC[C@]1(O)[C@@H](C)CN(C[C@H]1C)C(=O)[C@@H]1CN(C[C@H]1c1ccc(F)cc1F)C(C)(C)C |r|
Show InChI InChI=1S/C25H38F2N2O2/c1-7-10-25(31)16(2)12-28(13-17(25)3)23(30)21-15-29(24(4,5)6)14-20(21)19-9-8-18(26)11-22(19)27/h8-9,11,16-17,20-21,31H,7,10,12-15H2,1-6H3/t16-,17+,20-,21+,25-/m0/s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
844n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H] melanocortin-2 from human recombinant MC4 receptor expressed in CHO cells by scintillation counting


J Med Chem 53: 3183-97 (2010)


Article DOI: 10.1021/jm9017866
BindingDB Entry DOI: 10.7270/Q20G3M4T
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50315685
PNG
(((3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrol...)
Show SMILES CCC[C@]1(O)[C@@H](C)CN(C[C@H]1C)C(=O)[C@@H]1CN(C[C@H]1c1ccc(F)cc1F)C(C)(C)C |r|
Show InChI InChI=1S/C25H38F2N2O2/c1-7-10-25(31)16(2)12-28(13-17(25)3)23(30)21-15-29(24(4,5)6)14-20(21)19-9-8-18(26)11-22(19)27/h8-9,11,16-17,20-21,31H,7,10,12-15H2,1-6H3/t16-,17+,20-,21+,25-/m0/s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/an/an/a 126n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant MC4 receptor expressed in CHO cells by cAMP responsive beta lactamase reporter gene assay


J Med Chem 53: 3183-97 (2010)


Article DOI: 10.1021/jm9017866
BindingDB Entry DOI: 10.7270/Q20G3M4T
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50315685
PNG
(((3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrol...)
Show SMILES CCC[C@]1(O)[C@@H](C)CN(C[C@H]1C)C(=O)[C@@H]1CN(C[C@H]1c1ccc(F)cc1F)C(C)(C)C |r|
Show InChI InChI=1S/C25H38F2N2O2/c1-7-10-25(31)16(2)12-28(13-17(25)3)23(30)21-15-29(24(4,5)6)14-20(21)19-9-8-18(26)11-22(19)27/h8-9,11,16-17,20-21,31H,7,10,12-15H2,1-6H3/t16-,17+,20-,21+,25-/m0/s1
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 3.61E+3n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant MC1 receptor expressed in HEK293 cells assessed as cAMP accumulation by enzyme fragment complementation assay


J Med Chem 53: 3183-97 (2010)


Article DOI: 10.1021/jm9017866
BindingDB Entry DOI: 10.7270/Q20G3M4T
More data for this
Ligand-Target Pair
Melanocortin receptor 3 (MC3R)


(Homo sapiens (Human))
BDBM50315685
PNG
(((3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrol...)
Show SMILES CCC[C@]1(O)[C@@H](C)CN(C[C@H]1C)C(=O)[C@@H]1CN(C[C@H]1c1ccc(F)cc1F)C(C)(C)C |r|
Show InChI InChI=1S/C25H38F2N2O2/c1-7-10-25(31)16(2)12-28(13-17(25)3)23(30)21-15-29(24(4,5)6)14-20(21)19-9-8-18(26)11-22(19)27/h8-9,11,16-17,20-21,31H,7,10,12-15H2,1-6H3/t16-,17+,20-,21+,25-/m0/s1
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/an/an/a>2.47E+4n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant MC3 receptor expressed in CHO cells assessed as cAMP accumulation by enzyme fragment complementation assay


J Med Chem 53: 3183-97 (2010)


Article DOI: 10.1021/jm9017866
BindingDB Entry DOI: 10.7270/Q20G3M4T
More data for this
Ligand-Target Pair