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SMILES: CC(C)C[C@H](NC(=O)CCN(C)C)c1cc(C)ccc1N1CCN(CC1)C(=O)[C@H](C)Cc1ccc(Cl)cc1

InChI Key: InChIKey=WVDXXZITSATFRU-YWEHKCAJSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50226631   
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))
BDBM50226631
PNG
(CHEMBL235556 | N-(1S-[2-{4-[(2R)-methyl-3-(4-chlor...)
Show SMILES CC(C)C[C@H](NC(=O)CCN(C)C)c1cc(C)ccc1N1CCN(CC1)C(=O)[C@H](C)Cc1ccc(Cl)cc1
Show InChI InChI=1S/C31H45ClN4O2/c1-22(2)19-28(33-30(37)13-14-34(5)6)27-20-23(3)7-12-29(27)35-15-17-36(18-16-35)31(38)24(4)21-25-8-10-26(32)11-9-25/h7-12,20,22,24,28H,13-19,21H2,1-6H3,(H,33,37)/t24-,28+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
3.70n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]NDPMSH from human MC4R expressed in HEK293 cells


J Med Chem 50: 6356-66 (2007)


Article DOI: 10.1021/jm701137s
BindingDB Entry DOI: 10.7270/Q2P84BM9
More data for this
Ligand-Target Pair
Melanocortin receptor 5


(Homo sapiens (Human))
BDBM50226631
PNG
(CHEMBL235556 | N-(1S-[2-{4-[(2R)-methyl-3-(4-chlor...)
Show SMILES CC(C)C[C@H](NC(=O)CCN(C)C)c1cc(C)ccc1N1CCN(CC1)C(=O)[C@H](C)Cc1ccc(Cl)cc1
Show InChI InChI=1S/C31H45ClN4O2/c1-22(2)19-28(33-30(37)13-14-34(5)6)27-20-23(3)7-12-29(27)35-15-17-36(18-16-35)31(38)24(4)21-25-8-10-26(32)11-9-25/h7-12,20,22,24,28H,13-19,21H2,1-6H3,(H,33,37)/t24-,28+/m1/s1
UniProtKB/SwissProt

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PC sid
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Article
PubMed
710n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]NDPMSH from human MC5R expressed in HEK293 cells


J Med Chem 50: 6356-66 (2007)


Article DOI: 10.1021/jm701137s
BindingDB Entry DOI: 10.7270/Q2P84BM9
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))
BDBM50226631
PNG
(CHEMBL235556 | N-(1S-[2-{4-[(2R)-methyl-3-(4-chlor...)
Show SMILES CC(C)C[C@H](NC(=O)CCN(C)C)c1cc(C)ccc1N1CCN(CC1)C(=O)[C@H](C)Cc1ccc(Cl)cc1
Show InChI InChI=1S/C31H45ClN4O2/c1-22(2)19-28(33-30(37)13-14-34(5)6)27-20-23(3)7-12-29(27)35-15-17-36(18-16-35)31(38)24(4)21-25-8-10-26(32)11-9-25/h7-12,20,22,24,28H,13-19,21H2,1-6H3,(H,33,37)/t24-,28+/m1/s1
UniProtKB/SwissProt

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PubMed
2.80E+3n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]NDPMSH from human MC3R expressed in HEK293 cells


J Med Chem 50: 6356-66 (2007)


Article DOI: 10.1021/jm701137s
BindingDB Entry DOI: 10.7270/Q2P84BM9
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50226631
PNG
(CHEMBL235556 | N-(1S-[2-{4-[(2R)-methyl-3-(4-chlor...)
Show SMILES CC(C)C[C@H](NC(=O)CCN(C)C)c1cc(C)ccc1N1CCN(CC1)C(=O)[C@H](C)Cc1ccc(Cl)cc1
Show InChI InChI=1S/C31H45ClN4O2/c1-22(2)19-28(33-30(37)13-14-34(5)6)27-20-23(3)7-12-29(27)35-15-17-36(18-16-35)31(38)24(4)21-25-8-10-26(32)11-9-25/h7-12,20,22,24,28H,13-19,21H2,1-6H3,(H,33,37)/t24-,28+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
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PubMed
n/an/a 160n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human MC4R expressed in HEK293 cells assessed as inhibition of alpha-MSH-stimulated cAMP production


J Med Chem 50: 6356-66 (2007)


Article DOI: 10.1021/jm701137s
BindingDB Entry DOI: 10.7270/Q2P84BM9
More data for this
Ligand-Target Pair