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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 = 'BDBM50141026'   
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))
BDBM50141026
PNG
(1N-(1-carbamoyl-2-hydroxypropyl)-15-[3-amino(imino...)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H]1CSSC[C@H](NC(=O)[C@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N1)C(N)=O
Show InChI InChI=1S/C51H65N15O9S2/c1-28(67)42(43(53)68)66-50(75)41-26-77-76-25-40(64-44(69)34(52)19-29-11-4-2-5-12-29)49(74)63-39(22-32-24-56-27-59-32)48(73)61-37(20-30-13-6-3-7-14-30)46(71)60-36(17-10-18-57-51(54)55)45(70)62-38(47(72)65-41)21-31-23-58-35-16-9-8-15-33(31)35/h2-9,11-16,23-24,27-28,34,36-42,58,67H,10,17-22,25-26,52H2,1H3,(H2,53,68)(H,56,59)(H,60,71)(H,61,73)(H,62,70)(H,63,74)(H,64,69)(H,65,72)(H,66,75)(H4,54,55,57)/t28-,34-,36+,37+,38-,39+,40+,41-,42+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 10n/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Effective concentration required for maximum agonist response at melanocortin 1 receptor from frog skin.


J Med Chem 47: 1514-26 (2004)


Article DOI: 10.1021/jm030452x
BindingDB Entry DOI: 10.7270/Q2XP75PK
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Mus musculus)
BDBM50141026
PNG
(1N-(1-carbamoyl-2-hydroxypropyl)-15-[3-amino(imino...)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H]1CSSC[C@H](NC(=O)[C@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N1)C(N)=O
Show InChI InChI=1S/C51H65N15O9S2/c1-28(67)42(43(53)68)66-50(75)41-26-77-76-25-40(64-44(69)34(52)19-29-11-4-2-5-12-29)49(74)63-39(22-32-24-56-27-59-32)48(73)61-37(20-30-13-6-3-7-14-30)46(71)60-36(17-10-18-57-51(54)55)45(70)62-38(47(72)65-41)21-31-23-58-35-16-9-8-15-33(31)35/h2-9,11-16,23-24,27-28,34,36-42,58,67H,10,17-22,25-26,52H2,1H3,(H2,53,68)(H,56,59)(H,60,71)(H,61,73)(H,62,70)(H,63,74)(H,64,69)(H,65,72)(H,66,75)(H4,54,55,57)/t28-,34-,36+,37+,38-,39+,40+,41-,42+/m1/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 1.5n/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Maximal agonist response of mouse melanocortin 1 receptor (MC1R)


J Med Chem 47: 1514-26 (2004)


Article DOI: 10.1021/jm030452x
BindingDB Entry DOI: 10.7270/Q2XP75PK
More data for this
Ligand-Target Pair