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Compile Data Set for Download or QSAR

Found 1045 hits with Last Name = 'stevens' and Initial = 'r'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50565828
PNG
(CHEMBL4798971)
Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3cc(F)ccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O |r|
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
0.0150n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [125I]-[NIe,DPhe7]-alpha-MSH from human MC4R expressed in HEK293 cell membranes incubated for 120 mins


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01620
BindingDB Entry DOI: 10.7270/Q2C53QMN
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50565828
PNG
(CHEMBL4798971)
Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3cc(F)ccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O |r|
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
0.0151n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [125I]-[NIe,DPhe7]-alpha-MSH from human MC4R expressed in HEK293 cell membranes incubated for 120 mins


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01620
BindingDB Entry DOI: 10.7270/Q2C53QMN
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50565819
PNG
(CHEMBL4794168)
Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1Cc2cn(CCCC[C@H](NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc3ccc4ccccc4c3)NC(=O)[C@H](Cc3cnc[nH]3)NC1=O)C(N)=O)nn2 |r|
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
0.0158n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [125I]-[NIe,DPhe7]-alpha-MSH from human MC4R expressed in HEK293 cell membranes incubated for 120 mins


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01620
BindingDB Entry DOI: 10.7270/Q2C53QMN
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50565819
PNG
(CHEMBL4794168)
Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1Cc2cn(CCCC[C@H](NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc3ccc4ccccc4c3)NC(=O)[C@H](Cc3cnc[nH]3)NC1=O)C(N)=O)nn2 |r|
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
0.0160n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [125I]-[NIe,DPhe7]-alpha-MSH from human MC4R expressed in HEK293 cell membranes incubated for 120 mins


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01620
BindingDB Entry DOI: 10.7270/Q2C53QMN
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50565826
PNG
(CHEMBL4794121)
Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3c(Cl)cccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O |r|
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
0.0166n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [125I]-[NIe,DPhe7]-alpha-MSH from human MC4R expressed in HEK293 cell membranes incubated for 120 mins


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01620
BindingDB Entry DOI: 10.7270/Q2C53QMN
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50565826
PNG
(CHEMBL4794121)
Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3c(Cl)cccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O |r|
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
0.0170n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [125I]-[NIe,DPhe7]-alpha-MSH from human MC4R expressed in HEK293 cell membranes incubated for 120 mins


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01620
BindingDB Entry DOI: 10.7270/Q2C53QMN
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50565825
PNG
(CHEMBL4777048)
Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3cc(Cl)ccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O |r|
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
0.0195n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [125I]-[NIe,DPhe7]-alpha-MSH from human MC4R expressed in HEK293 cell membranes incubated for 120 mins


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01620
BindingDB Entry DOI: 10.7270/Q2C53QMN
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50565825
PNG
(CHEMBL4777048)
Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3cc(Cl)ccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O |r|
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
0.0200n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [125I]-[NIe,DPhe7]-alpha-MSH from human MC4R expressed in HEK293 cell membranes incubated for 120 mins


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01620
BindingDB Entry DOI: 10.7270/Q2C53QMN
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50565830
PNG
(CHEMBL4793821)
Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1Cc2cnnn2CCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O |r|
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
0.0209n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [125I]-[NIe,DPhe7]-alpha-MSH from human MC4R expressed in HEK293 cell membranes incubated for 120 mins


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01620
BindingDB Entry DOI: 10.7270/Q2C53QMN
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50565829
PNG
(CHEMBL4788071)
Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3c(F)cccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O |r|
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
0.0210n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [125I]-[NIe,DPhe7]-alpha-MSH from human MC4R expressed in HEK293 cell membranes incubated for 120 mins


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01620
BindingDB Entry DOI: 10.7270/Q2C53QMN
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50565830
PNG
(CHEMBL4793821)
Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1Cc2cnnn2CCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O |r|
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
0.0210n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [125I]-[NIe,DPhe7]-alpha-MSH from human MC4R expressed in HEK293 cell membranes incubated for 120 mins


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01620
BindingDB Entry DOI: 10.7270/Q2C53QMN
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50565829
PNG
(CHEMBL4788071)
Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3c(F)cccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O |r|
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
0.0214n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [125I]-[NIe,DPhe7]-alpha-MSH from human MC4R expressed in HEK293 cell membranes incubated for 120 mins


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01620
BindingDB Entry DOI: 10.7270/Q2C53QMN
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))
BDBM50565825
PNG
(CHEMBL4777048)
Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3cc(Cl)ccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O |r|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
0.0219n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [125I]-[NIe,DPhe7]-alpha-MSH from human MC3R expressed in HEK293 cell membranes incubated for 120 mins


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01620
BindingDB Entry DOI: 10.7270/Q2C53QMN
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))
BDBM50565825
PNG
(CHEMBL4777048)
Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3cc(Cl)ccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O |r|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
0.0220n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [125I]-[NIe,DPhe7]-alpha-MSH from human MC3R expressed in HEK293 cell membranes incubated for 120 mins


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01620
BindingDB Entry DOI: 10.7270/Q2C53QMN
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50565827
PNG
(CHEMBL4794990)
Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccc(F)cc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O |r|
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
0.0257n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [125I]-[NIe,DPhe7]-alpha-MSH from human MC4R expressed in HEK293 cell membranes incubated for 120 mins


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01620
BindingDB Entry DOI: 10.7270/Q2C53QMN
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50565827
PNG
(CHEMBL4794990)
Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccc(F)cc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O |r|
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
0.0260n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [125I]-[NIe,DPhe7]-alpha-MSH from human MC4R expressed in HEK293 cell membranes incubated for 120 mins


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01620
BindingDB Entry DOI: 10.7270/Q2C53QMN
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50565831
PNG
(CHEMBL4791788)
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](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc(cc2)-c2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O |r|
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
0.0275n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [125I]-[NIe,DPhe7]-alpha-MSH from human MC4R expressed in HEK293 cell membranes incubated for 120 mins


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01620
BindingDB Entry DOI: 10.7270/Q2C53QMN
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50565831
PNG
(CHEMBL4791788)
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](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc(cc2)-c2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O |r|
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
0.0280n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [125I]-[NIe,DPhe7]-alpha-MSH from human MC4R expressed in HEK293 cell membranes incubated for 120 mins


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01620
BindingDB Entry DOI: 10.7270/Q2C53QMN
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50080576
PNG
(CHEMBL3422426)
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](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O)C(N)=O |r|
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.0282n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [125I]-[NIe,DPhe7]-alpha-MSH from human MC4R expressed in HEK293 cell membranes incubated for 120 mins


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01620
BindingDB Entry DOI: 10.7270/Q2C53QMN
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50080576
PNG
(CHEMBL3422426)
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](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O)C(N)=O |r|
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.0290n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [125I]-[NIe,DPhe7]-alpha-MSH from human MC4R expressed in HEK293 cell membranes incubated for 120 mins


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01620
BindingDB Entry DOI: 10.7270/Q2C53QMN
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))
BDBM50565826
PNG
(CHEMBL4794121)
Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3c(Cl)cccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O |r|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
0.0309n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [125I]-[NIe,DPhe7]-alpha-MSH from human MC3R expressed in HEK293 cell membranes incubated for 120 mins


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01620
BindingDB Entry DOI: 10.7270/Q2C53QMN
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))
BDBM50565826
PNG
(CHEMBL4794121)
Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3c(Cl)cccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O |r|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
0.0310n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [125I]-[NIe,DPhe7]-alpha-MSH from human MC3R expressed in HEK293 cell membranes incubated for 120 mins


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01620
BindingDB Entry DOI: 10.7270/Q2C53QMN
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))
BDBM50565828
PNG
(CHEMBL4798971)
Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3cc(F)ccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O |r|
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0.0320n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [125I]-[NIe,DPhe7]-alpha-MSH from human MC3R expressed in HEK293 cell membranes incubated for 120 mins


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01620
BindingDB Entry DOI: 10.7270/Q2C53QMN
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))
BDBM50565828
PNG
(CHEMBL4798971)
Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3cc(F)ccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O |r|
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0.0324n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [125I]-[NIe,DPhe7]-alpha-MSH from human MC3R expressed in HEK293 cell membranes incubated for 120 mins


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01620
BindingDB Entry DOI: 10.7270/Q2C53QMN
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50565824
PNG
(CHEMBL4800268)
Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccc(Cl)cc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O |r|
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KEGG

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0.0347n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [125I]-[NIe,DPhe7]-alpha-MSH from human MC4R expressed in HEK293 cell membranes incubated for 120 mins


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01620
BindingDB Entry DOI: 10.7270/Q2C53QMN
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50565824
PNG
(CHEMBL4800268)
Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccc(Cl)cc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O |r|
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KEGG

UniProtKB/SwissProt

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0.0350n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [125I]-[NIe,DPhe7]-alpha-MSH from human MC4R expressed in HEK293 cell membranes incubated for 120 mins


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01620
BindingDB Entry DOI: 10.7270/Q2C53QMN
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50565818
PNG
(CHEMBL4776915)
Show SMILES CC(=O)N[C@H](CCCN)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O |r|
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KEGG

UniProtKB/SwissProt

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0.0417n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [125I]-[NIe,DPhe7]-alpha-MSH from human MC4R expressed in HEK293 cell membranes incubated for 120 mins


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01620
BindingDB Entry DOI: 10.7270/Q2C53QMN
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50565818
PNG
(CHEMBL4776915)
Show SMILES CC(=O)N[C@H](CCCN)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O |r|
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KEGG

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0.0420n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [125I]-[NIe,DPhe7]-alpha-MSH from human MC4R expressed in HEK293 cell membranes incubated for 120 mins


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01620
BindingDB Entry DOI: 10.7270/Q2C53QMN
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))
BDBM50080576
PNG
(CHEMBL3422426)
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](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O)C(N)=O |r|
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0.129n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [125I]-[NIe,DPhe7]-alpha-MSH from human MC3R expressed in HEK293 cell membranes incubated for 120 mins


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01620
BindingDB Entry DOI: 10.7270/Q2C53QMN
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))
BDBM50080576
PNG
(CHEMBL3422426)
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](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O)C(N)=O |r|
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0.129n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [125I]-[NIe,DPhe7]-alpha-MSH from human MC3R expressed in HEK293 cell membranes incubated for 120 mins


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01620
BindingDB Entry DOI: 10.7270/Q2C53QMN
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))
BDBM50565819
PNG
(CHEMBL4794168)
Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1Cc2cn(CCCC[C@H](NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc3ccc4ccccc4c3)NC(=O)[C@H](Cc3cnc[nH]3)NC1=O)C(N)=O)nn2 |r|
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0.135n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [125I]-[NIe,DPhe7]-alpha-MSH from human MC3R expressed in HEK293 cell membranes incubated for 120 mins


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01620
BindingDB Entry DOI: 10.7270/Q2C53QMN
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))
BDBM50565819
PNG
(CHEMBL4794168)
Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1Cc2cn(CCCC[C@H](NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc3ccc4ccccc4c3)NC(=O)[C@H](Cc3cnc[nH]3)NC1=O)C(N)=O)nn2 |r|
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0.135n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [125I]-[NIe,DPhe7]-alpha-MSH from human MC3R expressed in HEK293 cell membranes incubated for 120 mins


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01620
BindingDB Entry DOI: 10.7270/Q2C53QMN
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50079527
PNG
((3E)-3-dibenzo[b,e]oxepin-11(6H)-ylidene-N,N-dimet...)
Show SMILES CN(C)CC\C=C1\c2ccccc2COc2ccccc12
Show InChI InChI=1S/C19H21NO/c1-20(2)13-7-11-17-16-9-4-3-8-15(16)14-21-19-12-6-5-10-18(17)19/h3-6,8-12H,7,13-14H2,1-2H3/b17-11-
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0.178n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]mepyramine from human histamine H1 receptor expressed in HEK293 cells after 1 to 1.5 hrs by scintillation counting


J Med Chem 54: 8195-206 (2011)


Article DOI: 10.1021/jm2011589
BindingDB Entry DOI: 10.7270/Q2QF8T85
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50161512
PNG
(7-Phenyl-1-(5-(pyridin-2-yl)-1,3,4-oxadiazol-2-yl)...)
Show SMILES O=C(CCCCCCc1ccccc1)c1nnc(o1)-c1ccccn1
Show InChI InChI=1S/C20H21N3O2/c24-18(14-7-2-1-4-10-16-11-5-3-6-12-16)20-23-22-19(25-20)17-13-8-9-15-21-17/h3,5-6,8-9,11-13,15H,1-2,4,7,10,14H2
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0.290n/an/an/an/an/an/a9.0n/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of FAAH (unknown origin) at pH 9


Bioorg Med Chem Lett 18: 5847-50 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.086
BindingDB Entry DOI: 10.7270/Q2GF0TBV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50128931
PNG
(CHEMBL61880 | N-(9-Isobutyl-9H-carbazol-3-yl)-3-py...)
Show SMILES CC(C)Cn1c2ccccc2c2cc(NC(=O)CCN3CCCC3)ccc12
Show InChI InChI=1S/C23H29N3O/c1-17(2)16-26-21-8-4-3-7-19(21)20-15-18(9-10-22(20)26)24-23(27)11-14-25-12-5-6-13-25/h3-4,7-10,15,17H,5-6,11-14,16H2,1-2H3,(H,24,27)
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0.300n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity towards human neuropeptide Y receptor type 5 using 125[I]-PYY as radioligand


Bioorg Med Chem Lett 13: 1989-92 (2003)


BindingDB Entry DOI: 10.7270/Q2057F9D
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))
BDBM50565829
PNG
(CHEMBL4788071)
Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3c(F)cccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O |r|
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0.330n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [125I]-[NIe,DPhe7]-alpha-MSH from human MC3R expressed in HEK293 cell membranes incubated for 120 mins


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01620
BindingDB Entry DOI: 10.7270/Q2C53QMN
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))
BDBM50565829
PNG
(CHEMBL4788071)
Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3c(F)cccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O |r|
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0.331n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [125I]-[NIe,DPhe7]-alpha-MSH from human MC3R expressed in HEK293 cell membranes incubated for 120 mins


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01620
BindingDB Entry DOI: 10.7270/Q2C53QMN
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))
BDBM50565827
PNG
(CHEMBL4794990)
Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccc(F)cc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O |r|
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0.352n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [125I]-[NIe,DPhe7]-alpha-MSH from human MC3R expressed in HEK293 cell membranes incubated for 120 mins


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01620
BindingDB Entry DOI: 10.7270/Q2C53QMN
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))
BDBM50565827
PNG
(CHEMBL4794990)
Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccc(F)cc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O |r|
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0.355n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [125I]-[NIe,DPhe7]-alpha-MSH from human MC3R expressed in HEK293 cell membranes incubated for 120 mins


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01620
BindingDB Entry DOI: 10.7270/Q2C53QMN
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))
BDBM50565831
PNG
(CHEMBL4791788)
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](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc(cc2)-c2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O |r|
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0.378n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [125I]-[NIe,DPhe7]-alpha-MSH from human MC3R expressed in HEK293 cell membranes incubated for 120 mins


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01620
BindingDB Entry DOI: 10.7270/Q2C53QMN
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))
BDBM50565831
PNG
(CHEMBL4791788)
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](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc(cc2)-c2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O |r|
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0.380n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [125I]-[NIe,DPhe7]-alpha-MSH from human MC3R expressed in HEK293 cell membranes incubated for 120 mins


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01620
BindingDB Entry DOI: 10.7270/Q2C53QMN
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))
BDBM50565830
PNG
(CHEMBL4793821)
Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1Cc2cnnn2CCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O |r|
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0.389n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [125I]-[NIe,DPhe7]-alpha-MSH from human MC3R expressed in HEK293 cell membranes incubated for 120 mins


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01620
BindingDB Entry DOI: 10.7270/Q2C53QMN
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))
BDBM50565830
PNG
(CHEMBL4793821)
Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1Cc2cnnn2CCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O |r|
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0.391n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [125I]-[NIe,DPhe7]-alpha-MSH from human MC3R expressed in HEK293 cell membranes incubated for 120 mins


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01620
BindingDB Entry DOI: 10.7270/Q2C53QMN
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50027084
PNG
(Melatonan)
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](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O |r|
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KEGG

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0.456n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [125I]-[NIe,DPhe7]-alpha-MSH from human MC4R expressed in HEK293 cell membranes incubated for 120 mins


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01620
BindingDB Entry DOI: 10.7270/Q2C53QMN
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50565834
PNG
(CHEMBL4791306)
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](CCCNC(N)=N)NC(=O)[C@@H](Cc2cccc(c2)-c2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O |r|
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KEGG

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0.457n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [125I]-[NIe,DPhe7]-alpha-MSH from human MC4R expressed in HEK293 cell membranes incubated for 120 mins


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01620
BindingDB Entry DOI: 10.7270/Q2C53QMN
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50027084
PNG
(Melatonan)
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](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O |r|
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
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0.457n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [125I]-[NIe,DPhe7]-alpha-MSH from human MC4R expressed in HEK293 cell membranes incubated for 120 mins


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01620
BindingDB Entry DOI: 10.7270/Q2C53QMN
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50565834
PNG
(CHEMBL4791306)
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](CCCNC(N)=N)NC(=O)[C@@H](Cc2cccc(c2)-c2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O |r|
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KEGG

UniProtKB/SwissProt

antibodypedia
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0.459n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [125I]-[NIe,DPhe7]-alpha-MSH from human MC4R expressed in HEK293 cell membranes incubated for 120 mins


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01620
BindingDB Entry DOI: 10.7270/Q2C53QMN
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50342116
PNG
((S)-(1,3,4-oxadiazol-2-yl)(6-phenoxy-1,2,3,4-tetra...)
Show SMILES O=C([C@H]1CCc2cc(Oc3ccccc3)ccc2C1)c1nnco1 |r|
Show InChI InChI=1S/C19H16N2O3/c22-18(19-21-20-12-23-19)15-7-6-14-11-17(9-8-13(14)10-15)24-16-4-2-1-3-5-16/h1-5,8-9,11-12,15H,6-7,10H2/t15-/m0/s1
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0.5n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of full-length human FAAH expressed in COS-7 cells assessed as [14C]-labeled oleamide to oleic acid conversion


J Med Chem 54: 2805-22 (2011)


Article DOI: 10.1021/jm101597x
BindingDB Entry DOI: 10.7270/Q2ZK5H08
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50364063
PNG
(CHEMBL1950649)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#CC[C@H]1CC[C@@H](CC1)C(=O)OC |r,wU:7.12,5.4,28.34,wD:8.8,10.11,25.27,(-2.37,-48.53,;-1.04,-49.31,;.3,-48.55,;1.62,-49.33,;1.61,-50.87,;2.93,-48.59,;2.94,-47.1,;4.43,-46.64,;5.27,-47.83,;6.72,-47.84,;4.37,-49.06,;4.85,-50.53,;4.89,-45.21,;3.96,-43.88,;4.91,-42.6,;6.23,-43.05,;7.53,-42.29,;7.52,-40.78,;8.97,-43.12,;8.97,-44.75,;7.59,-45.54,;6.24,-44.75,;10.31,-45.52,;11.64,-46.29,;12.97,-47.06,;14.3,-46.29,;15.63,-47.07,;16.96,-46.31,;16.97,-44.77,;15.64,-43.99,;14.3,-44.76,;18.31,-44,;18.32,-42.46,;19.64,-44.78,;20.98,-44.02,)|
Show InChI InChI=1S/C23H30N6O6/c1-3-25-21(32)18-16(30)17(31)22(35-18)29-11-26-15-19(24)27-14(28-20(15)29)6-4-5-12-7-9-13(10-8-12)23(33)34-2/h11-13,16-18,22,30-31H,3,5,7-10H2,1-2H3,(H,25,32)(H2,24,27,28)/t12-,13-,16-,17+,18-,22+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

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0.5n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity to A2A adenosine receptor


J Med Chem 55: 538-52 (2012)


Article DOI: 10.1021/jm201461q
BindingDB Entry DOI: 10.7270/Q22Z160R
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50565836
PNG
(CHEMBL4795842)
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](CCCNC(N)=N)NC(=O)[C@@H](Cc2cccc(c2)-c2cccc3ccccc23)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O |r|
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
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UniChem
Article
PubMed
0.550n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [125I]-[NIe,DPhe7]-alpha-MSH from human MC4R expressed in HEK293 cell membranes incubated for 120 mins


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01620
BindingDB Entry DOI: 10.7270/Q2C53QMN
More data for this
Ligand-Target Pair
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