Found 465 hits with Last Name = 'chong' and Initial = 'y' Target/Host (Institution) | Ligand | Target/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 | pH | Temp °C |
Androgen receptor
(Homo sapiens (Human)) | BDBM50570254
(CHEMBL4865865)Show SMILES CN1CCC(CC1)Oc1ccc(cc1)N1C(=S)N(C(=O)C11CCC1)c1cnc(C#N)c(c1)C(F)(F)F | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 8.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Binding affinity to wild-type androgen receptor in human LNCaP cells assessed as inhibition constant incubated for 24 hrs by Cheng-Prusoff equation a... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01563 BindingDB Entry DOI: 10.7270/Q29027KP |
More data for this Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50425732
(ENZALUTAMIDE | US10053433, FC 4.129 | US10806720, ...)Show SMILES CNC(=O)c1ccc(cc1F)N1C(=S)N(C(=O)C1(C)C)c1ccc(C#N)c(c1)C(F)(F)F Show InChI InChI=1S/C21H16F4N4O2S/c1-20(2)18(31)28(12-5-4-11(10-26)15(8-12)21(23,24)25)19(32)29(20)13-6-7-14(16(22)9-13)17(30)27-3/h4-9H,1-3H3,(H,27,30) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
DrugBank MCE PC cid PC sid UniChem
Similars
| DrugBank Article PubMed
| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Binding affinity to wild-type androgen receptor in human LNCaP cells assessed as inhibition constant incubated for 24 hrs by Cheng-Prusoff equation a... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01563 BindingDB Entry DOI: 10.7270/Q29027KP |
More data for this Ligand-Target Pair | |
Trifunctional purine biosynthetic protein adenosine-3
(Homo sapiens (Human)) | BDBM22590
((2S)-2-[(4-{2-[(6R)-2-amino-4-oxo-1H,4H,5H,6H,7H,8...)Show SMILES Nc1nc2NC[C@H](CCc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)Cc2c(=O)[nH]1 Show InChI InChI=1S/C21H25N5O6/c22-21-25-17-14(19(30)26-21)9-12(10-23-17)2-1-11-3-5-13(6-4-11)18(29)24-15(20(31)32)7-8-16(27)28/h3-6,12,15H,1-2,7-10H2,(H,24,29)(H,27,28)(H,31,32)(H4,22,23,25,26,30)/t12-,15+/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 60 | -41.4 | n/a | n/a | n/a | n/a | n/a | 7.5 | 26 |
The Scripps Research Institute
| Assay Description Assays were initiated by the addition of GAR to the reaction mixture containing GAR Tfase, test compounds, and cofactor. The assay monitors the defor... |
J Biol Chem 282: 13033-46 (2007)
Article DOI: 10.1074/jbc.M607293200 BindingDB Entry DOI: 10.7270/Q2GM85MB |
More data for this Ligand-Target Pair | |
Phosphoribosylglycinamide formyltransferase
(Escherichia coli (strain K12)) | BDBM22590
((2S)-2-[(4-{2-[(6R)-2-amino-4-oxo-1H,4H,5H,6H,7H,8...)Show SMILES Nc1nc2NC[C@H](CCc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)Cc2c(=O)[nH]1 Show InChI InChI=1S/C21H25N5O6/c22-21-25-17-14(19(30)26-21)9-12(10-23-17)2-1-11-3-5-13(6-4-11)18(29)24-15(20(31)32)7-8-16(27)28/h3-6,12,15H,1-2,7-10H2,(H,24,29)(H,27,28)(H,31,32)(H4,22,23,25,26,30)/t12-,15+/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 100 | -40.1 | n/a | n/a | n/a | n/a | n/a | 7.5 | 26 |
The Scripps Research Institute
| Assay Description Assays were initiated by the addition of GAR to the reaction mixture containing GAR Tfase, test compounds, and cofactor. The assay monitors the defor... |
J Biol Chem 282: 13033-46 (2007)
Article DOI: 10.1074/jbc.M607293200 BindingDB Entry DOI: 10.7270/Q2GM85MB |
More data for this Ligand-Target Pair | |
Bifunctional purine biosynthesis protein ATIC
(Homo sapiens (Human)) | BDBM22585
(1H,3H,4H,7H-2,1,3,5,7-imidazo[4,5-c][1,2,6]thiadia...)Show InChI InChI=1S/C4H4N4O3S/c9-4-2-3(6-1-5-2)7-12(10,11)8-4/h1,7H,(H,5,6)(H,8,9) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| Article PubMed
| 130 | -38.9 | n/a | n/a | n/a | n/a | n/a | 7.4 | 22 |
The Scripps Research Institute
| Assay Description The human ATIC enzyme was used for the inhibition assay using the spectrophotometric method monitoring the appearance of IMP by measuring absorbance ... |
J Biol Chem 282: 13033-46 (2007)
Article DOI: 10.1074/jbc.M607293200 BindingDB Entry DOI: 10.7270/Q2GM85MB |
More data for this Ligand-Target Pair | |
Bifunctional purine biosynthesis protein ATIC
(Homo sapiens (Human)) | BDBM22588
(Nucleotide, 3 | {[(2R,3S,4R,5R)-3,4-dihydroxy-5-(2...)Show SMILES O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)n1cnc2c1NS(=O)(=O)NC2=O |r| Show InChI InChI=1S/C9H13N4O10PS/c14-5-3(1-22-24(17,18)19)23-9(6(5)15)13-2-10-4-7(13)11-25(20,21)12-8(4)16/h2-3,5-6,9,11,14-15H,1H2,(H,12,16)(H2,17,18,19)/t3-,5-,6-,9-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| MMDB PC cid PC sid PDB UniChem
Similars
| Article PubMed
| 150 | -38.6 | n/a | n/a | n/a | n/a | n/a | 7.4 | 22 |
The Scripps Research Institute
| Assay Description The human ATIC enzyme was used for the inhibition assay using the spectrophotometric method monitoring the appearance of IMP by measuring absorbance ... |
J Biol Chem 282: 13033-46 (2007)
Article DOI: 10.1074/jbc.M607293200 BindingDB Entry DOI: 10.7270/Q2GM85MB |
More data for this Ligand-Target Pair | 3D Structure (docked) |
Bifunctional purine biosynthesis protein ATIC
(Homo sapiens (Human)) | BDBM22587
(7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)ox...)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c1NS(=O)(=O)NC2=O |r| Show InChI InChI=1S/C9H12N4O7S/c14-1-3-5(15)6(16)9(20-3)13-2-10-4-7(13)11-21(18,19)12-8(4)17/h2-3,5-6,9,11,14-16H,1H2,(H,12,17)/t3-,5-,6-,9-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| MMDB PC cid PC sid PDB UniChem
Similars
| Article PubMed
| 230 | -37.5 | n/a | n/a | n/a | n/a | n/a | 7.4 | 22 |
The Scripps Research Institute
| Assay Description The human ATIC enzyme was used for the inhibition assay using the spectrophotometric method monitoring the appearance of IMP by measuring absorbance ... |
J Biol Chem 282: 13033-46 (2007)
Article DOI: 10.1074/jbc.M607293200 BindingDB Entry DOI: 10.7270/Q2GM85MB |
More data for this Ligand-Target Pair | 3D Structure (docked) |
Trifunctional purine biosynthetic protein adenosine-3
(Homo sapiens (Human)) | BDBM22588
(Nucleotide, 3 | {[(2R,3S,4R,5R)-3,4-dihydroxy-5-(2...)Show SMILES O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)n1cnc2c1NS(=O)(=O)NC2=O |r| Show InChI InChI=1S/C9H13N4O10PS/c14-5-3(1-22-24(17,18)19)23-9(6(5)15)13-2-10-4-7(13)11-25(20,21)12-8(4)16/h2-3,5-6,9,11,14-15H,1H2,(H,12,16)(H2,17,18,19)/t3-,5-,6-,9-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| MMDB PC cid PC sid PDB UniChem
Similars
| Article PubMed
| 4.80E+3 | -30.5 | n/a | n/a | n/a | n/a | n/a | 7.5 | 26 |
The Scripps Research Institute
| Assay Description Assays were initiated by the addition of GAR to the reaction mixture containing GAR Tfase, test compounds, and cofactor. The assay monitors the defor... |
J Biol Chem 282: 13033-46 (2007)
Article DOI: 10.1074/jbc.M607293200 BindingDB Entry DOI: 10.7270/Q2GM85MB |
More data for this Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50570254
(CHEMBL4865865)Show SMILES CN1CCC(CC1)Oc1ccc(cc1)N1C(=S)N(C(=O)C11CCC1)c1cnc(C#N)c(c1)C(F)(F)F | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 9.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Binding affinity to glucocorticoid receptor in human IM-9 cells assessed as inhibition constant incubated for 6 hrs by Cheng-Prusoff equation analysi... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01563 BindingDB Entry DOI: 10.7270/Q29027KP |
More data for this Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50425732
(ENZALUTAMIDE | US10053433, FC 4.129 | US10806720, ...)Show SMILES CNC(=O)c1ccc(cc1F)N1C(=S)N(C(=O)C1(C)C)c1ccc(C#N)c(c1)C(F)(F)F Show InChI InChI=1S/C21H16F4N4O2S/c1-20(2)18(31)28(12-5-4-11(10-26)15(8-12)21(23,24)25)19(32)29(20)13-6-7-14(16(22)9-13)17(30)27-3/h4-9H,1-3H3,(H,27,30) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
DrugBank MCE PC cid PC sid UniChem
Similars
| Article PubMed
| 1.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Binding affinity to glucocorticoid receptor in human IM-9 cells assessed as inhibition constant incubated for 6 hrs by Cheng-Prusoff equation analysi... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01563 BindingDB Entry DOI: 10.7270/Q29027KP |
More data for this Ligand-Target Pair | |
Phosphoribosylglycinamide formyltransferase
(Escherichia coli (strain K12)) | BDBM22588
(Nucleotide, 3 | {[(2R,3S,4R,5R)-3,4-dihydroxy-5-(2...)Show SMILES O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)n1cnc2c1NS(=O)(=O)NC2=O |r| Show InChI InChI=1S/C9H13N4O10PS/c14-5-3(1-22-24(17,18)19)23-9(6(5)15)13-2-10-4-7(13)11-25(20,21)12-8(4)16/h2-3,5-6,9,11,14-15H,1H2,(H,12,16)(H2,17,18,19)/t3-,5-,6-,9-/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| MMDB PC cid PC sid PDB UniChem
Similars
| Article PubMed
| >1.00E+5 | >-22.9 | n/a | n/a | n/a | n/a | n/a | 7.5 | 26 |
The Scripps Research Institute
| Assay Description Assays were initiated by the addition of GAR to the reaction mixture containing GAR Tfase, test compounds, and cofactor. The assay monitors the defor... |
J Biol Chem 282: 13033-46 (2007)
Article DOI: 10.1074/jbc.M607293200 BindingDB Entry DOI: 10.7270/Q2GM85MB |
More data for this Ligand-Target Pair | |
Bifunctional purine biosynthesis protein ATIC
(Homo sapiens (Human)) | BDBM22585
(1H,3H,4H,7H-2,1,3,5,7-imidazo[4,5-c][1,2,6]thiadia...)Show InChI InChI=1S/C4H4N4O3S/c9-4-2-3(6-1-5-2)7-12(10,11)8-4/h1,7H,(H,5,6)(H,8,9) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| Article PubMed
| >1.00E+5 | >-22.6 | n/a | n/a | n/a | n/a | n/a | 7.5 | 22 |
The Scripps Research Institute
| Assay Description Recombinant human AICAR Tfase was used in the inhibition assay. The reaction was monitored at 298 nm by measuring the increase in absorbance correspo... |
J Biol Chem 282: 13033-46 (2007)
Article DOI: 10.1074/jbc.M607293200 BindingDB Entry DOI: 10.7270/Q2GM85MB |
More data for this Ligand-Target Pair | |
Bifunctional purine biosynthesis protein ATIC
(Homo sapiens (Human)) | BDBM22587
(7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)ox...)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c1NS(=O)(=O)NC2=O |r| Show InChI InChI=1S/C9H12N4O7S/c14-1-3-5(15)6(16)9(20-3)13-2-10-4-7(13)11-21(18,19)12-8(4)17/h2-3,5-6,9,11,14-16H,1H2,(H,12,17)/t3-,5-,6-,9-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| MMDB PC cid PC sid PDB UniChem
Similars
| Article PubMed
| >1.00E+5 | >-22.6 | n/a | n/a | n/a | n/a | n/a | 7.5 | 22 |
The Scripps Research Institute
| Assay Description Recombinant human AICAR Tfase was used in the inhibition assay. The reaction was monitored at 298 nm by measuring the increase in absorbance correspo... |
J Biol Chem 282: 13033-46 (2007)
Article DOI: 10.1074/jbc.M607293200 BindingDB Entry DOI: 10.7270/Q2GM85MB |
More data for this Ligand-Target Pair | 3D Structure (docked) |
Trifunctional purine biosynthetic protein adenosine-3
(Homo sapiens (Human)) | BDBM22587
(7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)ox...)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c1NS(=O)(=O)NC2=O |r| Show InChI InChI=1S/C9H12N4O7S/c14-1-3-5(15)6(16)9(20-3)13-2-10-4-7(13)11-21(18,19)12-8(4)17/h2-3,5-6,9,11,14-16H,1H2,(H,12,17)/t3-,5-,6-,9-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| MMDB PC cid PC sid PDB UniChem
Similars
| Article PubMed
| >1.00E+5 | >-22.9 | n/a | n/a | n/a | n/a | n/a | 7.5 | 26 |
The Scripps Research Institute
| Assay Description Assays were initiated by the addition of GAR to the reaction mixture containing GAR Tfase, test compounds, and cofactor. The assay monitors the defor... |
J Biol Chem 282: 13033-46 (2007)
Article DOI: 10.1074/jbc.M607293200 BindingDB Entry DOI: 10.7270/Q2GM85MB |
More data for this Ligand-Target Pair | |
Phosphoribosylglycinamide formyltransferase
(Escherichia coli (strain K12)) | BDBM22587
(7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)ox...)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c1NS(=O)(=O)NC2=O |r| Show InChI InChI=1S/C9H12N4O7S/c14-1-3-5(15)6(16)9(20-3)13-2-10-4-7(13)11-21(18,19)12-8(4)17/h2-3,5-6,9,11,14-16H,1H2,(H,12,17)/t3-,5-,6-,9-/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| MMDB PC cid PC sid PDB UniChem
Similars
| Article PubMed
| >1.00E+5 | >-22.9 | n/a | n/a | n/a | n/a | n/a | 7.5 | 26 |
The Scripps Research Institute
| Assay Description Assays were initiated by the addition of GAR to the reaction mixture containing GAR Tfase, test compounds, and cofactor. The assay monitors the defor... |
J Biol Chem 282: 13033-46 (2007)
Article DOI: 10.1074/jbc.M607293200 BindingDB Entry DOI: 10.7270/Q2GM85MB |
More data for this Ligand-Target Pair | |
Phosphoribosylglycinamide formyltransferase
(Escherichia coli (strain K12)) | BDBM22585
(1H,3H,4H,7H-2,1,3,5,7-imidazo[4,5-c][1,2,6]thiadia...)Show InChI InChI=1S/C4H4N4O3S/c9-4-2-3(6-1-5-2)7-12(10,11)8-4/h1,7H,(H,5,6)(H,8,9) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| Article PubMed
| >1.00E+5 | >-22.9 | n/a | n/a | n/a | n/a | n/a | 7.5 | 26 |
The Scripps Research Institute
| Assay Description Assays were initiated by the addition of GAR to the reaction mixture containing GAR Tfase, test compounds, and cofactor. The assay monitors the defor... |
J Biol Chem 282: 13033-46 (2007)
Article DOI: 10.1074/jbc.M607293200 BindingDB Entry DOI: 10.7270/Q2GM85MB |
More data for this Ligand-Target Pair | |
Trifunctional purine biosynthetic protein adenosine-3
(Homo sapiens (Human)) | BDBM22585
(1H,3H,4H,7H-2,1,3,5,7-imidazo[4,5-c][1,2,6]thiadia...)Show InChI InChI=1S/C4H4N4O3S/c9-4-2-3(6-1-5-2)7-12(10,11)8-4/h1,7H,(H,5,6)(H,8,9) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| Article PubMed
| >1.00E+5 | >-22.9 | n/a | n/a | n/a | n/a | n/a | 7.5 | 26 |
The Scripps Research Institute
| Assay Description Assays were initiated by the addition of GAR to the reaction mixture containing GAR Tfase, test compounds, and cofactor. The assay monitors the defor... |
J Biol Chem 282: 13033-46 (2007)
Article DOI: 10.1074/jbc.M607293200 BindingDB Entry DOI: 10.7270/Q2GM85MB |
More data for this Ligand-Target Pair | |
Bifunctional purine biosynthesis protein ATIC
(Homo sapiens (Human)) | BDBM22588
(Nucleotide, 3 | {[(2R,3S,4R,5R)-3,4-dihydroxy-5-(2...)Show SMILES O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)n1cnc2c1NS(=O)(=O)NC2=O |r| Show InChI InChI=1S/C9H13N4O10PS/c14-5-3(1-22-24(17,18)19)23-9(6(5)15)13-2-10-4-7(13)11-25(20,21)12-8(4)16/h2-3,5-6,9,11,14-15H,1H2,(H,12,16)(H2,17,18,19)/t3-,5-,6-,9-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| MMDB PC cid PC sid PDB UniChem
Similars
| Article PubMed
| >1.00E+5 | >-22.6 | n/a | n/a | n/a | n/a | n/a | 7.5 | 22 |
The Scripps Research Institute
| Assay Description Recombinant human AICAR Tfase was used in the inhibition assay. The reaction was monitored at 298 nm by measuring the increase in absorbance correspo... |
J Biol Chem 282: 13033-46 (2007)
Article DOI: 10.1074/jbc.M607293200 BindingDB Entry DOI: 10.7270/Q2GM85MB |
More data for this Ligand-Target Pair | 3D Structure (docked) |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM50124208
(ASP-015K | ASP015K | Peficitinib)Show SMILES NC(=O)c1cnc2[nH]ccc2c1N[C@H]1[C@H]2CC3C[C@@H]1C[C@](O)(C3)C2 |r,TLB:17:16:23:13.18.19,THB:22:16:13:23.20.19| Show InChI InChI=1S/C18H22N4O2/c19-16(23)13-8-21-17-12(1-2-20-17)15(13)22-14-10-3-9-4-11(14)7-18(24,5-9)6-10/h1-2,8-11,14,24H,3-7H2,(H2,19,23)(H2,20,21,22)/t9?,10-,11+,14-,18- | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.710 | n/a | n/a | n/a | n/a | n/a | n/a |
Konkuk University
Curated by ChEMBL
| Assay Description Inhibition of JAK3 (unknown origin) |
J Med Chem 58: 7596-602 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01263 BindingDB Entry DOI: 10.7270/Q2H70HND |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50109821
(CHEBI:87103 | CHEMBL21156 | US10981896, Compound 4...)Show SMILES CC(C)(C)c1nc2c([nH]1)c1cc[nH]c(=O)c1c1cc(F)ccc21 Show InChI InChI=1S/C18H16FN3O/c1-18(2,3)17-21-14-10-5-4-9(19)8-12(10)13-11(15(14)22-17)6-7-20-16(13)23/h4-8H,1-3H3,(H,20,23)(H,21,22) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Konkuk University
Curated by ChEMBL
| Assay Description Inhibition of JAK2 (unknown origin) using 35 uM of ATP and Tyr6 peptide by Z'-LYTE kinase assay |
J Med Chem 58: 7596-602 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01263 BindingDB Entry DOI: 10.7270/Q2H70HND |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Amine oxidase [flavin-containing] B
(Homo sapiens (Human)) | BDBM15579
(CHEMBL972 | DEPRENYL | L-Deprenyl | N-methyl-N-[(2...)Show InChI InChI=1S/C13H17N/c1-4-10-14(3)12(2)11-13-8-6-5-7-9-13/h1,5-9,12H,10-11H2,2-3H3/t12-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE KEGG PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Konkuk University
Curated by ChEMBL
| Assay Description Inhibition of human recombinant MAO-B expressed in insect cells by Amplex Red assay |
Bioorg Med Chem 21: 7890-7 (2013)
Article DOI: 10.1016/j.bmc.2013.10.004 BindingDB Entry DOI: 10.7270/Q29W0JDC |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM5447
(CHEMBL939 | GEFITINIB | Iressa | N-(3-Chloro-4-flu...)Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1 Show InChI InChI=1S/C22H24ClFN4O3/c1-29-20-13-19-16(12-21(20)31-8-2-5-28-6-9-30-10-7-28)22(26-14-25-19)27-15-3-4-18(24)17(23)11-15/h3-4,11-14H,2,5-10H2,1H3,(H,25,26,27) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank MMDB PDB Article PubMed
| n/a | n/a | 2.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Beijing Normal University
Curated by ChEMBL
| Assay Description Inhibition of recombinant human His-tagged EGFR (1 to 645 residues) expressed in HEK293 cells using Tyr66-biotinylated PTP1B peptide as substrate pre... |
Eur J Med Chem 138: 669-688 (2017)
Article DOI: 10.1016/j.ejmech.2017.07.005 BindingDB Entry DOI: 10.7270/Q28918D8 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM50021655
(DECERNOTINIB | US10112907, Example 00017 | US10766...)Show SMILES CC[C@@](C)(Nc1ccnc(n1)-c1c[nH]c2ncccc12)C(=O)NCC(F)(F)F |r| Show InChI InChI=1S/C18H19F3N6O/c1-3-17(2,16(28)25-10-18(19,20)21)27-13-6-8-23-15(26-13)12-9-24-14-11(12)5-4-7-22-14/h4-9H,3,10H2,1-2H3,(H,22,24)(H,25,28)(H,23,26,27)/t17-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | 2.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Konkuk University
Curated by ChEMBL
| Assay Description Inhibition of JAK3 (unknown origin) |
J Med Chem 58: 7596-602 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01263 BindingDB Entry DOI: 10.7270/Q2H70HND |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50193995
(3-((3R,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyr...)Show SMILES C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r| Show InChI InChI=1S/C16H20N6O/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20)/t11-,13+/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 2.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Konkuk University
Curated by ChEMBL
| Assay Description Inhibition of JAK2 (unknown origin) |
Bioorg Med Chem 22: 1156-62 (2014)
Article DOI: 10.1016/j.bmc.2013.12.033 BindingDB Entry DOI: 10.7270/Q2PK0HND |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM50193995
(3-((3R,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyr...)Show SMILES C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r| Show InChI InChI=1S/C16H20N6O/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20)/t11-,13+/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 3.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Konkuk University
Curated by ChEMBL
| Assay Description Inhibition of JAK1 (unknown origin) |
Bioorg Med Chem 22: 1156-62 (2014)
Article DOI: 10.1016/j.bmc.2013.12.033 BindingDB Entry DOI: 10.7270/Q2PK0HND |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50276757
(CHEMBL4168235)Show SMILES COc1cc2c(Nc3ccc(cc3)C#N)ncnc2cc1OCCCN1CCC(CC1)c1ccccc1 Show InChI InChI=1S/C30H31N5O2/c1-36-28-18-26-27(32-21-33-30(26)34-25-10-8-22(20-31)9-11-25)19-29(28)37-17-5-14-35-15-12-24(13-16-35)23-6-3-2-4-7-23/h2-4,6-11,18-19,21,24H,5,12-17H2,1H3,(H,32,33,34) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Beijing Normal University
Curated by ChEMBL
| Assay Description Inhibition of recombinant human His-tagged EGFR (1 to 645 residues) expressed in HEK293 cells using Tyr66-biotinylated PTP1B peptide as substrate pre... |
Eur J Med Chem 138: 669-688 (2017)
Article DOI: 10.1016/j.ejmech.2017.07.005 BindingDB Entry DOI: 10.7270/Q28918D8 |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM50124208
(ASP-015K | ASP015K | Peficitinib)Show SMILES NC(=O)c1cnc2[nH]ccc2c1N[C@H]1[C@H]2CC3C[C@@H]1C[C@](O)(C3)C2 |r,TLB:17:16:23:13.18.19,THB:22:16:13:23.20.19| Show InChI InChI=1S/C18H22N4O2/c19-16(23)13-8-21-17-12(1-2-20-17)15(13)22-14-10-3-9-4-11(14)7-18(24,5-9)6-10/h1-2,8-11,14,24H,3-7H2,(H2,19,23)(H2,20,21,22)/t9?,10-,11+,14-,18- | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Konkuk University
Curated by ChEMBL
| Assay Description Inhibition of JAK1 (unknown origin) |
J Med Chem 58: 7596-602 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01263 BindingDB Entry DOI: 10.7270/Q2H70HND |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM50109821
(CHEBI:87103 | CHEMBL21156 | US10981896, Compound 4...)Show SMILES CC(C)(C)c1nc2c([nH]1)c1cc[nH]c(=O)c1c1cc(F)ccc21 Show InChI InChI=1S/C18H16FN3O/c1-18(2,3)17-21-14-10-5-4-9(19)8-12(10)13-11(15(14)22-17)6-7-20-16(13)23/h4-8H,1-3H3,(H,20,23)(H,21,22) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Konkuk University
Curated by ChEMBL
| Assay Description Inhibition of JAK1 (unknown origin) using 87 uM of ATP and Tyr6 peptide by Z'-LYTE kinase assay |
J Med Chem 58: 7596-602 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01263 BindingDB Entry DOI: 10.7270/Q2H70HND |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Non-receptor tyrosine-protein kinase TYK2
(Homo sapiens (Human)) | BDBM50124208
(ASP-015K | ASP015K | Peficitinib)Show SMILES NC(=O)c1cnc2[nH]ccc2c1N[C@H]1[C@H]2CC3C[C@@H]1C[C@](O)(C3)C2 |r,TLB:17:16:23:13.18.19,THB:22:16:13:23.20.19| Show InChI InChI=1S/C18H22N4O2/c19-16(23)13-8-21-17-12(1-2-20-17)15(13)22-14-10-3-9-4-11(14)7-18(24,5-9)6-10/h1-2,8-11,14,24H,3-7H2,(H2,19,23)(H2,20,21,22)/t9?,10-,11+,14-,18- | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 4.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Konkuk University
Curated by ChEMBL
| Assay Description Inhibition of Tyk2 (unknown origin) |
J Med Chem 58: 7596-602 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01263 BindingDB Entry DOI: 10.7270/Q2H70HND |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50124208
(ASP-015K | ASP015K | Peficitinib)Show SMILES NC(=O)c1cnc2[nH]ccc2c1N[C@H]1[C@H]2CC3C[C@@H]1C[C@](O)(C3)C2 |r,TLB:17:16:23:13.18.19,THB:22:16:13:23.20.19| Show InChI InChI=1S/C18H22N4O2/c19-16(23)13-8-21-17-12(1-2-20-17)15(13)22-14-10-3-9-4-11(14)7-18(24,5-9)6-10/h1-2,8-11,14,24H,3-7H2,(H2,19,23)(H2,20,21,22)/t9?,10-,11+,14-,18- | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Konkuk University
Curated by ChEMBL
| Assay Description Inhibition of JAK2 (unknown origin) |
J Med Chem 58: 7596-602 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01263 BindingDB Entry DOI: 10.7270/Q2H70HND |
More data for this Ligand-Target Pair | |
Non-receptor tyrosine-protein kinase TYK2
(Homo sapiens (Human)) | BDBM50109821
(CHEBI:87103 | CHEMBL21156 | US10981896, Compound 4...)Show SMILES CC(C)(C)c1nc2c([nH]1)c1cc[nH]c(=O)c1c1cc(F)ccc21 Show InChI InChI=1S/C18H16FN3O/c1-18(2,3)17-21-14-10-5-4-9(19)8-12(10)13-11(15(14)22-17)6-7-20-16(13)23/h4-8H,1-3H3,(H,20,23)(H,21,22) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank PC cid PC sid PDB UniChem
Similars
| DrugBank PDB Article PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Konkuk University
Curated by ChEMBL
| Assay Description Inhibition of Tyk2 (unknown origin) using 25 uM of ATP and Tyr3 peptide by Z'-LYTE kinase assay |
J Med Chem 58: 7596-602 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01263 BindingDB Entry DOI: 10.7270/Q2H70HND |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM50021656
(BARICITINIB | INCB-028050 | LY-3009104 | US1011290...)Show SMILES CCS(=O)(=O)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12 Show InChI InChI=1S/C16H17N7O2S/c1-2-26(24,25)22-9-16(10-22,4-5-17)23-8-12(7-21-23)14-13-3-6-18-15(13)20-11-19-14/h3,6-8,11H,2,4,9-10H2,1H3,(H,18,19,20) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Konkuk University
Curated by ChEMBL
| Assay Description Inhibition of JAK1 (unknown origin) |
J Med Chem 58: 7596-602 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01263 BindingDB Entry DOI: 10.7270/Q2H70HND |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50021656
(BARICITINIB | INCB-028050 | LY-3009104 | US1011290...)Show SMILES CCS(=O)(=O)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12 Show InChI InChI=1S/C16H17N7O2S/c1-2-26(24,25)22-9-16(10-22,4-5-17)23-8-12(7-21-23)14-13-3-6-18-15(13)20-11-19-14/h3,6-8,11H,2,4,9-10H2,1H3,(H,18,19,20) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Konkuk University
Curated by ChEMBL
| Assay Description Inhibition of JAK2 (unknown origin) |
J Med Chem 58: 7596-602 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01263 BindingDB Entry DOI: 10.7270/Q2H70HND |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Metabotropic glutamate receptor 1
(Homo sapiens (Human)) | BDBM50345949
(3-(4-Methoxy-phenyl)-9-prop-2-ynylamino-3H-pyrido[...)Show SMILES COc1ccc(cc1)-n1cnc2c(sc3nccc(NCC#C)c23)c1=O Show InChI InChI=1S/C19H14N4O2S/c1-3-9-20-14-8-10-21-18-15(14)16-17(26-18)19(24)23(11-22-16)12-4-6-13(25-2)7-5-12/h1,4-8,10-11H,9H2,2H3,(H,20,21) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 6.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Yonsei University
Curated by ChEMBL
| Assay Description Antagonist activity at mGluR1 (unknown origin) expressed in Chem-3 cells assessed as inhibition of glutamate-induced increased intracellular calcium ... |
Eur J Med Chem 85: 629-37 (2014)
Article DOI: 10.1016/j.ejmech.2014.08.027 BindingDB Entry DOI: 10.7270/Q2B56MDJ |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM50109821
(CHEBI:87103 | CHEMBL21156 | US10981896, Compound 4...)Show SMILES CC(C)(C)c1nc2c([nH]1)c1cc[nH]c(=O)c1c1cc(F)ccc21 Show InChI InChI=1S/C18H16FN3O/c1-18(2,3)17-21-14-10-5-4-9(19)8-12(10)13-11(15(14)22-17)6-7-20-16(13)23/h4-8H,1-3H3,(H,20,23)(H,21,22) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Konkuk University
Curated by ChEMBL
| Assay Description Inhibition of JAK3 (unknown origin) using 16 uM of ATP and Tyr6 peptide by Z'-LYTE kinase assay |
J Med Chem 58: 7596-602 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01263 BindingDB Entry DOI: 10.7270/Q2H70HND |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM103727
(US10112907, Example 00033 | US10206907, Compound 2...)Show SMILES O=C(Nc1nc2cccc(-c3ccc(CN4CCS(=O)(=O)CC4)cc3)n2n1)C1CC1 Show InChI InChI=1S/C21H23N5O3S/c27-20(17-8-9-17)23-21-22-19-3-1-2-18(26(19)24-21)16-6-4-15(5-7-16)14-25-10-12-30(28,29)13-11-25/h1-7,17H,8-14H2,(H,23,24,27) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Konkuk University
Curated by ChEMBL
| Assay Description Inhibition of JAK1 (unknown origin) |
J Med Chem 58: 7596-602 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01263 BindingDB Entry DOI: 10.7270/Q2H70HND |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM50193995
(3-((3R,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyr...)Show SMILES C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r| Show InChI InChI=1S/C16H20N6O/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20)/t11-,13+/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Konkuk University
Curated by ChEMBL
| Assay Description Inhibition of JAK3 (unknown origin) |
Bioorg Med Chem 22: 1156-62 (2014)
Article DOI: 10.1016/j.bmc.2013.12.033 BindingDB Entry DOI: 10.7270/Q2PK0HND |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM50021655
(DECERNOTINIB | US10112907, Example 00017 | US10766...)Show SMILES CC[C@@](C)(Nc1ccnc(n1)-c1c[nH]c2ncccc12)C(=O)NCC(F)(F)F |r| Show InChI InChI=1S/C18H19F3N6O/c1-3-17(2,16(28)25-10-18(19,20)21)27-13-6-8-23-15(26-13)12-9-24-14-11(12)5-4-7-22-14/h4-9H,3,10H2,1-2H3,(H,22,24)(H,25,28)(H,23,26,27)/t17-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Konkuk University
Curated by ChEMBL
| Assay Description Inhibition of JAK1 (unknown origin) |
J Med Chem 58: 7596-602 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01263 BindingDB Entry DOI: 10.7270/Q2H70HND |
More data for this Ligand-Target Pair | |
Non-receptor tyrosine-protein kinase TYK2
(Homo sapiens (Human)) | BDBM50021655
(DECERNOTINIB | US10112907, Example 00017 | US10766...)Show SMILES CC[C@@](C)(Nc1ccnc(n1)-c1c[nH]c2ncccc12)C(=O)NCC(F)(F)F |r| Show InChI InChI=1S/C18H19F3N6O/c1-3-17(2,16(28)25-10-18(19,20)21)27-13-6-8-23-15(26-13)12-9-24-14-11(12)5-4-7-22-14/h4-9H,3,10H2,1-2H3,(H,22,24)(H,25,28)(H,23,26,27)/t17-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Konkuk University
Curated by ChEMBL
| Assay Description Inhibition of Tyk2 (unknown origin) |
J Med Chem 58: 7596-602 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01263 BindingDB Entry DOI: 10.7270/Q2H70HND |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50021655
(DECERNOTINIB | US10112907, Example 00017 | US10766...)Show SMILES CC[C@@](C)(Nc1ccnc(n1)-c1c[nH]c2ncccc12)C(=O)NCC(F)(F)F |r| Show InChI InChI=1S/C18H19F3N6O/c1-3-17(2,16(28)25-10-18(19,20)21)27-13-6-8-23-15(26-13)12-9-24-14-11(12)5-4-7-22-14/h4-9H,3,10H2,1-2H3,(H,22,24)(H,25,28)(H,23,26,27)/t17-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Konkuk University
Curated by ChEMBL
| Assay Description Inhibition of JAK2 (unknown origin) |
J Med Chem 58: 7596-602 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01263 BindingDB Entry DOI: 10.7270/Q2H70HND |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Androgen receptor
(Homo sapiens (Human)) | BDBM50570254
(CHEMBL4865865)Show SMILES CN1CCC(CC1)Oc1ccc(cc1)N1C(=S)N(C(=O)C11CCC1)c1cnc(C#N)c(c1)C(F)(F)F | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Displacement of [3H]methyltrienolone from wild-type androgen receptor in human LNCaP cells incubated for 24 hrs by scintillation counting analysis |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01563 BindingDB Entry DOI: 10.7270/Q29027KP |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM103727
(US10112907, Example 00033 | US10206907, Compound 2...)Show SMILES O=C(Nc1nc2cccc(-c3ccc(CN4CCS(=O)(=O)CC4)cc3)n2n1)C1CC1 Show InChI InChI=1S/C21H23N5O3S/c27-20(17-8-9-17)23-21-22-19-3-1-2-18(26(19)24-21)16-6-4-15(5-7-16)14-25-10-12-30(28,29)13-11-25/h1-7,17H,8-14H2,(H,23,24,27) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Konkuk University
Curated by ChEMBL
| Assay Description Inhibition of JAK2 (unknown origin) |
J Med Chem 58: 7596-602 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01263 BindingDB Entry DOI: 10.7270/Q2H70HND |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Androgen receptor
(Homo sapiens (Human)) | BDBM493530
(5-[5-oxo-8-[6-(4-piperidyloxy)- 3-pyridyl]-7-thiox...)Show SMILES FC(F)(F)c1cc(cnc1C#N)N1C(=S)N(c2ccc(OC3CCNCC3)nc2)C2(CCC2)C1=O Show InChI InChI=1S/C23H21F3N6O2S/c24-23(25,26)17-10-15(13-29-18(17)11-27)31-20(33)22(6-1-7-22)32(21(31)35)14-2-3-19(30-12-14)34-16-4-8-28-9-5-16/h2-3,10,12-13,16,28H,1,4-9H2 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 37 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Antagonist activity at AR F877L mutant (unknown origin) transfected in human LNCAP cells cotransfected with ARE-LUC incubated for 20 to 24 hrs in pre... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01563 BindingDB Entry DOI: 10.7270/Q29027KP |
More data for this Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50570257
(CHEMBL4862827)Show SMILES Clc1cc(cnc1C#N)N1C(=S)N(c2ccc(OC3CCNCC3)cc2)C2(CCC2)C1=O | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 37 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Antagonist activity at AR F877L mutant (unknown origin) transfected in human LNCAP cells cotransfected with ARE-LUC incubated for 20 to 24 hrs in pre... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01563 BindingDB Entry DOI: 10.7270/Q29027KP |
More data for this Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50425732
(ENZALUTAMIDE | US10053433, FC 4.129 | US10806720, ...)Show SMILES CNC(=O)c1ccc(cc1F)N1C(=S)N(C(=O)C1(C)C)c1ccc(C#N)c(c1)C(F)(F)F Show InChI InChI=1S/C21H16F4N4O2S/c1-20(2)18(31)28(12-5-4-11(10-26)15(8-12)21(23,24)25)19(32)29(20)13-6-7-14(16(22)9-13)17(30)27-3/h4-9H,1-3H3,(H,27,30) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
DrugBank MCE PC cid PC sid UniChem
Similars
| DrugBank Article PubMed
| n/a | n/a | 38 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Displacement of [3H]methyltrienolone from wild-type androgen receptor in human LNCaP cells incubated for 24 hrs by scintillation counting analysis |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01563 BindingDB Entry DOI: 10.7270/Q29027KP |
More data for this Ligand-Target Pair | |
Metabotropic glutamate receptor 1
(Homo sapiens (Human)) | BDBM50058042
(CHEMBL3330823)Show InChI InChI=1S/C20H16N2O2S/c1-13-5-3-4-6-16(13)17-11-25-19-18(17)21-12-22(20(19)23)14-7-9-15(24-2)10-8-14/h3-12H,1-2H3 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 45 | n/a | n/a | n/a | n/a | n/a | n/a |
Yonsei University
Curated by ChEMBL
| Assay Description Antagonist activity at mGluR1 (unknown origin) expressed in Chem-3 cells assessed as inhibition of glutamate-induced increased intracellular calcium ... |
Eur J Med Chem 85: 629-37 (2014)
Article DOI: 10.1016/j.ejmech.2014.08.027 BindingDB Entry DOI: 10.7270/Q2B56MDJ |
More data for this Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50570263
(CHEMBL4849570)Show SMILES Clc1cc(cnc1C#N)N1C(=S)N(c2ccc(OC3CCNCC3)nc2)C2(CCC2)C1=O | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 47 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Antagonist activity at AR F877L mutant (unknown origin) transfected in human LNCAP cells cotransfected with ARE-LUC incubated for 20 to 24 hrs in pre... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01563 BindingDB Entry DOI: 10.7270/Q29027KP |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM50124147
(CHEMBL3622826)Show InChI InChI=1S/C15H21N5O/c16-5-8-20-13-2-1-11(14(17)21)9-12(13)19-15(20)10-3-6-18-7-4-10/h1-2,9-10,18H,3-8,16H2,(H2,17,21) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
Konkuk University
Curated by ChEMBL
| Assay Description Inhibition of JAK1 (unknown origin) using 87 uM of ATP and Tyr6 peptide by Z'-LYTE kinase assay |
J Med Chem 58: 7596-602 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01263 BindingDB Entry DOI: 10.7270/Q2H70HND |
More data for this Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50570263
(CHEMBL4849570)Show SMILES Clc1cc(cnc1C#N)N1C(=S)N(c2ccc(OC3CCNCC3)nc2)C2(CCC2)C1=O | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Antagonist activity at AR wild-type (unknown origin) transfected in human LNCAP cells cotransfected with ARE-LUC incubated for 20 to 24 hrs in presen... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01563 BindingDB Entry DOI: 10.7270/Q29027KP |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase JAK1
(Mus musculus) | BDBM50124147
(CHEMBL3622826)Show InChI InChI=1S/C15H21N5O/c16-5-8-20-13-2-1-11(14(17)21)9-12(13)19-15(20)10-3-6-18-7-4-10/h1-2,9-10,18H,3-8,16H2,(H2,17,21) | PDB MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
Konkuk University
Curated by ChEMBL
| Assay Description Inhibition of FLAG-tagged mouse JAK1 expressed in insect Sf9 cells using biotin-EQEDEPEGDYFEWLE-NH2 as substrate by HTRF assay |
Bioorg Med Chem Lett 26: 3213-3215 (2016)
Article DOI: 10.1016/j.bmcl.2016.05.078 BindingDB Entry DOI: 10.7270/Q2K64M0X |
More data for this Ligand-Target Pair | |