BindingDB logo
myBDB logout

BDBM50211383 Ac-Nle4-cyclo(Asp5-Pro6-D-4,4'-Bip7-Pip8-Trp9-Lys10)-NH2::CHEMBL2371963

SMILES: [H][C@@]12CCCN1C(=O)[C@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)[C@]1([H])CCCN1C(=O)[C@H](CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c3ccccc13)NC2=O)C(N)=O)NC(=O)[C@H](CCCC)NC(C)=O

InChI Key: InChIKey=QOZPHXSKYHWXNY-WDVALIOISA-N

Data: 4 IC50  2 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50211383   
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 5 (MC5R)


(Homo sapiens (Human))
BDBM50211383
PNG
(Ac-Nle4-cyclo(Asp5-Pro6-D-4,4'-Bip7-Pip8-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]2CCCN2C(=O)[C@H](Cc2ccc(cc2)-c2ccccc2)NC(=O)[C@@H]2CCCN2C1=O)C(N)=O
Show InChI InChI=1S/C55H70N10O9/c1-3-4-18-42(59-34(2)66)50(69)62-45-32-48(67)57-27-12-10-20-41(49(56)68)60-51(70)43(31-38-33-58-40-19-9-8-17-39(38)40)61-52(71)46-21-11-13-28-64(46)54(73)44(63-53(72)47-22-14-29-65(47)55(45)74)30-35-23-25-37(26-24-35)36-15-6-5-7-16-36/h5-9,15-17,19,23-26,33,41-47,58H,3-4,10-14,18,20-22,27-32H2,1-2H3,(H2,56,68)(H,57,67)(H,59,66)(H,60,70)(H,61,71)(H,62,69)(H,63,72)/t41?,42-,43-,44-,45-,46-,47-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 1.60n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human MC5R 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
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50211383
PNG
(Ac-Nle4-cyclo(Asp5-Pro6-D-4,4'-Bip7-Pip8-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]2CCCN2C(=O)[C@H](Cc2ccc(cc2)-c2ccccc2)NC(=O)[C@@H]2CCCN2C1=O)C(N)=O
Show InChI InChI=1S/C55H70N10O9/c1-3-4-18-42(59-34(2)66)50(69)62-45-32-48(67)57-27-12-10-20-41(49(56)68)60-51(70)43(31-38-33-58-40-19-9-8-17-39(38)40)61-52(71)46-21-11-13-28-64(46)54(73)44(63-53(72)47-22-14-29-65(47)55(45)74)30-35-23-25-37(26-24-35)36-15-6-5-7-16-36/h5-9,15-17,19,23-26,33,41-47,58H,3-4,10-14,18,20-22,27-32H2,1-2H3,(H2,56,68)(H,57,67)(H,59,66)(H,60,70)(H,61,71)(H,62,69)(H,63,72)/t41?,42-,43-,44-,45-,46-,47-/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 350n/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
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50211383
PNG
(Ac-Nle4-cyclo(Asp5-Pro6-D-4,4'-Bip7-Pip8-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]2CCCN2C(=O)[C@H](Cc2ccc(cc2)-c2ccccc2)NC(=O)[C@@H]2CCCN2C1=O)C(N)=O
Show InChI InChI=1S/C55H70N10O9/c1-3-4-18-42(59-34(2)66)50(69)62-45-32-48(67)57-27-12-10-20-41(49(56)68)60-51(70)43(31-38-33-58-40-19-9-8-17-39(38)40)61-52(71)46-21-11-13-28-64(46)54(73)44(63-53(72)47-22-14-29-65(47)55(45)74)30-35-23-25-37(26-24-35)36-15-6-5-7-16-36/h5-9,15-17,19,23-26,33,41-47,58H,3-4,10-14,18,20-22,27-32H2,1-2H3,(H2,56,68)(H,57,67)(H,59,66)(H,60,70)(H,61,71)(H,62,69)(H,63,72)/t41?,42-,43-,44-,45-,46-,47-/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]NDPalphaMSH from human cloned MC4R 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
Melanocortin receptor 5 (MC5R)


(Homo sapiens (Human))
BDBM50211383
PNG
(Ac-Nle4-cyclo(Asp5-Pro6-D-4,4'-Bip7-Pip8-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]2CCCN2C(=O)[C@H](Cc2ccc(cc2)-c2ccccc2)NC(=O)[C@@H]2CCCN2C1=O)C(N)=O
Show InChI InChI=1S/C55H70N10O9/c1-3-4-18-42(59-34(2)66)50(69)62-45-32-48(67)57-27-12-10-20-41(49(56)68)60-51(70)43(31-38-33-58-40-19-9-8-17-39(38)40)61-52(71)46-21-11-13-28-64(46)54(73)44(63-53(72)47-22-14-29-65(47)55(45)74)30-35-23-25-37(26-24-35)36-15-6-5-7-16-36/h5-9,15-17,19,23-26,33,41-47,58H,3-4,10-14,18,20-22,27-32H2,1-2H3,(H2,56,68)(H,57,67)(H,59,66)(H,60,70)(H,61,71)(H,62,69)(H,63,72)/t41?,42-,43-,44-,45-,46-,47-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.90n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]NDPalphaMSH from human cloned MC5R 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))
BDBM50211383
PNG
(Ac-Nle4-cyclo(Asp5-Pro6-D-4,4'-Bip7-Pip8-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]2CCCN2C(=O)[C@H](Cc2ccc(cc2)-c2ccccc2)NC(=O)[C@@H]2CCCN2C1=O)C(N)=O
Show InChI InChI=1S/C55H70N10O9/c1-3-4-18-42(59-34(2)66)50(69)62-45-32-48(67)57-27-12-10-20-41(49(56)68)60-51(70)43(31-38-33-58-40-19-9-8-17-39(38)40)61-52(71)46-21-11-13-28-64(46)54(73)44(63-53(72)47-22-14-29-65(47)55(45)74)30-35-23-25-37(26-24-35)36-15-6-5-7-16-36/h5-9,15-17,19,23-26,33,41-47,58H,3-4,10-14,18,20-22,27-32H2,1-2H3,(H2,56,68)(H,57,67)(H,59,66)(H,60,70)(H,61,71)(H,62,69)(H,63,72)/t41?,42-,43-,44-,45-,46-,47-/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.10E+3n/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
Melanocortin receptor 3 (MC3R)


(Homo sapiens (Human))
BDBM50211383
PNG
(Ac-Nle4-cyclo(Asp5-Pro6-D-4,4'-Bip7-Pip8-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]2CCCN2C(=O)[C@H](Cc2ccc(cc2)-c2ccccc2)NC(=O)[C@@H]2CCCN2C1=O)C(N)=O
Show InChI InChI=1S/C55H70N10O9/c1-3-4-18-42(59-34(2)66)50(69)62-45-32-48(67)57-27-12-10-20-41(49(56)68)60-51(70)43(31-38-33-58-40-19-9-8-17-39(38)40)61-52(71)46-21-11-13-28-64(46)54(73)44(63-53(72)47-22-14-29-65(47)55(45)74)30-35-23-25-37(26-24-35)36-15-6-5-7-16-36/h5-9,15-17,19,23-26,33,41-47,58H,3-4,10-14,18,20-22,27-32H2,1-2H3,(H2,56,68)(H,57,67)(H,59,66)(H,60,70)(H,61,71)(H,62,69)(H,63,72)/t41?,42-,43-,44-,45-,46-,47-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 630n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]NDPalphaMSH from human cloned MC3R 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