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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Melanocyte-stimulating hormone receptor' and Ligand = 'BDBM50211392'   
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
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50211392
PNG
(Ac-Nle4-cyclo(Asp5-Pro6-D-4,4'-Bip7-Pro8-Trp9-Lys1...)
Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCCN2C(=O)[C@H](Cc2ccc(cc2)-c2ccccc2)NC(=O)[C@@H]2CCCN2C1=O)C(N)=O
Show InChI InChI=1S/C54H68N10O9/c1-3-4-17-41(58-33(2)65)49(68)61-44-31-47(66)56-26-11-10-19-40(48(55)67)59-50(69)42(30-37-32-57-39-18-9-8-16-38(37)39)60-51(70)45-20-12-27-63(45)53(72)43(62-52(71)46-21-13-28-64(46)54(44)73)29-34-22-24-36(25-23-34)35-14-6-5-7-15-35/h5-9,14-16,18,22-25,32,40-46,57H,3-4,10-13,17,19-21,26-31H2,1-2H3,(H2,55,67)(H,56,66)(H,58,65)(H,59,69)(H,60,70)(H,61,68)(H,62,71)/t40?,41-,42-,43-,44-,45-,46-/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 65n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]NDPalphaMSH from human cloned melanocortin receptor 1b expressed in CHO cells


J Med Chem 50: 2520-6 (2007)


Article DOI: 10.1021/jm0614275
BindingDB Entry DOI: 10.7270/Q2JQ10QM
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50211392
PNG
(Ac-Nle4-cyclo(Asp5-Pro6-D-4,4'-Bip7-Pro8-Trp9-Lys1...)
Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCCN2C(=O)[C@H](Cc2ccc(cc2)-c2ccccc2)NC(=O)[C@@H]2CCCN2C1=O)C(N)=O
Show InChI InChI=1S/C54H68N10O9/c1-3-4-17-41(58-33(2)65)49(68)61-44-31-47(66)56-26-11-10-19-40(48(55)67)59-50(69)42(30-37-32-57-39-18-9-8-16-38(37)39)60-51(70)45-20-12-27-63(45)53(72)43(62-52(71)46-21-13-28-64(46)54(44)73)29-34-22-24-36(25-23-34)35-14-6-5-7-15-35/h5-9,14-16,18,22-25,32,40-46,57H,3-4,10-13,17,19-21,26-31H2,1-2H3,(H2,55,67)(H,56,66)(H,58,65)(H,59,69)(H,60,70)(H,61,68)(H,62,71)/t40?,41-,42-,43-,44-,45-,46-/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 28n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human melanocortin receptor 1b expressed in CHO cells assessed as cAMP accumulation


J Med Chem 50: 2520-6 (2007)


Article DOI: 10.1021/jm0614275
BindingDB Entry DOI: 10.7270/Q2JQ10QM
More data for this
Ligand-Target Pair