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Compile Data Set for Download or QSAR

Found 1082 hits with Last Name = 'amour' and Initial = 'a'   
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
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50573166
PNG
(CHEMBL4869783)
Show SMILES COc1ncc(cc1S(=O)(=O)Nc1cncc(c1)-c1ccc(CN2C[C@H](C)O[C@H](C)C2)cc1)C1=CCOCC1 |r,t:37|
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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UniChem
Article
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0.0100n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human N-terminal His6-tagged full length P110delta/full length untagged human p85alpha expressed in baculovirus infected Sf...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01102
BindingDB Entry DOI: 10.7270/Q2N87FKX
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50573157
PNG
(CHEMBL4850297)
Show SMILES COc1ncc(cc1S(=O)(=O)Nc1cncc(c1)-c1ccc(CN2CCN(CC2)C(C)C)cc1)C1=CCOCC1 |t:38|
PDB
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0.0100n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human N-terminal His6-tagged full length P110delta/full length untagged human p85alpha expressed in baculovirus infected Sf...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01102
BindingDB Entry DOI: 10.7270/Q2N87FKX
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50573177
PNG
(CHEMBL4167702)
Show SMILES COc1ncc(cc1S(=O)(=O)Nc1ccnc(c1)-c1ccc(CN2CCN(CC2)C(C)C)cc1F)N1CCOCC1
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PDB
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PDB
Article
PubMed
0.0126n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human N-terminal His6-tagged full length P110delta/full length untagged human p85alpha expressed in baculovirus infected Sf...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01102
BindingDB Entry DOI: 10.7270/Q2N87FKX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Neutrophil elastase


(Homo sapiens (Human))
BDBM50118030
PNG
(4-(5-Cyclopropylaminomethyl-pyrazine-2-carbonyl)-3...)
Show SMILES CC(C)[C@H]1[C@H]2[C@@H](CCN2C(=O)c2cnc(CNC3CC3)cn2)N(C1=O)S(C)(=O)=O
Show InChI InChI=1S/C19H27N5O4S/c1-11(2)16-17-15(24(19(16)26)29(3,27)28)6-7-23(17)18(25)14-10-21-13(9-22-14)8-20-12-4-5-12/h9-12,15-17,20H,4-8H2,1-3H3/t15-,16+,17-/m1/s1
PDB
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0.0140n/an/an/an/an/an/an/an/a



GSK

Curated by ChEMBL


Assay Description
The compound was evaluated for its binding affinity towards human neutrophil elastase (HNE)


J Med Chem 45: 3878-90 (2002)


BindingDB Entry DOI: 10.7270/Q2HM596S
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
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PC cid
PC sid
UniChem
Article
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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
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50573167
PNG
(CHEMBL4858875)
Show SMILES COc1ncc(cc1S(=O)(=O)Nc1cncc(c1)-c1ccc(CN2C[C@H](C)N(C)[C@H](C)C2)cc1)C1=CCOCC1 |r,t:38|
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

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


TBA

Assay Description
Inhibition of recombinant human N-terminal His6-tagged full length P110delta/full length untagged human p85alpha expressed in baculovirus infected Sf...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01102
BindingDB Entry DOI: 10.7270/Q2N87FKX
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
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UniChem
Article
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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
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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))
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
0.0210n/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

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antibodypedia
GoogleScholar
AffyNet 
PC cid
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UniChem
Article
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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
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50573164
PNG
(CHEMBL4873390)
Show SMILES COc1ncc(cc1S(=O)(=O)Nc1cncc(c1)-c1ccc(CN2CCN(CC2)C(C)C)nc1)C1=CCOCC1 |t:38|
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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antibodypedia
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PC cid
PC sid
UniChem
Article
PubMed
0.0251n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human N-terminal His6-tagged full length P110delta/full length untagged human p85alpha expressed in baculovirus infected Sf...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01102
BindingDB Entry DOI: 10.7270/Q2N87FKX
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50573182
PNG
(CHEMBL4175571)
Show SMILES COc1ncc(cc1S(=O)(=O)Nc1ccnc(c1)-c1ccc(CN2CCN(CC2)C(C)(C)C)cc1F)N1CCOCC1
PDB
MMDB

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UniProtKB/SwissProt

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UniChem
Article
PubMed
0.0251n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human N-terminal His6-tagged full length P110delta/full length untagged human p85alpha expressed in baculovirus infected Sf...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01102
BindingDB Entry DOI: 10.7270/Q2N87FKX
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50573181
PNG
(CHEMBL4165185)
Show SMILES COc1ncc(cc1S(=O)(=O)Nc1ccnc(c1)-c1ccc(CN2CCN(CC2)C(C)(C)C)cc1)N1CCOCC1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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antibodypedia
antibodypedia
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PC cid
PC sid
UniChem
Article
PubMed
0.0251n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human N-terminal His6-tagged full length P110delta/full length untagged human p85alpha expressed in baculovirus infected Sf...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01102
BindingDB Entry DOI: 10.7270/Q2N87FKX
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
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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
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PC sid
UniChem
Article
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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|
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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|
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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

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antibodypedia
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PC sid
UniChem
Article
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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
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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
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50573180
PNG
(CHEMBL4175737)
Show SMILES COc1ncc(cc1S(=O)(=O)Nc1ccnc(c1)-c1ccc(CN2C[C@H](C)O[C@H](C)C2)cc1F)N1CCOCC1 |r|
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0.0316n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human N-terminal His6-tagged full length P110delta/full length untagged human p85alpha expressed in baculovirus infected Sf...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01102
BindingDB Entry DOI: 10.7270/Q2N87FKX
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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antibodypedia
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UniChem
Article
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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|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
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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|
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
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|
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
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
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50573175
PNG
(CHEMBL4169192)
Show SMILES COc1ncc(cc1S(=O)(=O)Nc1ccnc(c1)-c1ccc(CN2CCN(CC2)C(C)C)cc1)N1CCOCC1
PDB
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UniProtKB/SwissProt

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0.0398n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human N-terminal His6-tagged full length P110delta/full length untagged human p85alpha expressed in baculovirus infected Sf...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01102
BindingDB Entry DOI: 10.7270/Q2N87FKX
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|
PDB

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UniProtKB/SwissProt

antibodypedia
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UniChem
Article
PubMed
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|
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
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
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50573179
PNG
(CHEMBL4174874)
Show SMILES COc1ncc(cc1S(=O)(=O)Nc1ccnc(c1)-c1ccc(CN2CCC(CC2)C(C)(C)O)cc1F)N1CCOCC1
PDB
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UniProtKB/SwissProt

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antibodypedia
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0.0501n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human N-terminal His6-tagged full length P110delta/full length untagged human p85alpha expressed in baculovirus infected Sf...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01102
BindingDB Entry DOI: 10.7270/Q2N87FKX
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50573176
PNG
(CHEMBL4173087)
Show SMILES COc1ncc(cc1S(=O)(=O)Nc1ccnc(c1)-c1ccc(CN2CCN(CC2)C(C)C)c(F)c1)N1CCOCC1
PDB
MMDB

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UniProtKB/SwissProt

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antibodypedia
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0.0501n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human N-terminal His6-tagged full length P110delta/full length untagged human p85alpha expressed in baculovirus infected Sf...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01102
BindingDB Entry DOI: 10.7270/Q2N87FKX
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50573178
PNG
(CHEMBL4170075)
Show SMILES COc1ncc(cc1S(=O)(=O)Nc1ccnc(c1)-c1ccc(CN2CCN(CC2)C(C)C)c(F)c1F)N1CCOCC1
PDB
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0.0631n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human N-terminal His6-tagged full length P110delta/full length untagged human p85alpha expressed in baculovirus infected Sf...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01102
BindingDB Entry DOI: 10.7270/Q2N87FKX
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50573170
PNG
(CHEMBL4855234)
Show SMILES COc1ncc(cc1S(=O)(=O)Nc1cncc(c1)-c1ccc(CN2CCN(CC2)C(C)C)cc1)N1CCOCC1
PDB
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0.0794n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human N-terminal His6-tagged full length P110delta/full length untagged human p85alpha expressed in baculovirus infected Sf...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01102
BindingDB Entry DOI: 10.7270/Q2N87FKX
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50573159
PNG
(CHEMBL4867203)
Show SMILES COc1ncc(cc1S(=O)(=O)Nc1cncc(c1)-c1ccc(CN2CCNCC2)cc1)C1=CCOCC1 |t:35|
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0.126n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human N-terminal His6-tagged full length P110delta/full length untagged human p85alpha expressed in baculovirus infected Sf...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01102
BindingDB Entry DOI: 10.7270/Q2N87FKX
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|
PDB

UniProtKB/SwissProt

antibodypedia
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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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antibodypedia
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UniChem
Article
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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
Neutrophil elastase


(Homo sapiens (Human))
BDBM50118028
PNG
(3-Isopropyl-1-methanesulfonyl-4-(2-pyrrolidin-1-yl...)
Show SMILES CC(C)[C@H]1[C@H]2[C@@H](CCN2C(=O)c2coc(CN3CCCC3)n2)N(C1=O)S(C)(=O)=O
Show InChI InChI=1S/C19H28N4O5S/c1-12(2)16-17-14(23(19(16)25)29(3,26)27)6-9-22(17)18(24)13-11-28-15(20-13)10-21-7-4-5-8-21/h11-12,14,16-17H,4-10H2,1-3H3/t14-,16+,17-/m1/s1
PDB
MMDB

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UniChem
PubMed
0.160n/an/an/an/a 4.90 3.05E+4n/an/a



GSK

Curated by ChEMBL


Assay Description
The compound was evaluated for its inhibitory activity against human neutrophil elastase (HNE) using whole blood assay


J Med Chem 45: 3878-90 (2002)


BindingDB Entry DOI: 10.7270/Q2HM596S
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))
BDBM50118028
PNG
(3-Isopropyl-1-methanesulfonyl-4-(2-pyrrolidin-1-yl...)
Show SMILES CC(C)[C@H]1[C@H]2[C@@H](CCN2C(=O)c2coc(CN3CCCC3)n2)N(C1=O)S(C)(=O)=O
Show InChI InChI=1S/C19H28N4O5S/c1-12(2)16-17-14(23(19(16)25)29(3,26)27)6-9-22(17)18(24)13-11-28-15(20-13)10-21-7-4-5-8-21/h11-12,14,16-17H,4-10H2,1-3H3/t14-,16+,17-/m1/s1
PDB
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UniChem
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0.160n/an/an/an/an/an/an/an/a



GSK

Curated by ChEMBL


Assay Description
The compound was evaluated for its binding affinity towards human neutrophil elastase (HNE)


J Med Chem 45: 3878-90 (2002)


BindingDB Entry DOI: 10.7270/Q2HM596S
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))
BDBM50118029
PNG
(3-Isopropyl-1-methanesulfonyl-4-(4-piperidin-1-yl-...)
Show SMILES Cl.[H][C@@]12CCN(C(=O)\C=C\CN3CCCCC3)[C@@]1([H])[C@H](C(C)C)C(=O)N2S(C)(=O)=O |r|
Show InChI InChI=1S/C19H31N3O4S/c1-14(2)17-18-15(22(19(17)24)27(3,25)26)9-13-21(18)16(23)8-7-12-20-10-5-4-6-11-20/h7-8,14-15,17-18H,4-6,9-13H2,1-3H3/b8-7+/t15-,17+,18-/m1/s1
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UniChem

Similars

PubMed
0.310n/an/an/an/a 0.00000207 6.63E+3n/an/a



GSK

Curated by ChEMBL


Assay Description
The compound was evaluated for its inhibitory activity against human neutrophil elastase (HNE) using whole blood assay


J Med Chem 45: 3878-90 (2002)


BindingDB Entry DOI: 10.7270/Q2HM596S
More data for this
Ligand-Target Pair
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