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BDBM50214688 1-{4-[(1R)-2-(amino-3-methylbutyl)-6-fluorophenyl]-4-[(2R)-(3-aminopropionylamido)-3-(2,4-dichlorophenyl)propionyl]}-piperazine::CHEMBL236014

SMILES: CC(C)C[C@H](N)c1cccc(F)c1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)CCN

InChI Key: InChIKey=AEZCRBIFPKXUGD-BJKOFHAPSA-N

Data: 3 KI

Find this compound or compounds like it in BindingDB or PDB:
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50214688   
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))
BDBM50214688
PNG
(1-{4-[(1R)-2-(amino-3-methylbutyl)-6-fluorophenyl]...)
Show SMILES CC(C)C[C@H](N)c1cccc(F)c1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)CCN
Show InChI InChI=1S/C27H36Cl2FN5O2/c1-17(2)14-23(32)20-4-3-5-22(30)26(20)34-10-12-35(13-11-34)27(37)24(33-25(36)8-9-31)15-18-6-7-19(28)16-21(18)29/h3-7,16-17,23-24H,8-15,31-32H2,1-2H3,(H,33,36)/t23-,24+/m0/s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.800n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from MC4R receptor in HEK293 cells


Bioorg Med Chem 15: 5166-76 (2007)


Article DOI: 10.1016/j.bmc.2007.05.026
BindingDB Entry DOI: 10.7270/Q2FF3S2P
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Homo sapiens (Human))
BDBM50214688
PNG
(1-{4-[(1R)-2-(amino-3-methylbutyl)-6-fluorophenyl]...)
Show SMILES CC(C)C[C@H](N)c1cccc(F)c1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)CCN
Show InChI InChI=1S/C27H36Cl2FN5O2/c1-17(2)14-23(32)20-4-3-5-22(30)26(20)34-10-12-35(13-11-34)27(37)24(33-25(36)8-9-31)15-18-6-7-19(28)16-21(18)29/h3-7,16-17,23-24H,8-15,31-32H2,1-2H3,(H,33,36)/t23-,24+/m0/s1
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
240n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from MC5R receptor in HEK293 cells


Bioorg Med Chem 15: 5166-76 (2007)


Article DOI: 10.1016/j.bmc.2007.05.026
BindingDB Entry DOI: 10.7270/Q2FF3S2P
More data for this
Ligand-Target Pair
Melanocortin receptor 3 (MC3R)


(Homo sapiens (Human))
BDBM50214688
PNG
(1-{4-[(1R)-2-(amino-3-methylbutyl)-6-fluorophenyl]...)
Show SMILES CC(C)C[C@H](N)c1cccc(F)c1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)CCN
Show InChI InChI=1S/C27H36Cl2FN5O2/c1-17(2)14-23(32)20-4-3-5-22(30)26(20)34-10-12-35(13-11-34)27(37)24(33-25(36)8-9-31)15-18-6-7-19(28)16-21(18)29/h3-7,16-17,23-24H,8-15,31-32H2,1-2H3,(H,33,36)/t23-,24+/m0/s1
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
450n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from MC3R receptor in HEK293 cells


Bioorg Med Chem 15: 5166-76 (2007)


Article DOI: 10.1016/j.bmc.2007.05.026
BindingDB Entry DOI: 10.7270/Q2FF3S2P
More data for this
Ligand-Target Pair