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BDBM50389770 CHEMBL2070242

SMILES: CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)CNC(C)=O)C(=O)N[C@H]1CCC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O)C(N)=O

InChI Key: InChIKey=LMTCYYTZYVZVDJ-WCHRTOSNSA-N

Data: 4 KI  1 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 5 hits for monomerid = 50389770   
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))
BDBM50389770
PNG
(CHEMBL2070242)
Show SMILES CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)CNC(C)=O)C(=O)N[C@H]1CCC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O)C(N)=O
Show InChI InChI=1S/C69H99N21O18/c1-3-4-16-45(83-66(106)53(35-92)89-64(104)51(28-40-31-74-36-79-40)87-61(101)47(20-22-55(70)95)84-65(105)52(34-91)80-57(97)32-77-37(2)93)59(99)85-48-21-23-56(96)75-24-11-10-18-44(58(71)98)81-63(103)50(27-39-30-78-43-17-9-8-15-42(39)43)86-60(100)46(19-12-25-76-69(72)73)82-62(102)49(26-38-13-6-5-7-14-38)88-67(107)54-29-41(94)33-90(54)68(48)108/h5-9,13-15,17,30-31,36,41,44-54,78,91-92,94H,3-4,10-12,16,18-29,32-35H2,1-2H3,(H2,70,95)(H2,71,98)(H,74,79)(H,75,96)(H,77,93)(H,80,97)(H,81,103)(H,82,102)(H,83,106)(H,84,105)(H,85,99)(H,86,100)(H,87,101)(H,88,107)(H,89,104)(H4,72,73,76)/t41-,44+,45+,46+,47+,48+,49-,50+,51+,52+,53+,54+/m1/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
4.60n/an/an/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Displacement of [125I]-NAD-alpha-MSH from MC4 receptor after 2 hrs by gamma counting in presence of ovalbumin


J Med Chem 55: 1969-77 (2012)


Article DOI: 10.1021/jm201489a
BindingDB Entry DOI: 10.7270/Q2DN464P
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Homo sapiens (Human))
BDBM50389770
PNG
(CHEMBL2070242)
Show SMILES CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)CNC(C)=O)C(=O)N[C@H]1CCC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O)C(N)=O
Show InChI InChI=1S/C69H99N21O18/c1-3-4-16-45(83-66(106)53(35-92)89-64(104)51(28-40-31-74-36-79-40)87-61(101)47(20-22-55(70)95)84-65(105)52(34-91)80-57(97)32-77-37(2)93)59(99)85-48-21-23-56(96)75-24-11-10-18-44(58(71)98)81-63(103)50(27-39-30-78-43-17-9-8-15-42(39)43)86-60(100)46(19-12-25-76-69(72)73)82-62(102)49(26-38-13-6-5-7-14-38)88-67(107)54-29-41(94)33-90(54)68(48)108/h5-9,13-15,17,30-31,36,41,44-54,78,91-92,94H,3-4,10-12,16,18-29,32-35H2,1-2H3,(H2,70,95)(H2,71,98)(H,74,79)(H,75,96)(H,77,93)(H,80,97)(H,81,103)(H,82,102)(H,83,106)(H,84,105)(H,85,99)(H,86,100)(H,87,101)(H,88,107)(H,89,104)(H4,72,73,76)/t41-,44+,45+,46+,47+,48+,49-,50+,51+,52+,53+,54+/m1/s1
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
5.10n/an/an/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Displacement of [125I]-NAD-alpha-MSH from human recombinant MC3 receptor human MC5 expressed in BHK570 cells after 1 hr in presence of ovalbumin


J Med Chem 55: 1969-77 (2012)


Article DOI: 10.1021/jm201489a
BindingDB Entry DOI: 10.7270/Q2DN464P
More data for this
Ligand-Target Pair
Melanocortin receptor 3 (MC3R)


(Homo sapiens (Human))
BDBM50389770
PNG
(CHEMBL2070242)
Show SMILES CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)CNC(C)=O)C(=O)N[C@H]1CCC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O)C(N)=O
Show InChI InChI=1S/C69H99N21O18/c1-3-4-16-45(83-66(106)53(35-92)89-64(104)51(28-40-31-74-36-79-40)87-61(101)47(20-22-55(70)95)84-65(105)52(34-91)80-57(97)32-77-37(2)93)59(99)85-48-21-23-56(96)75-24-11-10-18-44(58(71)98)81-63(103)50(27-39-30-78-43-17-9-8-15-42(39)43)86-60(100)46(19-12-25-76-69(72)73)82-62(102)49(26-38-13-6-5-7-14-38)88-67(107)54-29-41(94)33-90(54)68(48)108/h5-9,13-15,17,30-31,36,41,44-54,78,91-92,94H,3-4,10-12,16,18-29,32-35H2,1-2H3,(H2,70,95)(H2,71,98)(H,74,79)(H,75,96)(H,77,93)(H,80,97)(H,81,103)(H,82,102)(H,83,106)(H,84,105)(H,85,99)(H,86,100)(H,87,101)(H,88,107)(H,89,104)(H4,72,73,76)/t41-,44+,45+,46+,47+,48+,49-,50+,51+,52+,53+,54+/m1/s1
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
45n/an/an/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Displacement of [125I]-NAD-alpha-MSH from human recombinant MC3 receptor expressed in BHK570 cells after 1 hr in presence of ovalbumin


J Med Chem 55: 1969-77 (2012)


Article DOI: 10.1021/jm201489a
BindingDB Entry DOI: 10.7270/Q2DN464P
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50389770
PNG
(CHEMBL2070242)
Show SMILES CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)CNC(C)=O)C(=O)N[C@H]1CCC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O)C(N)=O
Show InChI InChI=1S/C69H99N21O18/c1-3-4-16-45(83-66(106)53(35-92)89-64(104)51(28-40-31-74-36-79-40)87-61(101)47(20-22-55(70)95)84-65(105)52(34-91)80-57(97)32-77-37(2)93)59(99)85-48-21-23-56(96)75-24-11-10-18-44(58(71)98)81-63(103)50(27-39-30-78-43-17-9-8-15-42(39)43)86-60(100)46(19-12-25-76-69(72)73)82-62(102)49(26-38-13-6-5-7-14-38)88-67(107)54-29-41(94)33-90(54)68(48)108/h5-9,13-15,17,30-31,36,41,44-54,78,91-92,94H,3-4,10-12,16,18-29,32-35H2,1-2H3,(H2,70,95)(H2,71,98)(H,74,79)(H,75,96)(H,77,93)(H,80,97)(H,81,103)(H,82,102)(H,83,106)(H,84,105)(H,85,99)(H,86,100)(H,87,101)(H,88,107)(H,89,104)(H4,72,73,76)/t41-,44+,45+,46+,47+,48+,49-,50+,51+,52+,53+,54+/m1/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
200n/an/an/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Displacement of [125I]-NAD-alpha-MSH from human recombinant MC1 receptor expressed in BHK570 cells after 90 mins in presence of ovalbumin


J Med Chem 55: 1969-77 (2012)


Article DOI: 10.1021/jm201489a
BindingDB Entry DOI: 10.7270/Q2DN464P
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50389770
PNG
(CHEMBL2070242)
Show SMILES CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)CNC(C)=O)C(=O)N[C@H]1CCC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O)C(N)=O
Show InChI InChI=1S/C69H99N21O18/c1-3-4-16-45(83-66(106)53(35-92)89-64(104)51(28-40-31-74-36-79-40)87-61(101)47(20-22-55(70)95)84-65(105)52(34-91)80-57(97)32-77-37(2)93)59(99)85-48-21-23-56(96)75-24-11-10-18-44(58(71)98)81-63(103)50(27-39-30-78-43-17-9-8-15-42(39)43)86-60(100)46(19-12-25-76-69(72)73)82-62(102)49(26-38-13-6-5-7-14-38)88-67(107)54-29-41(94)33-90(54)68(48)108/h5-9,13-15,17,30-31,36,41,44-54,78,91-92,94H,3-4,10-12,16,18-29,32-35H2,1-2H3,(H2,70,95)(H2,71,98)(H,74,79)(H,75,96)(H,77,93)(H,80,97)(H,81,103)(H,82,102)(H,83,106)(H,84,105)(H,85,99)(H,86,100)(H,87,101)(H,88,107)(H,89,104)(H4,72,73,76)/t41-,44+,45+,46+,47+,48+,49-,50+,51+,52+,53+,54+/m1/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 2n/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant MC4 receptor expressed in BHK570 cells assessed as induction of cMAP accumulation in presence of 0.1% human ser...


J Med Chem 55: 1969-77 (2012)


Article DOI: 10.1021/jm201489a
BindingDB Entry DOI: 10.7270/Q2DN464P
More data for this
Ligand-Target Pair