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Compile Data Set for Download or QSAR

Found 46 hits with Last Name = 'adpressa' and Initial = 'd'   
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
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50584324
PNG
(CHEMBL5088471)
Show SMILES Clc1c(Nc2ncc3ccc(cc3n2)C2(CC22CC2)C#N)cnn1C1CCOCC1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a<0.0800n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant N-terminal GST-fused LRRK2 G2109S mutant (970 to 2527 residues) (unknown origin) preincubated with enzyme for 15 mins follo...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01968
BindingDB Entry DOI: 10.7270/Q2RX9GZH
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50584317
PNG
(CHEMBL5082260)
Show SMILES FC(F)Cn1ncc(Nc2ncc3cc(Cl)c(cc3n2)C2CCN(CC2F)C2COC2)c1Cl
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
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PC sid
UniChem
Article
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n/an/a<0.600n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant N-terminal GST-fused LRRK2 G2109S mutant (970 to 2527 residues) (unknown origin) preincubated with enzyme for 15 mins follo...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01968
BindingDB Entry DOI: 10.7270/Q2RX9GZH
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50584331
PNG
(CHEMBL5079796)
Show SMILES FC1COCC1N1CCC(C(F)C1)c1cc2nc(Nc3cnn(C4CC4(F)F)c3Cl)ncc2cc1Cl
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
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PC sid
UniChem
Article
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n/an/a<0.600n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant N-terminal GST-fused LRRK2 G2109S mutant (970 to 2527 residues) (unknown origin) preincubated with enzyme for 15 mins follo...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01968
BindingDB Entry DOI: 10.7270/Q2RX9GZH
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50584330
PNG
(CHEMBL5070497)
Show SMILES FC1CN(CCC1c1cc2nc(Nc3cnn(C4CC4(F)F)c3Cl)ncc2cc1Cl)C1CCOC1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
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PC sid
UniChem
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n/an/a<0.600n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant N-terminal GST-fused LRRK2 G2109S mutant (970 to 2527 residues) (unknown origin) preincubated with enzyme for 15 mins follo...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01968
BindingDB Entry DOI: 10.7270/Q2RX9GZH
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50584328
PNG
(CHEMBL5078277 | US20230303540, Example Ex-1.48)
Show SMILES C[C@H]1COC(=O)N1c1ccc2cnc(Nc3cnn(C4CCOCC4)c3C)nc2c1 |r|
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
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n/an/a<0.600n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant N-terminal GST-fused LRRK2 G2109S mutant (970 to 2527 residues) (unknown origin) preincubated with enzyme for 15 mins follo...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01968
BindingDB Entry DOI: 10.7270/Q2RX9GZH
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50584325
PNG
(CHEMBL5085777)
Show SMILES Cc1c(Nc2ncc3ccc(cc3n2)C2(CC22CC2)C#N)cnn1C1CCOCC1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
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PC sid
UniChem
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n/an/a<0.600n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant N-terminal GST-fused LRRK2 G2109S mutant (970 to 2527 residues) (unknown origin) preincubated with enzyme for 15 mins follo...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01968
BindingDB Entry DOI: 10.7270/Q2RX9GZH
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50584321
PNG
(CHEMBL5090739)
Show SMILES Clc1c(Nc2ncc3cc(Cl)c(cc3n2)C2CCN(CC2)C2COC2)cnn1C1CC1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
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PC sid
UniChem
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n/an/a<0.600n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant N-terminal GST-fused LRRK2 G2109S mutant (970 to 2527 residues) (unknown origin) preincubated with enzyme for 15 mins follo...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01968
BindingDB Entry DOI: 10.7270/Q2RX9GZH
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50584318
PNG
(CHEMBL5082563)
Show SMILES FC1CN(CCC1c1cc2nc(Nc3cnn(C4CC4)c3Cl)ncc2cc1Cl)C1COC1
PDB

KEGG

UniProtKB/SwissProt

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antibodypedia
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PC sid
UniChem
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n/an/a<0.600n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant N-terminal GST-fused LRRK2 G2109S mutant (970 to 2527 residues) (unknown origin) preincubated with enzyme for 15 mins follo...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01968
BindingDB Entry DOI: 10.7270/Q2RX9GZH
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50584332
PNG
(CHEMBL5076397)
Show SMILES O[C@H]1COC[C@H]1N1CC[C@H]([C@H](F)C1)c1cc2nc(Nc3cnn([C@@H]4CC4(F)F)c3Cl)ncc2cc1Cl |r|
PDB

KEGG

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n/an/a<0.600n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant N-terminal GST-fused LRRK2 G2109S mutant (970 to 2527 residues) (unknown origin) preincubated with enzyme for 15 mins follo...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01968
BindingDB Entry DOI: 10.7270/Q2RX9GZH
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50584316
PNG
(CHEMBL5070231)
Show SMILES FC1CN(CCC1c1cc2nc(Nc3cnn(C4CC4(F)F)c3Cl)ncc2cc1Cl)C1COC1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
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PC sid
UniChem
Article
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n/an/a<0.600n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant N-terminal GST-fused LRRK2 G2109S mutant (970 to 2527 residues) (unknown origin) preincubated with enzyme for 15 mins follo...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01968
BindingDB Entry DOI: 10.7270/Q2RX9GZH
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50584322
PNG
(CHEMBL5089102)
Show SMILES Cc1c(Nc2ncc3cc(Cl)c(cc3n2)C2CCN(CC2)C2COC2)cnn1C1CC1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.650n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant N-terminal GST-fused LRRK2 G2109S mutant (970 to 2527 residues) (unknown origin) preincubated with enzyme for 15 mins follo...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01968
BindingDB Entry DOI: 10.7270/Q2RX9GZH
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50584326
PNG
(CHEMBL5094138)
Show SMILES Cc1c(Nc2ncc3ccc(cc3n2)C2(CC2)C#N)cnn1C1CCOCC1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.700n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant N-terminal GST-fused LRRK2 G2109S mutant (970 to 2527 residues) (unknown origin) preincubated with enzyme for 15 mins follo...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01968
BindingDB Entry DOI: 10.7270/Q2RX9GZH
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50584320
PNG
(CHEMBL5073571)
Show SMILES CC(C)(O)Cn1ncc(Nc2ncc3cc(Cl)c(cc3n2)C2CCN(CC2)C2COC2)c1Cl
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
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PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 0.800n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant N-terminal GST-fused LRRK2 G2109S mutant (970 to 2527 residues) (unknown origin) preincubated with enzyme for 15 mins follo...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01968
BindingDB Entry DOI: 10.7270/Q2RX9GZH
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50584329
PNG
(CHEMBL5089933)
Show SMILES Cc1c(Nc2ncc3cccc(C4CC4)c3n2)cnn1C1CCOCC1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
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PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 1n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant N-terminal GST-fused LRRK2 G2109S mutant (970 to 2527 residues) (unknown origin) preincubated with enzyme for 15 mins follo...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01968
BindingDB Entry DOI: 10.7270/Q2RX9GZH
More data for this
Ligand-Target Pair
Arginase-1


(Homo sapiens (Human))
BDBM50579614
PNG
(CHEMBL4871970)
Show SMILES [H][C@]12CN[C@H](C(O)=O)[C@@]1(CCCB(O)O)CCN2 |r|
PDB
MMDB

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UniChem
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n/an/a 1.60n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of ARG1 (unknown origin) assessed as reduction in thio-ornithine production using thioarginine as substrate by fluorimetric analysis


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00258
BindingDB Entry DOI: 10.7270/Q2QF8XQ7
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50584327
PNG
(CHEMBL5073735)
Show SMILES Cc1c(Nc2ncc3ccc(cc3n2)-c2ccn[nH]2)cnn1C1CCOCC1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.70n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant N-terminal GST-fused LRRK2 G2109S mutant (970 to 2527 residues) (unknown origin) preincubated with enzyme for 15 mins follo...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01968
BindingDB Entry DOI: 10.7270/Q2RX9GZH
More data for this
Ligand-Target Pair
Arginase-1


(Homo sapiens (Human))
BDBM50579610
PNG
(CHEMBL4873520)
Show SMILES [H][C@]12CN[C@](CCN1)([C@H]2CCCB(O)O)C(O)=O |r,THB:9:8:7.6.5:3.2|
PDB
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n/an/a 2.20n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of ARG1 (unknown origin) assessed as reduction in thio-ornithine production using thioarginine as substrate by fluorimetric analysis


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00258
BindingDB Entry DOI: 10.7270/Q2QF8XQ7
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50584319
PNG
(CHEMBL5085536 | US20230303540, Example Ex-1.24)
Show SMILES Clc1c(Nc2ncc3cc(Cl)c(cc3n2)N2CCN(CC2)C2COC2)cnn1C1CC1
PDB

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UniProtKB/SwissProt

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n/an/a 2.60n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant N-terminal GST-fused LRRK2 G2109S mutant (970 to 2527 residues) (unknown origin) preincubated with enzyme for 15 mins follo...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01968
BindingDB Entry DOI: 10.7270/Q2RX9GZH
More data for this
Ligand-Target Pair
Arginase-1


(Homo sapiens (Human))
BDBM50579616
PNG
(CHEMBL4845730)
Show SMILES [H][C@]12CN[C@H](C(=O)OC)[C@@]1(CCCB(O)O)CCCN2 |r|
PDB
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n/an/a 3.20n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of ARG1 (unknown origin) assessed as reduction in thio-ornithine production using thioarginine as substrate by fluorimetric analysis


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00258
BindingDB Entry DOI: 10.7270/Q2QF8XQ7
More data for this
Ligand-Target Pair
Arginase-1


(Homo sapiens (Human))
BDBM50579611
PNG
(CHEMBL4871097)
Show SMILES [H][C@]12C[C@](CCN1)([C@H]2CCCB(O)O)C(O)=O |r,THB:8:7:2:4.5.6|
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n/an/a 3.90n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of ARG1 (unknown origin) assessed as reduction in thio-ornithine production using thioarginine as substrate by fluorimetric analysis


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00258
BindingDB Entry DOI: 10.7270/Q2QF8XQ7
More data for this
Ligand-Target Pair
Arginase-1


(Homo sapiens (Human))
BDBM50579615
PNG
(CHEMBL4865209)
Show SMILES [H][C@]12CN[C@H](C(O)=O)[C@@]1(CCCB(O)O)COC2 |r|
PDB
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n/an/a 5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of ARG1 (unknown origin) assessed as reduction in thio-ornithine production using thioarginine as substrate by fluorimetric analysis


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00258
BindingDB Entry DOI: 10.7270/Q2QF8XQ7
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50584333
PNG
(CHEMBL5093254)
Show SMILES C1CC1c1cccc2cnc(Nc3cnn(c3)C3CCOCC3)nc12
PDB

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n/an/a 15n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant N-terminal GST-fused LRRK2 G2109S mutant (970 to 2527 residues) (unknown origin) preincubated with enzyme for 15 mins follo...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01968
BindingDB Entry DOI: 10.7270/Q2RX9GZH
More data for this
Ligand-Target Pair
Arginase-1


(Homo sapiens (Human))
BDBM50577458
PNG
(CHEMBL4858437)
Show SMILES OB(O)CCC[C@@H]1CCN[C@@H]1C(O)=O |r|
PDB
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n/an/a 16n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of ARG1 (unknown origin) assessed as reduction in thio-ornithine production using thioarginine as substrate by fluorimetric analysis


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00258
BindingDB Entry DOI: 10.7270/Q2QF8XQ7
More data for this
Ligand-Target Pair
Arginase-1


(Homo sapiens (Human))
BDBM50579613
PNG
(CHEMBL4850423)
Show SMILES [H][C@]12CN[C@H](C(O)=O)[C@@]1(CCCB(O)O)CS2 |r|
PDB
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n/an/a 25n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of ARG1 (unknown origin) assessed as reduction in thio-ornithine production using thioarginine as substrate by fluorimetric analysis


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00258
BindingDB Entry DOI: 10.7270/Q2QF8XQ7
More data for this
Ligand-Target Pair
Arginase-1


(Homo sapiens (Human))
BDBM50579609
PNG
(CHEMBL4872874)
Show SMILES OB(O)CCC[C@]12CCN[C@]1(CNC2)C(O)=O |r|
PDB
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n/an/a 46n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of ARG1 (unknown origin) assessed as reduction in thio-ornithine production using thioarginine as substrate by fluorimetric analysis


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00258
BindingDB Entry DOI: 10.7270/Q2QF8XQ7
More data for this
Ligand-Target Pair
Arginase-1


(Homo sapiens (Human))
BDBM50579618
PNG
(CHEMBL4871090)
Show SMILES [H][C@@]12CC[C@]1([H])[C@@](C)(CCCB(O)O)[C@H](N2)C(O)=O |r|
PDB
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n/an/a 67n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of ARG1 (unknown origin) assessed as reduction in thio-ornithine production using thioarginine as substrate by fluorimetric analysis


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00258
BindingDB Entry DOI: 10.7270/Q2QF8XQ7
More data for this
Ligand-Target Pair
Arginase-1


(Homo sapiens (Human))
BDBM50579612
PNG
(CHEMBL4847500)
Show SMILES [H][C@]12CN[C@H](C(O)=O)[C@@]1(CCCB(O)O)CN2 |r|
PDB
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n/an/a 104n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of ARG1 (unknown origin) assessed as reduction in thio-ornithine production using thioarginine as substrate by fluorimetric analysis


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00258
BindingDB Entry DOI: 10.7270/Q2QF8XQ7
More data for this
Ligand-Target Pair
Arginase-1


(Homo sapiens (Human))
BDBM50579608
PNG
(CHEMBL4849969)
Show SMILES OB(O)CCC[C@@]12CC[C@@]1(NCC2)C(O)=O |r|
PDB
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n/an/a 370n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of ARG1 (unknown origin) assessed as reduction in thio-ornithine production using thioarginine as substrate by fluorimetric analysis


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00258
BindingDB Entry DOI: 10.7270/Q2QF8XQ7
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50584335
PNG
(CHEMBL5076674)
Show SMILES F[C@@H]1CNCC[C@H]1c1cc2nc(Nc3cnn([C@@H]4CC4(F)F)c3Cl)ncc2cc1Cl |r|
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n/an/a 570n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human ERG by voltage clamp assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01968
BindingDB Entry DOI: 10.7270/Q2RX9GZH
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 3


(Homo sapiens (Human))
BDBM50584332
PNG
(CHEMBL5076397)
Show SMILES O[C@H]1COC[C@H]1N1CC[C@H]([C@H](F)C1)c1cc2nc(Nc3cnn([C@@H]4CC4(F)F)c3Cl)ncc2cc1Cl |r|
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n/an/a 1.80E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of ERK1 (unknown origin)


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01968
BindingDB Entry DOI: 10.7270/Q2RX9GZH
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50584321
PNG
(CHEMBL5090739)
Show SMILES Clc1c(Nc2ncc3cc(Cl)c(cc3n2)C2CCN(CC2)C2COC2)cnn1C1CC1
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n/an/a 4.60E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human ERG by voltage clamp assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01968
BindingDB Entry DOI: 10.7270/Q2RX9GZH
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50584332
PNG
(CHEMBL5076397)
Show SMILES O[C@H]1COC[C@H]1N1CC[C@H]([C@H](F)C1)c1cc2nc(Nc3cnn([C@@H]4CC4(F)F)c3Cl)ncc2cc1Cl |r|
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n/an/a 5.70E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of tachykinin NK1 receptor (unknown origin)


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01968
BindingDB Entry DOI: 10.7270/Q2RX9GZH
More data for this
Ligand-Target Pair
MAP/microtubule affinity-regulating kinase 3


(Homo sapiens (Human))
BDBM50584334
PNG
(CHEMBL5075047)
Show SMILES Cc1c(Nc2ncc3cc(Cl)c(cc3n2)C2CCN(CC2)[C@@H]2COC[C@@H]2O)cnn1[C@@H]1CC1(F)F |r|
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n/an/a 5.70E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of MARK3 (unknown origin)


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01968
BindingDB Entry DOI: 10.7270/Q2RX9GZH
More data for this
Ligand-Target Pair
Arginase-1


(Homo sapiens (Human))
BDBM50579617
PNG
(CHEMBL4863411)
Show SMILES [H][C@]12C[C@@]1([H])[C@@](C)(CCCB(O)O)[C@H](N2)C(O)=O |r|
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n/an/a 5.74E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of ARG1 (unknown origin) assessed as reduction in thio-ornithine production using thioarginine as substrate by fluorimetric analysis


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00258
BindingDB Entry DOI: 10.7270/Q2QF8XQ7
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50584334
PNG
(CHEMBL5075047)
Show SMILES Cc1c(Nc2ncc3cc(Cl)c(cc3n2)C2CCN(CC2)[C@@H]2COC[C@@H]2O)cnn1[C@@H]1CC1(F)F |r|
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n/an/a 6.20E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human ERG by voltage clamp assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01968
BindingDB Entry DOI: 10.7270/Q2RX9GZH
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50584323
PNG
(CHEMBL5074799)
Show SMILES Cc1c(Nc2ncc3ccc(cc3n2)C2CCN(CC2)C2COC2)cnn1C1CCOCC1
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n/an/a 6.80E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant N-terminal GST-fused LRRK2 G2109S mutant (970 to 2527 residues) (unknown origin) preincubated with enzyme for 15 mins follo...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01968
BindingDB Entry DOI: 10.7270/Q2RX9GZH
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50584331
PNG
(CHEMBL5079796)
Show SMILES FC1COCC1N1CCC(C(F)C1)c1cc2nc(Nc3cnn(C4CC4(F)F)c3Cl)ncc2cc1Cl
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n/an/a 8.60E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human ERG by voltage clamp assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01968
BindingDB Entry DOI: 10.7270/Q2RX9GZH
More data for this
Ligand-Target Pair
Arginase-1


(Homo sapiens (Human))
BDBM50579607
PNG
(CHEMBL4865167)
Show SMILES NC[C@H]1[C@@]2(CCCB(O)O)CCN[C@@]12C(O)=O |r|
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n/an/a 8.78E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of ARG1 (unknown origin) assessed as reduction in thio-ornithine production using thioarginine as substrate by fluorimetric analysis


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00258
BindingDB Entry DOI: 10.7270/Q2QF8XQ7
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50584332
PNG
(CHEMBL5076397)
Show SMILES O[C@H]1COC[C@H]1N1CC[C@H]([C@H](F)C1)c1cc2nc(Nc3cnn([C@@H]4CC4(F)F)c3Cl)ncc2cc1Cl |r|
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n/an/a 9.70E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human ERG by voltage clamp assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01968
BindingDB Entry DOI: 10.7270/Q2RX9GZH
More data for this
Ligand-Target Pair
Arginase-1


(Homo sapiens (Human))
BDBM50579606
PNG
(CHEMBL4851004)
Show SMILES OB(O)CCC[C@@]12C[C@@]1(NCC2)C(O)=O |r|
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n/an/a>1.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of ARG1 (unknown origin) assessed as reduction in thio-ornithine production using thioarginine as substrate by fluorimetric analysis


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00258
BindingDB Entry DOI: 10.7270/Q2QF8XQ7
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50584318
PNG
(CHEMBL5082563)
Show SMILES FC1CN(CCC1c1cc2nc(Nc3cnn(C4CC4)c3Cl)ncc2cc1Cl)C1COC1
PDB
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n/an/a 1.40E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human ERG by voltage clamp assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01968
BindingDB Entry DOI: 10.7270/Q2RX9GZH
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50584322
PNG
(CHEMBL5089102)
Show SMILES Cc1c(Nc2ncc3cc(Cl)c(cc3n2)C2CCN(CC2)C2COC2)cnn1C1CC1
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n/an/a 1.50E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human ERG by voltage clamp assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01968
BindingDB Entry DOI: 10.7270/Q2RX9GZH
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50584316
PNG
(CHEMBL5070231)
Show SMILES FC1CN(CCC1c1cc2nc(Nc3cnn(C4CC4(F)F)c3Cl)ncc2cc1Cl)C1COC1
PDB
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n/an/a 1.83E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human ERG by voltage clamp assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01968
BindingDB Entry DOI: 10.7270/Q2RX9GZH
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50584320
PNG
(CHEMBL5073571)
Show SMILES CC(C)(O)Cn1ncc(Nc2ncc3cc(Cl)c(cc3n2)C2CCN(CC2)C2COC2)c1Cl
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n/an/a 2.30E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human ERG by voltage clamp assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01968
BindingDB Entry DOI: 10.7270/Q2RX9GZH
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50584319
PNG
(CHEMBL5085536 | US20230303540, Example Ex-1.24)
Show SMILES Clc1c(Nc2ncc3cc(Cl)c(cc3n2)N2CCN(CC2)C2COC2)cnn1C1CC1
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n/an/a 2.40E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human ERG by voltage clamp assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01968
BindingDB Entry DOI: 10.7270/Q2RX9GZH
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50584330
PNG
(CHEMBL5070497)
Show SMILES FC1CN(CCC1c1cc2nc(Nc3cnn(C4CC4(F)F)c3Cl)ncc2cc1Cl)C1CCOC1
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n/an/a 3.50E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human ERG by voltage clamp assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01968
BindingDB Entry DOI: 10.7270/Q2RX9GZH
More data for this
Ligand-Target Pair