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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Melanocortin receptor 4' and Ligand = 'BDBM50329961'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50329961
PNG
(((3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrol...)
Show SMILES Cc1nnc(o1)C(C)(C)[C@H]1CC2(CCN(CC2)C(=O)[C@@H]2CN(C[C@H]2c2ccc(F)cc2F)C(C)(C)C)c2cc(Cl)c(C)cc12 |r|
Show InChI InChI=1S/C35H43ClF2N4O2/c1-20-14-24-27(16-29(20)36)35(17-28(24)34(6,7)32-40-39-21(2)44-32)10-12-41(13-11-35)31(43)26-19-42(33(3,4)5)18-25(26)23-9-8-22(37)15-30(23)38/h8-9,14-16,25-26,28H,10-13,17-19H2,1-7H3/t25-,26+,28-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.90n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human MC4 receptor


Bioorg Med Chem Lett 20: 6524-32 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.049
BindingDB Entry DOI: 10.7270/Q24M94SF
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50329961
PNG
(((3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrol...)
Show SMILES Cc1nnc(o1)C(C)(C)[C@H]1CC2(CCN(CC2)C(=O)[C@@H]2CN(C[C@H]2c2ccc(F)cc2F)C(C)(C)C)c2cc(Cl)c(C)cc12 |r|
Show InChI InChI=1S/C35H43ClF2N4O2/c1-20-14-24-27(16-29(20)36)35(17-28(24)34(6,7)32-40-39-21(2)44-32)10-12-41(13-11-35)31(43)26-19-42(33(3,4)5)18-25(26)23-9-8-22(37)15-30(23)38/h8-9,14-16,25-26,28H,10-13,17-19H2,1-7H3/t25-,26+,28-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 2.30n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human MC4 receptor


Bioorg Med Chem Lett 20: 6524-32 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.049
BindingDB Entry DOI: 10.7270/Q24M94SF
More data for this
Ligand-Target Pair