Found 296 hits with Last Name = 'wang' and Initial = 'zj' 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 |
|---|
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50000296
(CHEMBL441765 | CHEMBL482811 | U-50488H | US1149237...)Show SMILES CN([C@@H]1CCCC[C@H]1N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C19H26Cl2N2O/c1-22(19(24)13-14-8-9-15(20)16(21)12-14)17-6-2-3-7-18(17)23-10-4-5-11-23/h8-9,12,17-18H,2-7,10-11,13H2,1H3/t17-,18-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| Purchase
CHEMBL
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM21015
((2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl...)Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCCO Show InChI InChI=1S/C26H35N5O6/c1-17(30-25(36)21(27)14-19-8-10-20(33)11-9-19)24(35)29-16-23(34)31(2)22(26(37)28-12-13-32)15-18-6-4-3-5-7-18/h3-11,17,21-22,32-33H,12-16,27H2,1-2H3,(H,28,37)(H,29,35)(H,30,36)/t17-,21+,22+/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
KEGG
PC cid
PC sid
UniChem
Similars
| | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | CHEMBL5290432
| PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
UniChem
| | 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | CHEMBL5288483
| PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
UniChem
| | 49 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | CHEMBL5288483
| PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
UniChem
| | 54 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | CHEMBL5280172
| PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
UniChem
| | 100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | CHEMBL5291340
| PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
UniChem
| | 120 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | CHEMBL5276128
| PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
UniChem
| | 220 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50568638
(CHEMBL4871880)Show SMILES [H][C@@]12C[C@@]3([H])C(CN1CC[C@@]14c5cc(O)ccc5N(C)[C@@]21OC[C@]34C(=O)OC)=CC |r,TLB:28:5:2:10.20.23,11:10:2:7.5.6,21:20:2:7.5.6,18:20:2:7.5.6,22:23:2:7.5.6,THB:6:7:20:2.23.3,24:23:2:7.5.6,8:7:2:10.20.23,9:10:2:7.5.6| | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | 300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | CHEMBL5291340
| PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
UniChem
| | 330 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50568639
(CHEMBL4846243)Show SMILES [H][C@@]12C[C@@]3([H])C(CN1CC[C@@]14c5ccccc5N(C)[C@@]21OC[C@]34C(=O)OC)=CC |r,TLB:27:5:2:10.19.22,11:10:2:7.5.6,20:19:2:7.5.6,21:22:2:7.5.6,17:19:2:7.5.6,THB:6:7:19:2.22.3,23:22:2:7.5.6,8:7:2:10.19.22,9:10:2:7.5.6| | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | 330 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | CHEMBL5276128
| PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
UniChem
| | 580 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | CHEMBL5290432
| PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
UniChem
| | 580 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | CHEMBL5280172
| PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
UniChem
| | 1.17E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50568638
(CHEMBL4871880)Show SMILES [H][C@@]12C[C@@]3([H])C(CN1CC[C@@]14c5cc(O)ccc5N(C)[C@@]21OC[C@]34C(=O)OC)=CC |r,TLB:28:5:2:10.20.23,11:10:2:7.5.6,21:20:2:7.5.6,18:20:2:7.5.6,22:23:2:7.5.6,THB:6:7:20:2.23.3,24:23:2:7.5.6,8:7:2:10.20.23,9:10:2:7.5.6| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | 1.67E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50568639
(CHEMBL4846243)Show SMILES [H][C@@]12C[C@@]3([H])C(CN1CC[C@@]14c5ccccc5N(C)[C@@]21OC[C@]34C(=O)OC)=CC |r,TLB:27:5:2:10.19.22,11:10:2:7.5.6,20:19:2:7.5.6,21:22:2:7.5.6,17:19:2:7.5.6,THB:6:7:19:2.22.3,23:22:2:7.5.6,8:7:2:10.19.22,9:10:2:7.5.6| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | 2.25E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
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 | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of human JAK2 using TK-substrate-biotin preincubated for 5 mins followed by substrate addition and further incubated for 30 mins and subse... |
Bioorg Med Chem 27: 1646-1657 (2019)
Article DOI: 10.1016/j.bmc.2019.03.009
BindingDB Entry DOI: 10.7270/Q2PC35WG |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
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 | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of human JAK3 using TK-substrate-biotin preincubated for 5 mins followed by substrate addition and further incubated for 30 mins and subse... |
Bioorg Med Chem 27: 1646-1657 (2019)
Article DOI: 10.1016/j.bmc.2019.03.009
BindingDB Entry DOI: 10.7270/Q2PC35WG |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM50537422
(CHEMBL4584430)Show SMILES CCC(=O)N1CCC(CC1)c1ccc(Nc2cc(NCc3cccc(c3)-c3ccncc3)c(cn2)C(N)=O)cc1 Show InChI InChI=1S/C32H34N6O2/c1-2-31(39)38-16-12-25(13-17-38)23-6-8-27(9-7-23)37-30-19-29(28(21-36-30)32(33)40)35-20-22-4-3-5-26(18-22)24-10-14-34-15-11-24/h3-11,14-15,18-19,21,25H,2,12-13,16-17,20H2,1H3,(H2,33,40)(H2,35,36,37) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of human GST-tagged JAK3 using FITC-KGGEEEEYFELVKK as substrate by fluorescence assay |
Bioorg Med Chem 27: 1646-1657 (2019)
Article DOI: 10.1016/j.bmc.2019.03.009
BindingDB Entry DOI: 10.7270/Q2PC35WG |
More data for this
Ligand-Target Pair | |
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 | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of human JAK1 using TK-substrate-biotin preincubated for 5 mins followed by substrate addition and further incubated for 30 mins and subse... |
Bioorg Med Chem 27: 1646-1657 (2019)
Article DOI: 10.1016/j.bmc.2019.03.009
BindingDB Entry DOI: 10.7270/Q2PC35WG |
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 | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human GST-tagged JAK1 catalytic domain (866 to 1154 residues) expressed in baculovirus expression system using TK-substrate... |
Bioorg Med Chem 26: 4774-4786 (2018)
Article DOI: 10.1016/j.bmc.2018.04.005
BindingDB Entry DOI: 10.7270/Q26Q20XK |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM50109518
(CHEMBL3601722)Show SMILES CN1CCN(CC1)c1ccc(Nc2cc(NCc3cccc(NC(=O)C=C)c3)ncn2)cc1 Show InChI InChI=1S/C25H29N7O/c1-3-25(33)30-21-6-4-5-19(15-21)17-26-23-16-24(28-18-27-23)29-20-7-9-22(10-8-20)32-13-11-31(2)12-14-32/h3-10,15-16,18H,1,11-14,17H2,2H3,(H,30,33)(H2,26,27,28,29) | 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 | 2.10 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of human JAK3 using TK-substrate-biotin preincubated for 5 mins followed by substrate addition and further incubated for 30 mins and subse... |
Bioorg Med Chem 27: 1646-1657 (2019)
Article DOI: 10.1016/j.bmc.2019.03.009
BindingDB Entry DOI: 10.7270/Q2PC35WG |
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 | 2.10 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human GST-tagged JAK3 catalytic domain expressed in baculovirus expression system using TK-substrate-biotin preincubated fo... |
Bioorg Med Chem 26: 4774-4786 (2018)
Article DOI: 10.1016/j.bmc.2018.04.005
BindingDB Entry DOI: 10.7270/Q26Q20XK |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM50537427
(CHEMBL4573218)Show SMILES C=CC(=O)Nc1cccc(CNc2cc(Nc3ccc(cc3)N3CCOCC3)ncn2)c1 Show InChI InChI=1S/C24H26N6O2/c1-2-24(31)29-20-5-3-4-18(14-20)16-25-22-15-23(27-17-26-22)28-19-6-8-21(9-7-19)30-10-12-32-13-11-30/h2-9,14-15,17H,1,10-13,16H2,(H,29,31)(H2,25,26,27,28) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.40 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of human JAK3 using TK-substrate-biotin preincubated for 5 mins followed by substrate addition and further incubated for 30 mins and subse... |
Bioorg Med Chem 27: 1646-1657 (2019)
Article DOI: 10.1016/j.bmc.2019.03.009
BindingDB Entry DOI: 10.7270/Q2PC35WG |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM50537444
(CHEMBL4546009)Show SMILES CN1CCN(CC1)c1ccc(Nc2cc(NCc3cccc(NC(=O)CC#N)c3)ncn2)cc1 Show InChI InChI=1S/C25H28N8O/c1-32-11-13-33(14-12-32)22-7-5-20(6-8-22)30-24-16-23(28-18-29-24)27-17-19-3-2-4-21(15-19)31-25(34)9-10-26/h2-8,15-16,18H,9,11-14,17H2,1H3,(H,31,34)(H2,27,28,29,30) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.5 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of human JAK3 using TK-substrate-biotin preincubated for 5 mins followed by substrate addition and further incubated for 30 mins and subse... |
Bioorg Med Chem 27: 1646-1657 (2019)
Article DOI: 10.1016/j.bmc.2019.03.009
BindingDB Entry DOI: 10.7270/Q2PC35WG |
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
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B.MOAD
DrugBank
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| Purchase
CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | 4.30 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human GST-tagged JAK2 catalytic domain expressed in baculovirus expression system using TK-substrate-biotin preincubated fo... |
Bioorg Med Chem 26: 4774-4786 (2018)
Article DOI: 10.1016/j.bmc.2018.04.005
BindingDB Entry DOI: 10.7270/Q26Q20XK |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM50537417
(CHEMBL4518786)Show SMILES O=C(CC#N)Nc1ccc(CNc2cc(Nc3ccc(cc3)N3CCOCC3)ncn2)cc1 Show InChI InChI=1S/C24H25N7O2/c25-10-9-24(32)30-20-3-1-18(2-4-20)16-26-22-15-23(28-17-27-22)29-19-5-7-21(8-6-19)31-11-13-33-14-12-31/h1-8,15,17H,9,11-14,16H2,(H,30,32)(H2,26,27,28,29) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.80 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of human JAK3 using TK-substrate-biotin preincubated for 5 mins followed by substrate addition and further incubated for 30 mins and subse... |
Bioorg Med Chem 27: 1646-1657 (2019)
Article DOI: 10.1016/j.bmc.2019.03.009
BindingDB Entry DOI: 10.7270/Q2PC35WG |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM50463796
(CHEMBL4244148)Show SMILES Cn1cc(cn1)-c1nn(C2CCCN(C2)C(=O)C=C)c2ncnc(N)c12 Show InChI InChI=1S/C17H20N8O/c1-3-13(26)24-6-4-5-12(9-24)25-17-14(16(18)19-10-20-17)15(22-25)11-7-21-23(2)8-11/h3,7-8,10,12H,1,4-6,9H2,2H3,(H2,18,19,20) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6.20 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human GST-tagged JAK3 catalytic domain expressed in baculovirus expression system using TK-substrate-biotin preincubated fo... |
Bioorg Med Chem 26: 4774-4786 (2018)
Article DOI: 10.1016/j.bmc.2018.04.005
BindingDB Entry DOI: 10.7270/Q26Q20XK |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50248709
(CHEMBL4103517)Show SMILES COc1ccc(\C=C\C(=O)N[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2NC(=S)Nc2ccc(cc2)S(N)(=O)=O)c(OC)c1 |r| Show InChI InChI=1S/C24H30N4O9S2/c1-35-15-7-3-13(17(11-15)36-2)4-10-19(30)27-20-22(32)21(31)18(12-29)37-23(20)28-24(38)26-14-5-8-16(9-6-14)39(25,33)34/h3-11,18,20-23,29,31-32H,12H2,1-2H3,(H,27,30)(H2,25,33,34)(H2,26,28,38)/b10-4+/t18-,20-,21-,22-,23-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Shenyang Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human carbonic anhydrase 9 using 4-nitrophenylacetate as substrate pretreated for 15 mins prior to test by spectrophotometr... |
Eur J Med Chem 132: 1-10 (2017)
Article DOI: 10.1016/j.ejmech.2017.03.023
BindingDB Entry DOI: 10.7270/Q2WS8WNX |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM50537441
(CHEMBL4574614)Show SMILES COCCn1cc(Nc2cc(NCc3cccc(NC(=O)C=C)c3)ncn2)cn1 Show InChI InChI=1S/C20H23N7O2/c1-3-20(28)26-16-6-4-5-15(9-16)11-21-18-10-19(23-14-22-18)25-17-12-24-27(13-17)7-8-29-2/h3-6,9-10,12-14H,1,7-8,11H2,2H3,(H,26,28)(H2,21,22,23,25) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of human JAK3 using TK-substrate-biotin preincubated for 5 mins followed by substrate addition and further incubated for 30 mins and subse... |
Bioorg Med Chem 27: 1646-1657 (2019)
Article DOI: 10.1016/j.bmc.2019.03.009
BindingDB Entry DOI: 10.7270/Q2PC35WG |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM50537415
(CHEMBL4572373)Show SMILES OCCn1cc(Nc2cc(NCc3cccc(NC(=O)C=C)c3)ncn2)cn1 Show InChI InChI=1S/C19H21N7O2/c1-2-19(28)25-15-5-3-4-14(8-15)10-20-17-9-18(22-13-21-17)24-16-11-23-26(12-16)6-7-27/h2-5,8-9,11-13,27H,1,6-7,10H2,(H,25,28)(H2,20,21,22,24) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 7.20 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of human JAK3 using TK-substrate-biotin preincubated for 5 mins followed by substrate addition and further incubated for 30 mins and subse... |
Bioorg Med Chem 27: 1646-1657 (2019)
Article DOI: 10.1016/j.bmc.2019.03.009
BindingDB Entry DOI: 10.7270/Q2PC35WG |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM50537433
(CHEMBL4563864)Show SMILES COCCn1cc(Nc2cc(NCc3cccc(NC(=O)CC#N)c3)ncn2)cn1 Show InChI InChI=1S/C20H22N8O2/c1-30-8-7-28-13-17(12-25-28)26-19-10-18(23-14-24-19)22-11-15-3-2-4-16(9-15)27-20(29)5-6-21/h2-4,9-10,12-14H,5,7-8,11H2,1H3,(H,27,29)(H2,22,23,24,26) | PDB
Reactome pathway
KEGG
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B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 7.30 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of human JAK3 using TK-substrate-biotin preincubated for 5 mins followed by substrate addition and further incubated for 30 mins and subse... |
Bioorg Med Chem 27: 1646-1657 (2019)
Article DOI: 10.1016/j.bmc.2019.03.009
BindingDB Entry DOI: 10.7270/Q2PC35WG |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM50537442
(CHEMBL4577029)Show SMILES CN1CCN(CC1)c1ccc(Nc2cc(NCc3ccc(NC(=O)C=C)cc3)ncn2)cc1 Show InChI InChI=1S/C25H29N7O/c1-3-25(33)30-21-6-4-19(5-7-21)17-26-23-16-24(28-18-27-23)29-20-8-10-22(11-9-20)32-14-12-31(2)13-15-32/h3-11,16,18H,1,12-15,17H2,2H3,(H,30,33)(H2,26,27,28,29) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 7.90 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of human JAK3 using TK-substrate-biotin preincubated for 5 mins followed by substrate addition and further incubated for 30 mins and subse... |
Bioorg Med Chem 27: 1646-1657 (2019)
Article DOI: 10.1016/j.bmc.2019.03.009
BindingDB Entry DOI: 10.7270/Q2PC35WG |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM50537421
(CHEMBL4566849)Show SMILES C=CC(=O)Nc1ccc(CNc2cc(Nc3ccc(cc3)N3CCOCC3)ncn2)cc1 Show InChI InChI=1S/C24H26N6O2/c1-2-24(31)29-20-5-3-18(4-6-20)16-25-22-15-23(27-17-26-22)28-19-7-9-21(10-8-19)30-11-13-32-14-12-30/h2-10,15,17H,1,11-14,16H2,(H,29,31)(H2,25,26,27,28) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 8.40 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of human JAK3 using TK-substrate-biotin preincubated for 5 mins followed by substrate addition and further incubated for 30 mins and subse... |
Bioorg Med Chem 27: 1646-1657 (2019)
Article DOI: 10.1016/j.bmc.2019.03.009
BindingDB Entry DOI: 10.7270/Q2PC35WG |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM50537426
(CHEMBL4593058)Show SMILES COCCn1cc(Nc2cc(NCc3ccc(NC(=O)C=C)cc3)ncn2)cn1 Show InChI InChI=1S/C20H23N7O2/c1-3-20(28)26-16-6-4-15(5-7-16)11-21-18-10-19(23-14-22-18)25-17-12-24-27(13-17)8-9-29-2/h3-7,10,12-14H,1,8-9,11H2,2H3,(H,26,28)(H2,21,22,23,25) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 9.30 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of human JAK3 using TK-substrate-biotin preincubated for 5 mins followed by substrate addition and further incubated for 30 mins and subse... |
Bioorg Med Chem 27: 1646-1657 (2019)
Article DOI: 10.1016/j.bmc.2019.03.009
BindingDB Entry DOI: 10.7270/Q2PC35WG |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM50537436
(CHEMBL4541547)Show SMILES OCCn1cc(Nc2cc(NCc3ccc(NC(=O)C=C)cc3)ncn2)cn1 Show InChI InChI=1S/C19H21N7O2/c1-2-19(28)25-15-5-3-14(4-6-15)10-20-17-9-18(22-13-21-17)24-16-11-23-26(12-16)7-8-27/h2-6,9,11-13,27H,1,7-8,10H2,(H,25,28)(H2,20,21,22,24) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 9.40 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of human JAK3 using TK-substrate-biotin preincubated for 5 mins followed by substrate addition and further incubated for 30 mins and subse... |
Bioorg Med Chem 27: 1646-1657 (2019)
Article DOI: 10.1016/j.bmc.2019.03.009
BindingDB Entry DOI: 10.7270/Q2PC35WG |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM50463800
(CHEMBL4249310)Show SMILES Cn1cc(cn1)-c1nn(C2CCN(C2)C(=O)C=C)c2ncnc(N)c12 Show InChI InChI=1S/C16H18N8O/c1-3-12(25)23-5-4-11(8-23)24-16-13(15(17)18-9-19-16)14(21-24)10-6-20-22(2)7-10/h3,6-7,9,11H,1,4-5,8H2,2H3,(H2,17,18,19) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 9.90 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human GST-tagged JAK3 catalytic domain expressed in baculovirus expression system using TK-substrate-biotin preincubated fo... |
Bioorg Med Chem 26: 4774-4786 (2018)
Article DOI: 10.1016/j.bmc.2018.04.005
BindingDB Entry DOI: 10.7270/Q26Q20XK |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM50537425
(CHEMBL4539137)Show InChI InChI=1S/C18H19N7O/c1-3-18(26)24-14-6-4-5-13(7-14)9-19-16-8-17(21-12-20-16)23-15-10-22-25(2)11-15/h3-8,10-12H,1,9H2,2H3,(H,24,26)(H2,19,20,21,23) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of human JAK3 using TK-substrate-biotin preincubated for 5 mins followed by substrate addition and further incubated for 30 mins and subse... |
Bioorg Med Chem 27: 1646-1657 (2019)
Article DOI: 10.1016/j.bmc.2019.03.009
BindingDB Entry DOI: 10.7270/Q2PC35WG |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM10880
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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DrugBank
antibodypedia
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| Purchase
CHEMBL
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PC cid
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PDB
UniChem
Patents
Similars
| DrugBank
MMDB
PDB
Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Shenyang Pharmaceutical University
Curated by ChEMBL
| Assay Description
Binding affinity towards HSV-1 thymidine kinase |
Eur J Med Chem 132: 1-10 (2017)
Article DOI: 10.1016/j.ejmech.2017.03.023
BindingDB Entry DOI: 10.7270/Q2WS8WNX |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM50463792
(CHEMBL4245422)Show SMILES COCCn1cc(cn1)-c1nn(C2CCN(C2)C(=O)C=C)c2ncnc(N)c12 Show InChI InChI=1S/C18H22N8O2/c1-3-14(27)24-5-4-13(10-24)26-18-15(17(19)20-11-21-18)16(23-26)12-8-22-25(9-12)6-7-28-2/h3,8-9,11,13H,1,4-7,10H2,2H3,(H2,19,20,21) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human GST-tagged JAK3 catalytic domain expressed in baculovirus expression system using TK-substrate-biotin preincubated fo... |
Bioorg Med Chem 26: 4774-4786 (2018)
Article DOI: 10.1016/j.bmc.2018.04.005
BindingDB Entry DOI: 10.7270/Q26Q20XK |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM50463799
(CHEMBL4241272)Show SMILES Cn1cc(cn1)-c1nn(CC2CCCN(C2)C(=O)C=C)c2ncnc(N)c12 Show InChI InChI=1S/C18H22N8O/c1-3-14(27)25-6-4-5-12(8-25)9-26-18-15(17(19)20-11-21-18)16(23-26)13-7-22-24(2)10-13/h3,7,10-12H,1,4-6,8-9H2,2H3,(H2,19,20,21) | PDB
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 |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human GST-tagged JAK3 catalytic domain expressed in baculovirus expression system using TK-substrate-biotin preincubated fo... |
Bioorg Med Chem 26: 4774-4786 (2018)
Article DOI: 10.1016/j.bmc.2018.04.005
BindingDB Entry DOI: 10.7270/Q26Q20XK |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM50463801
(CHEMBL4249492)Show SMILES COCCn1cc(cn1)-c1nn(C2CCCN(C2)C(=O)C=C)c2ncnc(N)c12 Show InChI InChI=1S/C19H24N8O2/c1-3-15(28)25-6-4-5-14(11-25)27-19-16(18(20)21-12-22-19)17(24-27)13-9-23-26(10-13)7-8-29-2/h3,9-10,12,14H,1,4-8,11H2,2H3,(H2,20,21,22) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human GST-tagged JAK3 catalytic domain expressed in baculovirus expression system using TK-substrate-biotin preincubated fo... |
Bioorg Med Chem 26: 4774-4786 (2018)
Article DOI: 10.1016/j.bmc.2018.04.005
BindingDB Entry DOI: 10.7270/Q26Q20XK |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM50537418
(CHEMBL4526018)Show InChI InChI=1S/C18H19N7O/c1-3-18(26)24-14-6-4-13(5-7-14)9-19-16-8-17(21-12-20-16)23-15-10-22-25(2)11-15/h3-8,10-12H,1,9H2,2H3,(H,24,26)(H2,19,20,21,23) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of human JAK3 using TK-substrate-biotin preincubated for 5 mins followed by substrate addition and further incubated for 30 mins and subse... |
Bioorg Med Chem 27: 1646-1657 (2019)
Article DOI: 10.1016/j.bmc.2019.03.009
BindingDB Entry DOI: 10.7270/Q2PC35WG |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50248709
(CHEMBL4103517)Show SMILES COc1ccc(\C=C\C(=O)N[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2NC(=S)Nc2ccc(cc2)S(N)(=O)=O)c(OC)c1 |r| Show InChI InChI=1S/C24H30N4O9S2/c1-35-15-7-3-13(17(11-15)36-2)4-10-19(30)27-20-22(32)21(31)18(12-29)37-23(20)28-24(38)26-14-5-8-16(9-6-14)39(25,33)34/h3-11,18,20-23,29,31-32H,12H2,1-2H3,(H,27,30)(H2,25,33,34)(H2,26,28,38)/b10-4+/t18-,20-,21-,22-,23-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Shenyang Pharmaceutical University
Curated by ChEMBL
| Assay Description
Binding affinity towards HSV-1 thymidine kinase |
Eur J Med Chem 132: 1-10 (2017)
Article DOI: 10.1016/j.ejmech.2017.03.023
BindingDB Entry DOI: 10.7270/Q2WS8WNX |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM10880
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
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B.MOAD
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| Purchase
CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Shenyang Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human carbonic anhydrase 9 using 4-nitrophenylacetate as substrate pretreated for 15 mins prior to test by spectrophotometr... |
Eur J Med Chem 132: 1-10 (2017)
Article DOI: 10.1016/j.ejmech.2017.03.023
BindingDB Entry DOI: 10.7270/Q2WS8WNX |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM50463795
(CHEMBL4248202)Show SMILES Cn1cc(cn1)-c1nn(C2CCCN(C2)C(=O)CC#N)c2ncnc(N)c12 Show InChI InChI=1S/C17H19N9O/c1-24-8-11(7-22-24)15-14-16(19)20-10-21-17(14)26(23-15)12-3-2-6-25(9-12)13(27)4-5-18/h7-8,10,12H,2-4,6,9H2,1H3,(H2,19,20,21) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human GST-tagged JAK3 catalytic domain expressed in baculovirus expression system using TK-substrate-biotin preincubated fo... |
Bioorg Med Chem 26: 4774-4786 (2018)
Article DOI: 10.1016/j.bmc.2018.04.005
BindingDB Entry DOI: 10.7270/Q26Q20XK |
More data for this
Ligand-Target Pair | |
Non-receptor tyrosine-protein kinase TYK2
(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
KEGG
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CHEMBL
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MCE
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PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
PDB
Article
PubMed
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of human TYK2 using TK-substrate-biotin preincubated for 5 mins followed by substrate addition and further incubated for 30 mins and subse... |
Bioorg Med Chem 27: 1646-1657 (2019)
Article DOI: 10.1016/j.bmc.2019.03.009
BindingDB Entry DOI: 10.7270/Q2PC35WG |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM209866
(PF-06651600 | US11111242, Example 5 | US2023034848...)Show SMILES C[C@H]1CC[C@H](CN1C(=O)C=C)Nc1ncnc2[nH]ccc12 |r| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 33 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of JAK3 (unknown origin) |
Bioorg Med Chem 27: 1646-1657 (2019)
Article DOI: 10.1016/j.bmc.2019.03.009
BindingDB Entry DOI: 10.7270/Q2PC35WG |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50248718
(CHEMBL4075252)Show SMILES COc1cccc(\C=C\C(=O)N[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2NC(=S)Nc2ccc(cc2)S(N)(=O)=O)c1OC |r| Show InChI InChI=1S/C24H30N4O9S2/c1-35-16-5-3-4-13(22(16)36-2)6-11-18(30)27-19-21(32)20(31)17(12-29)37-23(19)28-24(38)26-14-7-9-15(10-8-14)39(25,33)34/h3-11,17,19-21,23,29,31-32H,12H2,1-2H3,(H,27,30)(H2,25,33,34)(H2,26,28,38)/b11-6+/t17-,19-,20-,21-,23-/m1/s1 | 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 | 33 | n/a | n/a | n/a | n/a | n/a | n/a |
Shenyang Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human carbonic anhydrase 9 using 4-nitrophenylacetate as substrate pretreated for 15 mins prior to test by spectrophotometr... |
Eur J Med Chem 132: 1-10 (2017)
Article DOI: 10.1016/j.ejmech.2017.03.023
BindingDB Entry DOI: 10.7270/Q2WS8WNX |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50248718
(CHEMBL4075252)Show SMILES COc1cccc(\C=C\C(=O)N[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2NC(=S)Nc2ccc(cc2)S(N)(=O)=O)c1OC |r| Show InChI InChI=1S/C24H30N4O9S2/c1-35-16-5-3-4-13(22(16)36-2)6-11-18(30)27-19-21(32)20(31)17(12-29)37-23(19)28-24(38)26-14-7-9-15(10-8-14)39(25,33)34/h3-11,17,19-21,23,29,31-32H,12H2,1-2H3,(H,27,30)(H2,25,33,34)(H2,26,28,38)/b11-6+/t17-,19-,20-,21-,23-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 34 | n/a | n/a | n/a | n/a | n/a | n/a |
Shenyang Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human carbonic anhydrase 2 using 4-nitrophenylacetate as substrate pretreated for 15 mins prior to test by spectrophotometr... |
Eur J Med Chem 132: 1-10 (2017)
Article DOI: 10.1016/j.ejmech.2017.03.023
BindingDB Entry DOI: 10.7270/Q2WS8WNX |
More data for this
Ligand-Target Pair | |
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