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BDBM50217729 CHEMBL237920::N-((1R,4r)-4-(((1r,4R)-4-aminocyclohexyl)methyl)cyclohexyl)-N-((Z)-2-chloro-3-phenylallyl)-4-(1H-indol-3-yl)butanamide

SMILES: N[C@H]1CC[C@H](C[C@H]2CC[C@@H](CC2)N(C\C(Cl)=C\c2ccccc2)C(=O)CCCc2c[nH]c3ccccc23)CC1

InChI Key: InChIKey=CRXBLMIVMQUQBT-SXQHKHJISA-N

Data: 4 KI

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 4 hits for monomerid = 50217729   
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 1


(Mus musculus)
BDBM50217729
PNG
(CHEMBL237920 | N-((1R,4r)-4-(((1r,4R)-4-aminocyclo...)
Show SMILES N[C@H]1CC[C@H](C[C@H]2CC[C@@H](CC2)N(C\C(Cl)=C\c2ccccc2)C(=O)CCCc2c[nH]c3ccccc23)CC1 |wU:6.5,4.4,wD:9.12,1.0,(13.39,-.93,;12.07,-1.7,;10.74,-.95,;9.41,-1.73,;9.43,-3.25,;8.11,-4.03,;8.13,-5.56,;9.48,-6.32,;9.5,-7.87,;8.16,-8.65,;6.81,-7.91,;6.8,-6.35,;8.19,-10.2,;6.84,-11.16,;5.33,-10.47,;5.32,-8.8,;3.98,-11.43,;2.51,-10.66,;2.45,-9.01,;.98,-8.24,;-.43,-9.13,;-.34,-10.79,;1.12,-11.55,;9.54,-10.96,;9.56,-12.51,;10.86,-10.17,;12.19,-10.9,;13.52,-10.13,;14.84,-10.89,;16.25,-10.22,;17.31,-11.34,;16.55,-12.68,;17.04,-14.12,;16.04,-15.27,;14.53,-14.97,;14.04,-13.53,;15.05,-12.38,;10.76,-4.01,;12.08,-3.24,)|
Show InChI InChI=1S/C34H44ClN3O/c35-29(22-25-7-2-1-3-8-25)24-38(31-19-15-27(16-20-31)21-26-13-17-30(36)18-14-26)34(39)12-6-9-28-23-37-33-11-5-4-10-32(28)33/h1-5,7-8,10-11,22-23,26-27,30-31,37H,6,9,12-21,24,36H2/b29-22-/t26-,27-,30-,31-
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.10E+3n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from MC1 receptor in mouse B16 cells


Bioorg Med Chem 15: 5787-810 (2007)


Article DOI: 10.1016/j.bmc.2007.06.003
BindingDB Entry DOI: 10.7270/Q2X066Q5
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50217729
PNG
(CHEMBL237920 | N-((1R,4r)-4-(((1r,4R)-4-aminocyclo...)
Show SMILES N[C@H]1CC[C@H](C[C@H]2CC[C@@H](CC2)N(C\C(Cl)=C\c2ccccc2)C(=O)CCCc2c[nH]c3ccccc23)CC1 |wU:6.5,4.4,wD:9.12,1.0,(13.39,-.93,;12.07,-1.7,;10.74,-.95,;9.41,-1.73,;9.43,-3.25,;8.11,-4.03,;8.13,-5.56,;9.48,-6.32,;9.5,-7.87,;8.16,-8.65,;6.81,-7.91,;6.8,-6.35,;8.19,-10.2,;6.84,-11.16,;5.33,-10.47,;5.32,-8.8,;3.98,-11.43,;2.51,-10.66,;2.45,-9.01,;.98,-8.24,;-.43,-9.13,;-.34,-10.79,;1.12,-11.55,;9.54,-10.96,;9.56,-12.51,;10.86,-10.17,;12.19,-10.9,;13.52,-10.13,;14.84,-10.89,;16.25,-10.22,;17.31,-11.34,;16.55,-12.68,;17.04,-14.12,;16.04,-15.27,;14.53,-14.97,;14.04,-13.53,;15.05,-12.38,;10.76,-4.01,;12.08,-3.24,)|
Show InChI InChI=1S/C34H44ClN3O/c35-29(22-25-7-2-1-3-8-25)24-38(31-19-15-27(16-20-31)21-26-13-17-30(36)18-14-26)34(39)12-6-9-28-23-37-33-11-5-4-10-32(28)33/h1-5,7-8,10-11,22-23,26-27,30-31,37H,6,9,12-21,24,36H2/b29-22-/t26-,27-,30-,31-
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
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PC cid
PC sid
UniChem

Similars

Article
PubMed
6.80E+3n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from human recombinant MC4 receptor expressed in Sf9 cells


Bioorg Med Chem 15: 5787-810 (2007)


Article DOI: 10.1016/j.bmc.2007.06.003
BindingDB Entry DOI: 10.7270/Q2X066Q5
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Homo sapiens (Human))
BDBM50217729
PNG
(CHEMBL237920 | N-((1R,4r)-4-(((1r,4R)-4-aminocyclo...)
Show SMILES N[C@H]1CC[C@H](C[C@H]2CC[C@@H](CC2)N(C\C(Cl)=C\c2ccccc2)C(=O)CCCc2c[nH]c3ccccc23)CC1 |wU:6.5,4.4,wD:9.12,1.0,(13.39,-.93,;12.07,-1.7,;10.74,-.95,;9.41,-1.73,;9.43,-3.25,;8.11,-4.03,;8.13,-5.56,;9.48,-6.32,;9.5,-7.87,;8.16,-8.65,;6.81,-7.91,;6.8,-6.35,;8.19,-10.2,;6.84,-11.16,;5.33,-10.47,;5.32,-8.8,;3.98,-11.43,;2.51,-10.66,;2.45,-9.01,;.98,-8.24,;-.43,-9.13,;-.34,-10.79,;1.12,-11.55,;9.54,-10.96,;9.56,-12.51,;10.86,-10.17,;12.19,-10.9,;13.52,-10.13,;14.84,-10.89,;16.25,-10.22,;17.31,-11.34,;16.55,-12.68,;17.04,-14.12,;16.04,-15.27,;14.53,-14.97,;14.04,-13.53,;15.05,-12.38,;10.76,-4.01,;12.08,-3.24,)|
Show InChI InChI=1S/C34H44ClN3O/c35-29(22-25-7-2-1-3-8-25)24-38(31-19-15-27(16-20-31)21-26-13-17-30(36)18-14-26)34(39)12-6-9-28-23-37-33-11-5-4-10-32(28)33/h1-5,7-8,10-11,22-23,26-27,30-31,37H,6,9,12-21,24,36H2/b29-22-/t26-,27-,30-,31-
UniProtKB/SwissProt

antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
8.40E+3n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from human recombinant MC5 receptor expressed in Sf9 cells


Bioorg Med Chem 15: 5787-810 (2007)


Article DOI: 10.1016/j.bmc.2007.06.003
BindingDB Entry DOI: 10.7270/Q2X066Q5
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))
BDBM50217729
PNG
(CHEMBL237920 | N-((1R,4r)-4-(((1r,4R)-4-aminocyclo...)
Show SMILES N[C@H]1CC[C@H](C[C@H]2CC[C@@H](CC2)N(C\C(Cl)=C\c2ccccc2)C(=O)CCCc2c[nH]c3ccccc23)CC1 |wU:6.5,4.4,wD:9.12,1.0,(13.39,-.93,;12.07,-1.7,;10.74,-.95,;9.41,-1.73,;9.43,-3.25,;8.11,-4.03,;8.13,-5.56,;9.48,-6.32,;9.5,-7.87,;8.16,-8.65,;6.81,-7.91,;6.8,-6.35,;8.19,-10.2,;6.84,-11.16,;5.33,-10.47,;5.32,-8.8,;3.98,-11.43,;2.51,-10.66,;2.45,-9.01,;.98,-8.24,;-.43,-9.13,;-.34,-10.79,;1.12,-11.55,;9.54,-10.96,;9.56,-12.51,;10.86,-10.17,;12.19,-10.9,;13.52,-10.13,;14.84,-10.89,;16.25,-10.22,;17.31,-11.34,;16.55,-12.68,;17.04,-14.12,;16.04,-15.27,;14.53,-14.97,;14.04,-13.53,;15.05,-12.38,;10.76,-4.01,;12.08,-3.24,)|
Show InChI InChI=1S/C34H44ClN3O/c35-29(22-25-7-2-1-3-8-25)24-38(31-19-15-27(16-20-31)21-26-13-17-30(36)18-14-26)34(39)12-6-9-28-23-37-33-11-5-4-10-32(28)33/h1-5,7-8,10-11,22-23,26-27,30-31,37H,6,9,12-21,24,36H2/b29-22-/t26-,27-,30-,31-
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
4.50E+4n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from human recombinant MC3 receptor expressed in Sf9 cells


Bioorg Med Chem 15: 5787-810 (2007)


Article DOI: 10.1016/j.bmc.2007.06.003
BindingDB Entry DOI: 10.7270/Q2X066Q5
More data for this
Ligand-Target Pair