BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Melanocortin receptor 3 (MC3R)' and Ligand = 'BDBM50134954'   
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 3 (MC3R)


(Homo sapiens (Human))
BDBM50134954
PNG
(CHEMBL439128 | H-Tyr-Val-Nle-c[Cys-His-Phe-Arg-Trp...)
Show SMILES CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)N[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)CNC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O
Show InChI InChI=1S/C77H105N23O14S2/c1-4-5-21-53(94-75(114)64(43(2)3)100-65(104)51(78)31-46-25-27-49(101)28-26-46)70(109)98-60-40-115-116-41-61(74(113)93-55(24-15-30-86-77(82)83)68(107)95-56(66(105)88-38-62(79)102)32-44-16-8-6-9-17-44)99-72(111)58(34-47-36-87-52-22-13-12-20-50(47)52)97-69(108)54(23-14-29-85-76(80)81)92-71(110)57(33-45-18-10-7-11-19-45)96-73(112)59(35-48-37-84-42-90-48)91-63(103)39-89-67(60)106/h6-13,16-20,22,25-28,36-37,42-43,51,53-61,64,87,101H,4-5,14-15,21,23-24,29-35,38-41,78H2,1-3H3,(H2,79,102)(H,84,90)(H,88,105)(H,89,106)(H,91,103)(H,92,110)(H,93,113)(H,94,114)(H,95,107)(H,96,112)(H,97,108)(H,98,109)(H,99,111)(H,100,104)(H4,80,81,85)(H4,82,83,86)/t51-,53-,54-,55-,56-,57+,58-,59-,60+,61-,64-/m0/s1
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
6.80n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity against human Melanocortin 3 receptor by gamma-MCH displacement.


J Med Chem 46: 4965-73 (2003)


Article DOI: 10.1021/jm030119t
BindingDB Entry DOI: 10.7270/Q2SJ1K0P
More data for this
Ligand-Target Pair
Melanocortin receptor 3 (MC3R)


(Homo sapiens (Human))
BDBM50134954
PNG
(CHEMBL439128 | H-Tyr-Val-Nle-c[Cys-His-Phe-Arg-Trp...)
Show SMILES CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)N[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)CNC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O
Show InChI InChI=1S/C77H105N23O14S2/c1-4-5-21-53(94-75(114)64(43(2)3)100-65(104)51(78)31-46-25-27-49(101)28-26-46)70(109)98-60-40-115-116-41-61(74(113)93-55(24-15-30-86-77(82)83)68(107)95-56(66(105)88-38-62(79)102)32-44-16-8-6-9-17-44)99-72(111)58(34-47-36-87-52-22-13-12-20-50(47)52)97-69(108)54(23-14-29-85-76(80)81)92-71(110)57(33-45-18-10-7-11-19-45)96-73(112)59(35-48-37-84-42-90-48)91-63(103)39-89-67(60)106/h6-13,16-20,22,25-28,36-37,42-43,51,53-61,64,87,101H,4-5,14-15,21,23-24,29-35,38-41,78H2,1-3H3,(H2,79,102)(H,84,90)(H,88,105)(H,89,106)(H,91,103)(H,92,110)(H,93,113)(H,94,114)(H,95,107)(H,96,112)(H,97,108)(H,98,109)(H,99,111)(H,100,104)(H4,80,81,85)(H4,82,83,86)/t51-,53-,54-,55-,56-,57+,58-,59-,60+,61-,64-/m0/s1
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 4.20n/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Intracellular cAMP accumulation in human Melanocortin 3 receptor functional assay.


J Med Chem 46: 4965-73 (2003)


Article DOI: 10.1021/jm030119t
BindingDB Entry DOI: 10.7270/Q2SJ1K0P
More data for this
Ligand-Target Pair