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Compile Data Set for Download or QSAR

Found 113 hits with Last Name = 'chico' and Initial = 'lw'   
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
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50537592
PNG
(CHEMBL4632881)
Show SMILES C1CN(CCN1c1cc(-c2ccncc2)c(nn1)-c1ccccc1)c1ncccn1
Show InChI InChI=1S/C23H21N7/c1-2-5-19(6-3-1)22-20(18-7-11-24-12-8-18)17-21(27-28-22)29-13-15-30(16-14-29)23-25-9-4-10-26-23/h1-12,17H,13-16H2
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40n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Y181C reverse transcriptase.


J Med Chem 62: 5298-5311 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00058
BindingDB Entry DOI: 10.7270/Q24170ZD
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50537600
PNG
(CHEMBL4129018 | US11149020, Compound 27 (MW-150))
Show SMILES CN1CCN(CC1)c1cc(-c2ccncc2)c(nn1)-c1ccc2ccccc2c1
Show InChI InChI=1S/C24H23N5/c1-28-12-14-29(15-13-28)23-17-22(19-8-10-25-11-9-19)24(27-26-23)21-7-6-18-4-2-3-5-20(18)16-21/h2-11,16-17H,12-15H2,1H3
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100n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Y188L reverse transcriptase.


J Med Chem 62: 5298-5311 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00058
BindingDB Entry DOI: 10.7270/Q24170ZD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50537599
PNG
(CHEMBL4648060 | US11149020, Compound 2 (MW-108))
Show SMILES CN(C)c1cc(-c2ccncc2)c(nn1)-c1ccc2ccccc2c1
Show InChI InChI=1S/C21H18N4/c1-25(2)20-14-19(16-9-11-22-12-10-16)21(24-23-20)18-8-7-15-5-3-4-6-17(15)13-18/h3-14H,1-2H3
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110n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Mutant Reverse transcriptase G190A


J Med Chem 62: 5298-5311 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00058
BindingDB Entry DOI: 10.7270/Q24170ZD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50537598
PNG
(CHEMBL4646628 | US11149020, Compound 1 (MW-181))
Show SMILES CN(C)c1cc(-c2ccncc2)c(nn1)-c1cccc2ccccc12
Show InChI InChI=1S/C21H18N4/c1-25(2)20-14-19(16-10-12-22-13-11-16)21(24-23-20)18-9-5-7-15-6-3-4-8-17(15)18/h3-14H,1-2H3
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180n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Mutant Reverse transcriptase P236L


J Med Chem 62: 5298-5311 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00058
BindingDB Entry DOI: 10.7270/Q24170ZD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 11


(Homo sapiens (Human))
BDBM50537598
PNG
(CHEMBL4646628 | US11149020, Compound 1 (MW-181))
Show SMILES CN(C)c1cc(-c2ccncc2)c(nn1)-c1cccc2ccccc12
Show InChI InChI=1S/C21H18N4/c1-25(2)20-14-19(16-10-12-22-13-11-16)21(24-23-20)18-9-5-7-15-6-3-4-8-17(15)18/h3-14H,1-2H3
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320n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Y188L reverse transcriptase.


J Med Chem 62: 5298-5311 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00058
BindingDB Entry DOI: 10.7270/Q24170ZD
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50537592
PNG
(CHEMBL4632881)
Show SMILES C1CN(CCN1c1cc(-c2ccncc2)c(nn1)-c1ccccc1)c1ncccn1
Show InChI InChI=1S/C23H21N7/c1-2-5-19(6-3-1)22-20(18-7-11-24-12-8-18)17-21(27-28-22)29-13-15-30(16-14-29)23-25-9-4-10-26-23/h1-12,17H,13-16H2
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620n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Mutant Reverse transcriptase K103N


J Med Chem 62: 5298-5311 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00058
BindingDB Entry DOI: 10.7270/Q24170ZD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50537594
PNG
(CHEMBL4639028)
Show SMILES C1CN(CCN1)c1cc(-c2ccncc2)c(nn1)-c1ccccc1
Show InChI InChI=1S/C19H19N5/c1-2-4-16(5-3-1)19-17(15-6-8-20-9-7-15)14-18(22-23-19)24-12-10-21-11-13-24/h1-9,14,21H,10-13H2
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n/an/a 50n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Y181C reverse transcriptase.


J Med Chem 62: 5298-5311 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00058
BindingDB Entry DOI: 10.7270/Q24170ZD
More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50537593
PNG
(CHEMBL4639555 | US11149020, Compound 3 (MW-066))
Show SMILES CN1CCN(CC1)c1cc(-c2ccncc2)c(nn1)-c1ccccc1
Show InChI InChI=1S/C20H21N5/c1-24-11-13-25(14-12-24)19-15-18(16-7-9-21-10-8-16)20(23-22-19)17-5-3-2-4-6-17/h2-10,15H,11-14H2,1H3
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n/an/a 110n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 wild-type reverse transcriptase.


J Med Chem 62: 5298-5311 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00058
BindingDB Entry DOI: 10.7270/Q24170ZD
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50537594
PNG
(CHEMBL4639028)
Show SMILES C1CN(CCN1)c1cc(-c2ccncc2)c(nn1)-c1ccccc1
Show InChI InChI=1S/C19H19N5/c1-2-4-16(5-3-1)19-17(15-6-8-20-9-7-15)14-18(22-23-19)24-12-10-21-11-13-24/h1-9,14,21H,10-13H2
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n/an/a 150n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Mutant Reverse transcriptase G190A


J Med Chem 62: 5298-5311 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00058
BindingDB Entry DOI: 10.7270/Q24170ZD
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50537606
PNG
(CHEMBL4647072 | US11149020, Compound 34 (MW-154))
Show SMILES C1CN(CCN1)c1cc(-c2ccncc2)c(nn1)-c1ccc2ccccc2c1
Show InChI InChI=1S/C23H21N5/c1-2-4-19-15-20(6-5-17(19)3-1)23-21(18-7-9-24-10-8-18)16-22(26-27-23)28-13-11-25-12-14-28/h1-10,15-16,25H,11-14H2
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n/an/a 160n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 wild-type reverse transcriptase.


J Med Chem 62: 5298-5311 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00058
BindingDB Entry DOI: 10.7270/Q24170ZD
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50537598
PNG
(CHEMBL4646628 | US11149020, Compound 1 (MW-181))
Show SMILES CN(C)c1cc(-c2ccncc2)c(nn1)-c1cccc2ccccc12
Show InChI InChI=1S/C21H18N4/c1-25(2)20-14-19(16-10-12-22-13-11-16)21(24-23-20)18-9-5-7-15-6-3-4-8-17(15)18/h3-14H,1-2H3
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n/an/a 190n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 wild-type reverse transcriptase.


J Med Chem 62: 5298-5311 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00058
BindingDB Entry DOI: 10.7270/Q24170ZD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50537608
PNG
(CHEMBL4639995 | US11149020, Compound 32 (MW-148))
Show SMILES C1CCN(C1)c1cc(-c2ccncc2)c(nn1)-c1ccc2ccccc2c1
Show InChI InChI=1S/C23H20N4/c1-2-6-19-15-20(8-7-17(19)5-1)23-21(18-9-11-24-12-10-18)16-22(25-26-23)27-13-3-4-14-27/h1-2,5-12,15-16H,3-4,13-14H2
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n/an/a 200n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Y181C reverse transcriptase.


J Med Chem 62: 5298-5311 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00058
BindingDB Entry DOI: 10.7270/Q24170ZD
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50537599
PNG
(CHEMBL4648060 | US11149020, Compound 2 (MW-108))
Show SMILES CN(C)c1cc(-c2ccncc2)c(nn1)-c1ccc2ccccc2c1
Show InChI InChI=1S/C21H18N4/c1-25(2)20-14-19(16-9-11-22-12-10-16)21(24-23-20)18-8-7-15-5-3-4-6-17(15)13-18/h3-14H,1-2H3
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n/an/a 210n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Y181C reverse transcriptase.


J Med Chem 62: 5298-5311 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00058
BindingDB Entry DOI: 10.7270/Q24170ZD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50537592
PNG
(CHEMBL4632881)
Show SMILES C1CN(CCN1c1cc(-c2ccncc2)c(nn1)-c1ccccc1)c1ncccn1
Show InChI InChI=1S/C23H21N7/c1-2-5-19(6-3-1)22-20(18-7-11-24-12-8-18)17-21(27-28-22)29-13-15-30(16-14-29)23-25-9-4-10-26-23/h1-12,17H,13-16H2
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n/an/a 230n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Y181C reverse transcriptase.


J Med Chem 62: 5298-5311 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00058
BindingDB Entry DOI: 10.7270/Q24170ZD
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50537600
PNG
(CHEMBL4129018 | US11149020, Compound 27 (MW-150))
Show SMILES CN1CCN(CC1)c1cc(-c2ccncc2)c(nn1)-c1ccc2ccccc2c1
Show InChI InChI=1S/C24H23N5/c1-28-12-14-29(15-13-28)23-17-22(19-8-10-25-11-9-19)24(27-26-23)21-7-6-18-4-2-3-5-20(18)16-21/h2-11,16-17H,12-15H2,1H3
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n/an/a 230n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Y181C reverse transcriptase.


J Med Chem 62: 5298-5311 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00058
BindingDB Entry DOI: 10.7270/Q24170ZD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50537596
PNG
(CHEMBL4648747 | US11149020, Compound 5 (MW-207))
Show SMILES CCCN(C)c1cc(-c2ccncc2)c(nn1)-c1ccccc1
Show InChI InChI=1S/C19H20N4/c1-3-13-23(2)18-14-17(15-9-11-20-12-10-15)19(22-21-18)16-7-5-4-6-8-16/h4-12,14H,3,13H2,1-2H3
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n/an/a 250n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Y188L reverse transcriptase.


J Med Chem 62: 5298-5311 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00058
BindingDB Entry DOI: 10.7270/Q24170ZD
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50537607
PNG
(CHEMBL4635988 | US11149020, Compound 61 (MW-086))
Show SMILES C1CCN(CC1)c1cc(-c2ccncc2)c(nn1)-c1ccc2ccccc2c1
Show InChI InChI=1S/C24H22N4/c1-4-14-28(15-5-1)23-17-22(19-10-12-25-13-11-19)24(27-26-23)21-9-8-18-6-2-3-7-20(18)16-21/h2-3,6-13,16-17H,1,4-5,14-15H2
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n/an/a 250n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Mutant Reverse transcriptase K103N


J Med Chem 62: 5298-5311 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00058
BindingDB Entry DOI: 10.7270/Q24170ZD
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50537609
PNG
(CHEMBL4643246 | US11149020, Compound 31 (MW-146))
Show SMILES C1CN(C1)c1cc(-c2ccncc2)c(nn1)-c1ccc2ccccc2c1
Show InChI InChI=1S/C22H18N4/c1-2-5-18-14-19(7-6-16(18)4-1)22-20(17-8-10-23-11-9-17)15-21(24-25-22)26-12-3-13-26/h1-2,4-11,14-15H,3,12-13H2
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n/an/a 290n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Y181C reverse transcriptase.


J Med Chem 62: 5298-5311 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00058
BindingDB Entry DOI: 10.7270/Q24170ZD
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50537595
PNG
(CHEMBL4642101 | US11149020, Compound 4 (MW-177))
Show SMILES CCN(CC)c1cc(-c2ccncc2)c(nn1)-c1ccccc1
Show InChI InChI=1S/C19H20N4/c1-3-23(4-2)18-14-17(15-10-12-20-13-11-15)19(22-21-18)16-8-6-5-7-9-16/h5-14H,3-4H2,1-2H3
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n/an/a 300n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Mutant Reverse transcriptase V106A


J Med Chem 62: 5298-5311 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00058
BindingDB Entry DOI: 10.7270/Q24170ZD
More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50537605
PNG
(CHEMBL4635980 | US11149020, Compound 28 (MW-118))
Show SMILES CN1CCN(CC1)c1cc(-c2ccncc2)c(nn1)-c1ccc2[nH]ccc2c1
Show InChI InChI=1S/C22H22N6/c1-27-10-12-28(13-11-27)21-15-19(16-4-7-23-8-5-16)22(26-25-21)18-2-3-20-17(14-18)6-9-24-20/h2-9,14-15,24H,10-13H2,1H3
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n/an/a 320n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Concentration required to inhibit the phosphorylation of a 14-residue fragment of phospholipase C gamma 1 by Epidermal growth factor receptor from A4...


J Med Chem 62: 5298-5311 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00058
BindingDB Entry DOI: 10.7270/Q24170ZD
More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50537595
PNG
(CHEMBL4642101 | US11149020, Compound 4 (MW-177))
Show SMILES CCN(CC)c1cc(-c2ccncc2)c(nn1)-c1ccccc1
Show InChI InChI=1S/C19H20N4/c1-3-23(4-2)18-14-17(15-10-12-20-13-11-15)19(22-21-18)16-8-6-5-7-9-16/h5-14H,3-4H2,1-2H3
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Northwestern University

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 wild-type reverse transcriptase.


J Med Chem 62: 5298-5311 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00058
BindingDB Entry DOI: 10.7270/Q24170ZD
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50537596
PNG
(CHEMBL4648747 | US11149020, Compound 5 (MW-207))
Show SMILES CCCN(C)c1cc(-c2ccncc2)c(nn1)-c1ccccc1
Show InChI InChI=1S/C19H20N4/c1-3-13-23(2)18-14-17(15-9-11-20-12-10-15)19(22-21-18)16-7-5-4-6-8-16/h4-12,14H,3,13H2,1-2H3
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Northwestern University

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Y188L reverse transcriptase.


J Med Chem 62: 5298-5311 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00058
BindingDB Entry DOI: 10.7270/Q24170ZD
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 11


(Homo sapiens (Human))
BDBM50537598
PNG
(CHEMBL4646628 | US11149020, Compound 1 (MW-181))
Show SMILES CN(C)c1cc(-c2ccncc2)c(nn1)-c1cccc2ccccc12
Show InChI InChI=1S/C21H18N4/c1-25(2)20-14-19(16-10-12-22-13-11-16)21(24-23-20)18-9-5-7-15-6-3-4-8-17(15)18/h3-14H,1-2H3
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n/an/a 410n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Y188L reverse transcriptase.


J Med Chem 62: 5298-5311 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00058
BindingDB Entry DOI: 10.7270/Q24170ZD
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50537597
PNG
(CHEMBL4645737 | US11149020, Compound 6 (MW-105))
Show SMILES CN(C)c1cc(-c2ccncc2)c(nn1)-c1ccccc1
Show InChI InChI=1S/C17H16N4/c1-21(2)16-12-15(13-8-10-18-11-9-13)17(20-19-16)14-6-4-3-5-7-14/h3-12H,1-2H3
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n/an/a 490n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 wild-type reverse transcriptase.


J Med Chem 62: 5298-5311 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00058
BindingDB Entry DOI: 10.7270/Q24170ZD
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 11


(Homo sapiens (Human))
BDBM50537606
PNG
(CHEMBL4647072 | US11149020, Compound 34 (MW-154))
Show SMILES C1CN(CCN1)c1cc(-c2ccncc2)c(nn1)-c1ccc2ccccc2c1
Show InChI InChI=1S/C23H21N5/c1-2-4-19-15-20(6-5-17(19)3-1)23-21(18-7-9-24-10-8-18)16-22(26-27-23)28-13-11-25-12-14-28/h1-10,15-16,25H,11-14H2
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n/an/a 500n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 wild-type reverse transcriptase.


J Med Chem 62: 5298-5311 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00058
BindingDB Entry DOI: 10.7270/Q24170ZD
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50537605
PNG
(CHEMBL4635980 | US11149020, Compound 28 (MW-118))
Show SMILES CN1CCN(CC1)c1cc(-c2ccncc2)c(nn1)-c1ccc2[nH]ccc2c1
Show InChI InChI=1S/C22H22N6/c1-27-10-12-28(13-11-27)21-15-19(16-4-7-23-8-5-16)22(26-25-21)18-2-3-20-17(14-18)6-9-24-20/h2-9,14-15,24H,10-13H2,1H3
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Northwestern University

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Mutant Reverse transcriptase G190A


J Med Chem 62: 5298-5311 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00058
BindingDB Entry DOI: 10.7270/Q24170ZD
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50537592
PNG
(CHEMBL4632881)
Show SMILES C1CN(CCN1c1cc(-c2ccncc2)c(nn1)-c1ccccc1)c1ncccn1
Show InChI InChI=1S/C23H21N7/c1-2-5-19(6-3-1)22-20(18-7-11-24-12-8-18)17-21(27-28-22)29-13-15-30(16-14-29)23-25-9-4-10-26-23/h1-12,17H,13-16H2
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n/an/a 600n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Y181C reverse transcriptase.


J Med Chem 62: 5298-5311 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00058
BindingDB Entry DOI: 10.7270/Q24170ZD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50537593
PNG
(CHEMBL4639555 | US11149020, Compound 3 (MW-066))
Show SMILES CN1CCN(CC1)c1cc(-c2ccncc2)c(nn1)-c1ccccc1
Show InChI InChI=1S/C20H21N5/c1-24-11-13-25(14-12-24)19-15-18(16-7-9-21-10-8-16)20(23-22-19)17-5-3-2-4-6-17/h2-10,15H,11-14H2,1H3
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Northwestern University

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Mutant Reverse transcriptase G190A


J Med Chem 62: 5298-5311 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00058
BindingDB Entry DOI: 10.7270/Q24170ZD
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50537603
PNG
(CHEMBL4642456 | US11149020, Compound 52 (MW-032))
Show SMILES CN1CCN(CC1)c1cc(-c2ccncc2)c(nn1)-c1ccc2cccc(F)c2c1
Show InChI InChI=1S/C24H22FN5/c1-29-11-13-30(14-12-29)23-16-21(18-7-9-26-10-8-18)24(28-27-23)19-6-5-17-3-2-4-22(25)20(17)15-19/h2-10,15-16H,11-14H2,1H3
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Northwestern University

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Y181C reverse transcriptase.


J Med Chem 62: 5298-5311 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00058
BindingDB Entry DOI: 10.7270/Q24170ZD
More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50537597
PNG
(CHEMBL4645737 | US11149020, Compound 6 (MW-105))
Show SMILES CN(C)c1cc(-c2ccncc2)c(nn1)-c1ccccc1
Show InChI InChI=1S/C17H16N4/c1-21(2)16-12-15(13-8-10-18-11-9-13)17(20-19-16)14-6-4-3-5-7-14/h3-12H,1-2H3
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n/an/a 710n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Y188L reverse transcriptase.


J Med Chem 62: 5298-5311 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00058
BindingDB Entry DOI: 10.7270/Q24170ZD
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50537602
PNG
(CHEMBL4640881 | US11149020, Compound 50 (MW-017))
Show SMILES CN1CCN(CC1)c1cc(-c2ccncc2)c(nn1)-c1ccc2ccc(F)cc2c1
Show InChI InChI=1S/C24H22FN5/c1-29-10-12-30(13-11-29)23-16-22(18-6-8-26-9-7-18)24(28-27-23)19-3-2-17-4-5-21(25)15-20(17)14-19/h2-9,14-16H,10-13H2,1H3
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n/an/a 710n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 wild-type reverse transcriptase.


J Med Chem 62: 5298-5311 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00058
BindingDB Entry DOI: 10.7270/Q24170ZD
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50537601
PNG
(CHEMBL4643993 | US11149020, Compound 49 (MW-203))
Show SMILES CN1CCN(CC1)c1cc(-c2ccncc2)c(nn1)-c1ccc2cc(F)ccc2c1
Show InChI InChI=1S/C24H22FN5/c1-29-10-12-30(13-11-29)23-16-22(17-6-8-26-9-7-17)24(28-27-23)20-3-2-19-15-21(25)5-4-18(19)14-20/h2-9,14-16H,10-13H2,1H3
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n/an/a 920n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Mutant Reverse transcriptase V106A


J Med Chem 62: 5298-5311 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00058
BindingDB Entry DOI: 10.7270/Q24170ZD
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 11


(Homo sapiens (Human))
BDBM15244
PNG
(5-(2,6-dichlorophenyl)-2-(2,4-difluorophenyl)sulfa...)
Show SMILES Fc1ccc(Sc2ccc3c(-c4c(Cl)cccc4Cl)c(=O)ncn3n2)c(F)c1 |(-1.69,6.87,;-1.69,5.33,;-.36,4.56,;-.36,3.02,;-1.69,2.25,;-1.69,.71,;-3.03,-.06,;-3.03,-1.6,;-4.36,-2.37,;-5.75,-1.54,;-7.08,-2.31,;-7.08,-3.85,;-5.75,-4.62,;-4.42,-3.85,;-5.75,-6.16,;-7.08,-6.93,;-8.42,-6.16,;-8.42,-4.62,;-9.75,-3.85,;-8.42,-1.54,;-9.75,-2.31,;-8.42,,;-7.08,.77,;-5.75,,;-4.36,.71,;-3.03,3.02,;-4.36,2.25,;-3.03,4.56,)|
Show InChI InChI=1S/C19H9Cl2F2N3OS/c20-11-2-1-3-12(21)17(11)18-14-5-7-16(25-26(14)9-24-19(18)27)28-15-6-4-10(22)8-13(15)23/h1-9H
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n/an/a<1.00E+3n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Y188L reverse transcriptase.


J Med Chem 62: 5298-5311 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00058
BindingDB Entry DOI: 10.7270/Q24170ZD
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 11


(Homo sapiens (Human))
BDBM13533
PNG
(1-[2-(4-methylphenyl)-5-tert-butyl-pyrazol-3-yl]-3...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C31H37N5O3/c1-22-9-11-23(12-10-22)36-29(21-28(34-36)31(2,3)4)33-30(37)32-26-13-14-27(25-8-6-5-7-24(25)26)39-20-17-35-15-18-38-19-16-35/h5-14,21H,15-20H2,1-4H3,(H2,32,33,37)
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n/an/a<1.00E+3n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Mutant Reverse transcriptase P236L


J Med Chem 62: 5298-5311 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00058
BindingDB Entry DOI: 10.7270/Q24170ZD
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 11


(Homo sapiens (Human))
BDBM50045333
PNG
(CHEBI:90705 | SB-203580)
Show SMILES C[S+]([O-])c1ccc(cc1)-c1nc(c([nH]1)-c1ccncc1)-c1ccc(F)cc1
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Northwestern University

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 wild-type reverse transcriptase.


J Med Chem 62: 5298-5311 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00058
BindingDB Entry DOI: 10.7270/Q24170ZD
More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50045333
PNG
(CHEBI:90705 | SB-203580)
Show SMILES C[S+]([O-])c1ccc(cc1)-c1nc(c([nH]1)-c1ccncc1)-c1ccc(F)cc1
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Northwestern University

Curated by ChEMBL


Assay Description
Concentration required to inhibit the phosphorylation of a 14-residue fragment of phospholipase C gamma 1 by Epidermal growth factor receptor from A4...


J Med Chem 62: 5298-5311 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00058
BindingDB Entry DOI: 10.7270/Q24170ZD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM15244
PNG
(5-(2,6-dichlorophenyl)-2-(2,4-difluorophenyl)sulfa...)
Show SMILES Fc1ccc(Sc2ccc3c(-c4c(Cl)cccc4Cl)c(=O)ncn3n2)c(F)c1 |(-1.69,6.87,;-1.69,5.33,;-.36,4.56,;-.36,3.02,;-1.69,2.25,;-1.69,.71,;-3.03,-.06,;-3.03,-1.6,;-4.36,-2.37,;-5.75,-1.54,;-7.08,-2.31,;-7.08,-3.85,;-5.75,-4.62,;-4.42,-3.85,;-5.75,-6.16,;-7.08,-6.93,;-8.42,-6.16,;-8.42,-4.62,;-9.75,-3.85,;-8.42,-1.54,;-9.75,-2.31,;-8.42,,;-7.08,.77,;-5.75,,;-4.36,.71,;-3.03,3.02,;-4.36,2.25,;-3.03,4.56,)|
Show InChI InChI=1S/C19H9Cl2F2N3OS/c20-11-2-1-3-12(21)17(11)18-14-5-7-16(25-26(14)9-24-19(18)27)28-15-6-4-10(22)8-13(15)23/h1-9H
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n/an/a<1.00E+3n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Concentration required to inhibit the phosphorylation of a 14-residue fragment of phospholipase C gamma 1 by Epidermal growth factor receptor from A4...


J Med Chem 62: 5298-5311 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00058
BindingDB Entry DOI: 10.7270/Q24170ZD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL2


(Homo sapiens (Human))
BDBM15244
PNG
(5-(2,6-dichlorophenyl)-2-(2,4-difluorophenyl)sulfa...)
Show SMILES Fc1ccc(Sc2ccc3c(-c4c(Cl)cccc4Cl)c(=O)ncn3n2)c(F)c1 |(-1.69,6.87,;-1.69,5.33,;-.36,4.56,;-.36,3.02,;-1.69,2.25,;-1.69,.71,;-3.03,-.06,;-3.03,-1.6,;-4.36,-2.37,;-5.75,-1.54,;-7.08,-2.31,;-7.08,-3.85,;-5.75,-4.62,;-4.42,-3.85,;-5.75,-6.16,;-7.08,-6.93,;-8.42,-6.16,;-8.42,-4.62,;-9.75,-3.85,;-8.42,-1.54,;-9.75,-2.31,;-8.42,,;-7.08,.77,;-5.75,,;-4.36,.71,;-3.03,3.02,;-4.36,2.25,;-3.03,4.56,)|
Show InChI InChI=1S/C19H9Cl2F2N3OS/c20-11-2-1-3-12(21)17(11)18-14-5-7-16(25-26(14)9-24-19(18)27)28-15-6-4-10(22)8-13(15)23/h1-9H
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n/an/a<1.00E+3n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Concentration required to inhibit the phosphorylation of a 14-residue fragment of phospholipase C gamma 1 by Epidermal growth factor receptor from A4...


J Med Chem 62: 5298-5311 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00058
BindingDB Entry DOI: 10.7270/Q24170ZD
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM15244
PNG
(5-(2,6-dichlorophenyl)-2-(2,4-difluorophenyl)sulfa...)
Show SMILES Fc1ccc(Sc2ccc3c(-c4c(Cl)cccc4Cl)c(=O)ncn3n2)c(F)c1 |(-1.69,6.87,;-1.69,5.33,;-.36,4.56,;-.36,3.02,;-1.69,2.25,;-1.69,.71,;-3.03,-.06,;-3.03,-1.6,;-4.36,-2.37,;-5.75,-1.54,;-7.08,-2.31,;-7.08,-3.85,;-5.75,-4.62,;-4.42,-3.85,;-5.75,-6.16,;-7.08,-6.93,;-8.42,-6.16,;-8.42,-4.62,;-9.75,-3.85,;-8.42,-1.54,;-9.75,-2.31,;-8.42,,;-7.08,.77,;-5.75,,;-4.36,.71,;-3.03,3.02,;-4.36,2.25,;-3.03,4.56,)|
Show InChI InChI=1S/C19H9Cl2F2N3OS/c20-11-2-1-3-12(21)17(11)18-14-5-7-16(25-26(14)9-24-19(18)27)28-15-6-4-10(22)8-13(15)23/h1-9H
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n/an/a<1.00E+3n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Concentration required to inhibit the phosphorylation of a 14-residue fragment of phospholipase C gamma 1 by Epidermal growth factor receptor from A4...


J Med Chem 62: 5298-5311 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00058
BindingDB Entry DOI: 10.7270/Q24170ZD
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM15244
PNG
(5-(2,6-dichlorophenyl)-2-(2,4-difluorophenyl)sulfa...)
Show SMILES Fc1ccc(Sc2ccc3c(-c4c(Cl)cccc4Cl)c(=O)ncn3n2)c(F)c1 |(-1.69,6.87,;-1.69,5.33,;-.36,4.56,;-.36,3.02,;-1.69,2.25,;-1.69,.71,;-3.03,-.06,;-3.03,-1.6,;-4.36,-2.37,;-5.75,-1.54,;-7.08,-2.31,;-7.08,-3.85,;-5.75,-4.62,;-4.42,-3.85,;-5.75,-6.16,;-7.08,-6.93,;-8.42,-6.16,;-8.42,-4.62,;-9.75,-3.85,;-8.42,-1.54,;-9.75,-2.31,;-8.42,,;-7.08,.77,;-5.75,,;-4.36,.71,;-3.03,3.02,;-4.36,2.25,;-3.03,4.56,)|
Show InChI InChI=1S/C19H9Cl2F2N3OS/c20-11-2-1-3-12(21)17(11)18-14-5-7-16(25-26(14)9-24-19(18)27)28-15-6-4-10(22)8-13(15)23/h1-9H
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n/an/a<1.00E+3n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Concentration required to inhibit the phosphorylation of a 14-residue fragment of phospholipase C gamma 1 by Epidermal growth factor receptor from A4...


J Med Chem 62: 5298-5311 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00058
BindingDB Entry DOI: 10.7270/Q24170ZD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Blk


(Homo sapiens (Human))
BDBM13533
PNG
(1-[2-(4-methylphenyl)-5-tert-butyl-pyrazol-3-yl]-3...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C31H37N5O3/c1-22-9-11-23(12-10-22)36-29(21-28(34-36)31(2,3)4)33-30(37)32-26-13-14-27(25-8-6-5-7-24(25)26)39-20-17-35-15-18-38-19-16-35/h5-14,21H,15-20H2,1-4H3,(H2,32,33,37)
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n/an/a<1.00E+3n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Concentration required to inhibit the phosphorylation of a 14-residue fragment of phospholipase C gamma 1 by Epidermal growth factor receptor from A4...


J Med Chem 62: 5298-5311 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00058
BindingDB Entry DOI: 10.7270/Q24170ZD
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5


(Homo sapiens (Human))
BDBM13533
PNG
(1-[2-(4-methylphenyl)-5-tert-butyl-pyrazol-3-yl]-3...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C31H37N5O3/c1-22-9-11-23(12-10-22)36-29(21-28(34-36)31(2,3)4)33-30(37)32-26-13-14-27(25-8-6-5-7-24(25)26)39-20-17-35-15-18-38-19-16-35/h5-14,21H,15-20H2,1-4H3,(H2,32,33,37)
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n/an/a<1.00E+3n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Concentration required to inhibit the phosphorylation of a 14-residue fragment of phospholipase C gamma 1 by Epidermal growth factor receptor from A4...


J Med Chem 62: 5298-5311 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00058
BindingDB Entry DOI: 10.7270/Q24170ZD
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 8


(Homo sapiens (Human))
BDBM13533
PNG
(1-[2-(4-methylphenyl)-5-tert-butyl-pyrazol-3-yl]-3...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C31H37N5O3/c1-22-9-11-23(12-10-22)36-29(21-28(34-36)31(2,3)4)33-30(37)32-26-13-14-27(25-8-6-5-7-24(25)26)39-20-17-35-15-18-38-19-16-35/h5-14,21H,15-20H2,1-4H3,(H2,32,33,37)
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n/an/a<1.00E+3n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Concentration required to inhibit the phosphorylation of a 14-residue fragment of phospholipase C gamma 1 by Epidermal growth factor receptor from A4...


J Med Chem 62: 5298-5311 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00058
BindingDB Entry DOI: 10.7270/Q24170ZD
More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM13533
PNG
(1-[2-(4-methylphenyl)-5-tert-butyl-pyrazol-3-yl]-3...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C31H37N5O3/c1-22-9-11-23(12-10-22)36-29(21-28(34-36)31(2,3)4)33-30(37)32-26-13-14-27(25-8-6-5-7-24(25)26)39-20-17-35-15-18-38-19-16-35/h5-14,21H,15-20H2,1-4H3,(H2,32,33,37)
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n/an/a<1.00E+3n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Concentration required to inhibit the phosphorylation of a 14-residue fragment of phospholipase C gamma 1 by Epidermal growth factor receptor from A4...


J Med Chem 62: 5298-5311 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00058
BindingDB Entry DOI: 10.7270/Q24170ZD
More data for this
Ligand-Target Pair
Discoidin domain-containing receptor 2


(Homo sapiens (Human))
BDBM13533
PNG
(1-[2-(4-methylphenyl)-5-tert-butyl-pyrazol-3-yl]-3...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C31H37N5O3/c1-22-9-11-23(12-10-22)36-29(21-28(34-36)31(2,3)4)33-30(37)32-26-13-14-27(25-8-6-5-7-24(25)26)39-20-17-35-15-18-38-19-16-35/h5-14,21H,15-20H2,1-4H3,(H2,32,33,37)
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n/an/a<1.00E+3n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Concentration required to inhibit the phosphorylation of a 14-residue fragment of phospholipase C gamma 1 by Epidermal growth factor receptor from A4...


J Med Chem 62: 5298-5311 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00058
BindingDB Entry DOI: 10.7270/Q24170ZD
More data for this
Ligand-Target Pair
Ephrin type-A receptor 3


(Homo sapiens (Human))
BDBM13533
PNG
(1-[2-(4-methylphenyl)-5-tert-butyl-pyrazol-3-yl]-3...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C31H37N5O3/c1-22-9-11-23(12-10-22)36-29(21-28(34-36)31(2,3)4)33-30(37)32-26-13-14-27(25-8-6-5-7-24(25)26)39-20-17-35-15-18-38-19-16-35/h5-14,21H,15-20H2,1-4H3,(H2,32,33,37)
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n/an/a<1.00E+3n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Concentration required to inhibit the phosphorylation of a 14-residue fragment of phospholipase C gamma 1 by Epidermal growth factor receptor from A4...


J Med Chem 62: 5298-5311 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00058
BindingDB Entry DOI: 10.7270/Q24170ZD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Ephrin type-A receptor 7


(Homo sapiens (Human))
BDBM13533
PNG
(1-[2-(4-methylphenyl)-5-tert-butyl-pyrazol-3-yl]-3...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C31H37N5O3/c1-22-9-11-23(12-10-22)36-29(21-28(34-36)31(2,3)4)33-30(37)32-26-13-14-27(25-8-6-5-7-24(25)26)39-20-17-35-15-18-38-19-16-35/h5-14,21H,15-20H2,1-4H3,(H2,32,33,37)
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n/an/a<1.00E+3n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Concentration required to inhibit the phosphorylation of a 14-residue fragment of phospholipase C gamma 1 by Epidermal growth factor receptor from A4...


J Med Chem 62: 5298-5311 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00058
BindingDB Entry DOI: 10.7270/Q24170ZD
More data for this
Ligand-Target Pair
Ephrin type-A receptor 8


(Homo sapiens (Human))
BDBM13533
PNG
(1-[2-(4-methylphenyl)-5-tert-butyl-pyrazol-3-yl]-3...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C31H37N5O3/c1-22-9-11-23(12-10-22)36-29(21-28(34-36)31(2,3)4)33-30(37)32-26-13-14-27(25-8-6-5-7-24(25)26)39-20-17-35-15-18-38-19-16-35/h5-14,21H,15-20H2,1-4H3,(H2,32,33,37)
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n/an/a<1.00E+3n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Concentration required to inhibit the phosphorylation of a 14-residue fragment of phospholipase C gamma 1 by Epidermal growth factor receptor from A4...


J Med Chem 62: 5298-5311 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00058
BindingDB Entry DOI: 10.7270/Q24170ZD
More data for this
Ligand-Target Pair
Ephrin type-B receptor 2


(Homo sapiens (Human))
BDBM13533
PNG
(1-[2-(4-methylphenyl)-5-tert-butyl-pyrazol-3-yl]-3...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C31H37N5O3/c1-22-9-11-23(12-10-22)36-29(21-28(34-36)31(2,3)4)33-30(37)32-26-13-14-27(25-8-6-5-7-24(25)26)39-20-17-35-15-18-38-19-16-35/h5-14,21H,15-20H2,1-4H3,(H2,32,33,37)
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n/an/a<1.00E+3n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Concentration required to inhibit the phosphorylation of a 14-residue fragment of phospholipase C gamma 1 by Epidermal growth factor receptor from A4...


J Med Chem 62: 5298-5311 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00058
BindingDB Entry DOI: 10.7270/Q24170ZD
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 12


(Homo sapiens (Human))
BDBM13533
PNG
(1-[2-(4-methylphenyl)-5-tert-butyl-pyrazol-3-yl]-3...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C31H37N5O3/c1-22-9-11-23(12-10-22)36-29(21-28(34-36)31(2,3)4)33-30(37)32-26-13-14-27(25-8-6-5-7-24(25)26)39-20-17-35-15-18-38-19-16-35/h5-14,21H,15-20H2,1-4H3,(H2,32,33,37)
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n/an/a<1.00E+3n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Concentration required to inhibit the phosphorylation of a 14-residue fragment of phospholipase C gamma 1 by Epidermal growth factor receptor from A4...


J Med Chem 62: 5298-5311 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00058
BindingDB Entry DOI: 10.7270/Q24170ZD
More data for this
Ligand-Target Pair
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