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BDBM50315672 ((3R,4S)-4-(2,4-difluorophenyl)-1-(pyridazin-3-yl)pyrrolidin-3-yl)((3S,4S,5R)-4-hydroxy-3,5-dimethyl-4-(pyridin-2-yl)piperidin-1-yl)methanone::CHEMBL1089461

SMILES: C[C@H]1CN(C[C@@H](C)[C@]1(O)c1ccccn1)C(=O)[C@H]1CN(C[C@@H]1c1ccc(F)cc1F)c1cccnn1

InChI Key: InChIKey=VAGCPIHLOMMMDJ-SYRFRKFLSA-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 = 50315672   
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))
BDBM50315672
PNG
(((3R,4S)-4-(2,4-difluorophenyl)-1-(pyridazin-3-yl)...)
Show SMILES C[C@H]1CN(C[C@@H](C)[C@]1(O)c1ccccn1)C(=O)[C@H]1CN(C[C@@H]1c1ccc(F)cc1F)c1cccnn1 |r|
Show InChI InChI=1S/C27H29F2N5O2/c1-17-13-34(14-18(2)27(17,36)24-6-3-4-10-30-24)26(35)22-16-33(25-7-5-11-31-32-25)15-21(22)20-9-8-19(28)12-23(20)29/h3-12,17-18,21-22,36H,13-16H2,1-2H3/t17-,18+,21-,22+,27-/m1/s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
52n/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
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50315672
PNG
(((3R,4S)-4-(2,4-difluorophenyl)-1-(pyridazin-3-yl)...)
Show SMILES C[C@H]1CN(C[C@@H](C)[C@]1(O)c1ccccn1)C(=O)[C@H]1CN(C[C@@H]1c1ccc(F)cc1F)c1cccnn1 |r|
Show InChI InChI=1S/C27H29F2N5O2/c1-17-13-34(14-18(2)27(17,36)24-6-3-4-10-30-24)26(35)22-16-33(25-7-5-11-31-32-25)15-21(22)20-9-8-19(28)12-23(20)29/h3-12,17-18,21-22,36H,13-16H2,1-2H3/t17-,18+,21-,22+,27-/m1/s1
KEGG

UniProtKB/SwissProt

antibodypedia
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 1.85E+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))
BDBM50315672
PNG
(((3R,4S)-4-(2,4-difluorophenyl)-1-(pyridazin-3-yl)...)
Show SMILES C[C@H]1CN(C[C@@H](C)[C@]1(O)c1ccccn1)C(=O)[C@H]1CN(C[C@@H]1c1ccc(F)cc1F)c1cccnn1 |r|
Show InChI InChI=1S/C27H29F2N5O2/c1-17-13-34(14-18(2)27(17,36)24-6-3-4-10-30-24)26(35)22-16-33(25-7-5-11-31-32-25)15-21(22)20-9-8-19(28)12-23(20)29/h3-12,17-18,21-22,36H,13-16H2,1-2H3/t17-,18+,21-,22+,27-/m1/s1
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 3.66E+3n/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
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50315672
PNG
(((3R,4S)-4-(2,4-difluorophenyl)-1-(pyridazin-3-yl)...)
Show SMILES C[C@H]1CN(C[C@@H](C)[C@]1(O)c1ccccn1)C(=O)[C@H]1CN(C[C@@H]1c1ccc(F)cc1F)c1cccnn1 |r|
Show InChI InChI=1S/C27H29F2N5O2/c1-17-13-34(14-18(2)27(17,36)24-6-3-4-10-30-24)26(35)22-16-33(25-7-5-11-31-32-25)15-21(22)20-9-8-19(28)12-23(20)29/h3-12,17-18,21-22,36H,13-16H2,1-2H3/t17-,18+,21-,22+,27-/m1/s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 7n/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