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BDBM50165928 Ac-[CEHdFRWC]-NH2::CHEMBL385556

SMILES: CC(=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)[C@@H](CCC(O)=O)NC1=O)C(N)=O

InChI Key: InChIKey=DCRRHKOGXQUJTJ-VCFUPWAGSA-N

Data: 4 KI  1 EC50

Find this compound or compounds like it in BindingDB or PDB:
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50165928   
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))
BDBM50165928
PNG
(Ac-[CEHdFRWC]-NH2 | CHEMBL385556)
Show SMILES CC(=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)[C@@H](CCC(O)=O)NC1=O)C(N)=O
Show InChI InChI=1S/C45H58N14O10S2/c1-24(60)53-36-22-71-70-21-35(38(46)63)59-42(67)33(17-26-19-51-29-11-6-5-10-28(26)29)57-39(64)30(12-7-15-50-45(47)48)54-41(66)32(16-25-8-3-2-4-9-25)56-43(68)34(18-27-20-49-23-52-27)58-40(65)31(55-44(36)69)13-14-37(61)62/h2-6,8-11,19-20,23,30-36,51H,7,12-18,21-22H2,1H3,(H2,46,63)(H,49,52)(H,53,60)(H,54,66)(H,55,69)(H,56,68)(H,57,64)(H,58,65)(H,59,67)(H,61,62)(H4,47,48,50)/t30-,31+,32-,33+,34-,35+,36+/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125I]-NDP-alpha-MSH binding to melanocortin-4 receptor expressed in HEK293 cells


J Med Chem 48: 3095-8 (2005)

More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50165928
PNG
(Ac-[CEHdFRWC]-NH2 | CHEMBL385556)
Show SMILES CC(=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)[C@@H](CCC(O)=O)NC1=O)C(N)=O
Show InChI InChI=1S/C45H58N14O10S2/c1-24(60)53-36-22-71-70-21-35(38(46)63)59-42(67)33(17-26-19-51-29-11-6-5-10-28(26)29)57-39(64)30(12-7-15-50-45(47)48)54-41(66)32(16-25-8-3-2-4-9-25)56-43(68)34(18-27-20-49-23-52-27)58-40(65)31(55-44(36)69)13-14-37(61)62/h2-6,8-11,19-20,23,30-36,51H,7,12-18,21-22H2,1H3,(H2,46,63)(H,49,52)(H,53,60)(H,54,66)(H,55,69)(H,56,68)(H,57,64)(H,58,65)(H,59,67)(H,61,62)(H4,47,48,50)/t30-,31+,32-,33+,34-,35+,36+/m0/s1
KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
67n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125I]NDP-alpha-MSH binding to melanocortin-1 receptor expressed in HEK293 cells


J Med Chem 48: 3095-8 (2005)

More data for this
Ligand-Target Pair
Melanocortin receptor 3 (MC3R)


(Homo sapiens (Human))
BDBM50165928
PNG
(Ac-[CEHdFRWC]-NH2 | CHEMBL385556)
Show SMILES CC(=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)[C@@H](CCC(O)=O)NC1=O)C(N)=O
Show InChI InChI=1S/C45H58N14O10S2/c1-24(60)53-36-22-71-70-21-35(38(46)63)59-42(67)33(17-26-19-51-29-11-6-5-10-28(26)29)57-39(64)30(12-7-15-50-45(47)48)54-41(66)32(16-25-8-3-2-4-9-25)56-43(68)34(18-27-20-49-23-52-27)58-40(65)31(55-44(36)69)13-14-37(61)62/h2-6,8-11,19-20,23,30-36,51H,7,12-18,21-22H2,1H3,(H2,46,63)(H,49,52)(H,53,60)(H,54,66)(H,55,69)(H,56,68)(H,57,64)(H,58,65)(H,59,67)(H,61,62)(H4,47,48,50)/t30-,31+,32-,33+,34-,35+,36+/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
400n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125I]-NDP-alpha-MSH binding to melanocortin-3 receptor expressed in HEK293 cells


J Med Chem 48: 3095-8 (2005)

More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Homo sapiens (Human))
BDBM50165928
PNG
(Ac-[CEHdFRWC]-NH2 | CHEMBL385556)
Show SMILES CC(=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)[C@@H](CCC(O)=O)NC1=O)C(N)=O
Show InChI InChI=1S/C45H58N14O10S2/c1-24(60)53-36-22-71-70-21-35(38(46)63)59-42(67)33(17-26-19-51-29-11-6-5-10-28(26)29)57-39(64)30(12-7-15-50-45(47)48)54-41(66)32(16-25-8-3-2-4-9-25)56-43(68)34(18-27-20-49-23-52-27)58-40(65)31(55-44(36)69)13-14-37(61)62/h2-6,8-11,19-20,23,30-36,51H,7,12-18,21-22H2,1H3,(H2,46,63)(H,49,52)(H,53,60)(H,54,66)(H,55,69)(H,56,68)(H,57,64)(H,58,65)(H,59,67)(H,61,62)(H4,47,48,50)/t30-,31+,32-,33+,34-,35+,36+/m0/s1
UniProtKB/SwissProt

GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>500n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125I]NDP-alpha-MSH binding to melanocortin-5 receptor expressed in HEK293 cells


J Med Chem 48: 3095-8 (2005)

More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50165928
PNG
(Ac-[CEHdFRWC]-NH2 | CHEMBL385556)
Show SMILES CC(=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)[C@@H](CCC(O)=O)NC1=O)C(N)=O
Show InChI InChI=1S/C45H58N14O10S2/c1-24(60)53-36-22-71-70-21-35(38(46)63)59-42(67)33(17-26-19-51-29-11-6-5-10-28(26)29)57-39(64)30(12-7-15-50-45(47)48)54-41(66)32(16-25-8-3-2-4-9-25)56-43(68)34(18-27-20-49-23-52-27)58-40(65)31(55-44(36)69)13-14-37(61)62/h2-6,8-11,19-20,23,30-36,51H,7,12-18,21-22H2,1H3,(H2,46,63)(H,49,52)(H,53,60)(H,54,66)(H,55,69)(H,56,68)(H,57,64)(H,58,65)(H,59,67)(H,61,62)(H4,47,48,50)/t30-,31+,32-,33+,34-,35+,36+/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 0.300n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human Melanocortin-4 receptor as peptide required for 50% maximal cAMP release (n > or =2)


J Med Chem 48: 3095-8 (2005)

More data for this
Ligand-Target Pair