Found 475 hits with Last Name = 'zhong' and Initial = 'z' 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 |
|---|
Mitogen-activated protein kinase kinase kinase 14
(Homo sapiens (Human)) | BDBM312809
(1-[3-[2-[(3R)-3-hydroxy-1- methyl-2-oxo-pyrrolidin...)Show SMILES COc1ccc2c(nc(C(N)=O)n2c1)-c1cccc(c1)C#C[C@]1(O)CCN(C)C1=O |r| Show InChI InChI=1S/C22H20N4O4/c1-25-11-10-22(29,21(25)28)9-8-14-4-3-5-15(12-14)18-17-7-6-16(30-2)13-26(17)20(24-18)19(23)27/h3-7,12-13,29H,10-11H2,1-2H3,(H2,23,27)/t22-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.0500 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of NIK (unknown origin) expressed in baculovirus infected insect cells assessed as reduction in hydrolysis of ATP to ADP after 1 to 2 hrs ... |
J Med Chem 61: 6801-6813 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00678
BindingDB Entry DOI: 10.7270/Q2PV6P00 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 14
(Homo sapiens (Human)) | BDBM50457816
(CHEMBL4215425)Show SMILES CN1CC[C@@](O)(C#Cc2cccc(c2)-c2cc3ccccc3c(n2)C(N)=O)C1=O |r| Show InChI InChI=1S/C23H19N3O3/c1-26-12-11-23(29,22(26)28)10-9-15-5-4-7-17(13-15)19-14-16-6-2-3-8-18(16)20(25-19)21(24)27/h2-8,13-14,29H,11-12H2,1H3,(H2,24,27)/t23-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.0700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of NIK (unknown origin) expressed in baculovirus infected insect cells assessed as reduction in hydrolysis of ATP to ADP after 1 to 2 hrs ... |
J Med Chem 61: 6801-6813 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00678
BindingDB Entry DOI: 10.7270/Q2PV6P00 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 14
(Homo sapiens (Human)) | BDBM50457820
(CHEMBL4216289)Show SMILES CN1CC[C@@](O)(C#Cc2cccc(c2)-c2ccc(N)c(n2)C(N)=O)C1=O |r| Show InChI InChI=1S/C19H18N4O3/c1-23-10-9-19(26,18(23)25)8-7-12-3-2-4-13(11-12)15-6-5-14(20)16(22-15)17(21)24/h2-6,11,26H,9-10,20H2,1H3,(H2,21,24)/t19-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.0700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of NIK (unknown origin) expressed in baculovirus infected insect cells assessed as reduction in hydrolysis of ATP to ADP after 1 to 2 hrs ... |
J Med Chem 61: 6801-6813 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00678
BindingDB Entry DOI: 10.7270/Q2PV6P00 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 14
(Homo sapiens (Human)) | BDBM312763
(1-[4-[2-[(3R)-3-hydroxy-1- methyl-2-oxo-pyrrolidin...)Show SMILES CN1CC[C@@](O)(C#Cc2ccnc(c2)-n2nc(C(N)=O)c3ccccc23)C1=O |r| Show InChI InChI=1S/C20H17N5O3/c1-24-11-9-20(28,19(24)27)8-6-13-7-10-22-16(12-13)25-15-5-3-2-4-14(15)17(23-25)18(21)26/h2-5,7,10,12,28H,9,11H2,1H3,(H2,21,26)/t20-/m0/s1 | PDB
KEGG
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B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.0800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of NIK (unknown origin) expressed in baculovirus infected insect cells assessed as reduction in hydrolysis of ATP to ADP after 1 to 2 hrs ... |
J Med Chem 61: 6801-6813 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00678
BindingDB Entry DOI: 10.7270/Q2PV6P00 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 14
(Homo sapiens (Human)) | BDBM312785
(1-[3-[2-[(3R)-3-hydroxy-1- methyl-2-oxo-pyrrolidin...)Show SMILES COc1cnc2n(nc(C(N)=O)c2c1)-c1cccc(c1)C#C[C@]1(O)CCN(C)C1=O |r| Show InChI InChI=1S/C21H19N5O4/c1-25-9-8-21(29,20(25)28)7-6-13-4-3-5-14(10-13)26-19-16(17(24-26)18(22)27)11-15(30-2)12-23-19/h3-5,10-12,29H,8-9H2,1-2H3,(H2,22,27)/t21-/m0/s1 | PDB
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B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of NIK (unknown origin) expressed in baculovirus infected insect cells assessed as reduction in hydrolysis of ATP to ADP after 1 to 2 hrs ... |
J Med Chem 61: 6801-6813 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00678
BindingDB Entry DOI: 10.7270/Q2PV6P00 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 14
(Homo sapiens (Human)) | BDBM312765
(5-fluoro-1-[4-[2-[(3R)-3-hy- droxy-1-methyl-2-oxo-...)Show SMILES CN1CC[C@@](O)(C#Cc2ccnc(c2)-n2nc(C(N)=O)c3cc(F)ccc23)C1=O |r| Show InChI InChI=1S/C20H16FN5O3/c1-25-9-7-20(29,19(25)28)6-4-12-5-8-23-16(10-12)26-15-3-2-13(21)11-14(15)17(24-26)18(22)27/h2-3,5,8,10-11,29H,7,9H2,1H3,(H2,22,27)/t20-/m0/s1 | PDB
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B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.170 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of NIK (unknown origin) expressed in baculovirus infected insect cells assessed as reduction in hydrolysis of ATP to ADP after 1 to 2 hrs ... |
J Med Chem 61: 6801-6813 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00678
BindingDB Entry DOI: 10.7270/Q2PV6P00 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 14
(Homo sapiens (Human)) | BDBM312788
(1-[3-[2-[(3R)-3-hydroxy-1- methyl-2-oxo-pyrrolidin...)Show SMILES CN1CC[C@@](O)(C#Cc2cccc(c2)-c2nc(C(N)=O)n3ccccc23)C1=O |r| Show InChI InChI=1S/C21H18N4O3/c1-24-12-10-21(28,20(24)27)9-8-14-5-4-6-15(13-14)17-16-7-2-3-11-25(16)19(23-17)18(22)26/h2-7,11,13,28H,10,12H2,1H3,(H2,22,26)/t21-/m0/s1 | PDB
KEGG
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GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.180 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of NIK (unknown origin) expressed in baculovirus infected insect cells assessed as reduction in hydrolysis of ATP to ADP after 1 to 2 hrs ... |
J Med Chem 61: 6801-6813 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00678
BindingDB Entry DOI: 10.7270/Q2PV6P00 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50595097
(CHEMBL5170337)Show SMILES COC[C@H]1CCCN1c1cc(Nc2ccccn2)nc(n1)-n1cccn1 |r| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
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DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.220 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114378
BindingDB Entry DOI: 10.7270/Q2377DQ0 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 14
(Homo sapiens (Human)) | BDBM312764
(1-[3-[2-[(3R)-3-hydroxy-1- methyl-2-oxo-pyrrolidin...)Show SMILES CN1CC[C@@](O)(C#Cc2cccc(c2)-n2nc(C(N)=O)c3cccnc23)C1=O |r| Show InChI InChI=1S/C20H17N5O3/c1-24-11-9-20(28,19(24)27)8-7-13-4-2-5-14(12-13)25-18-15(6-3-10-22-18)16(23-25)17(21)26/h2-6,10,12,28H,9,11H2,1H3,(H2,21,26)/t20-/m0/s1 | PDB
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UniProtKB/SwissProt
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antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.230 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of NIK (unknown origin) expressed in baculovirus infected insect cells assessed as reduction in hydrolysis of ATP to ADP after 1 to 2 hrs ... |
J Med Chem 61: 6801-6813 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00678
BindingDB Entry DOI: 10.7270/Q2PV6P00 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 14
(Homo sapiens (Human)) | BDBM50457815
(CHEMBL4211840)Show SMILES COc1cc(nc(c1)-c1cccc(c1)C#C[C@]1(O)CCN(C)C1=O)C(N)=O |r| Show InChI InChI=1S/C20H19N3O4/c1-23-9-8-20(26,19(23)25)7-6-13-4-3-5-14(10-13)16-11-15(27-2)12-17(22-16)18(21)24/h3-5,10-12,26H,8-9H2,1-2H3,(H2,21,24)/t20-/m0/s1 | PDB
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| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| 0.230 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of NIK (unknown origin) expressed in baculovirus infected insect cells assessed as reduction in hydrolysis of ATP to ADP after 1 to 2 hrs ... |
J Med Chem 61: 6801-6813 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00678
BindingDB Entry DOI: 10.7270/Q2PV6P00 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 14
(Homo sapiens (Human)) | BDBM312711
(1-[3-[2-[(3R)-3-hydroxy-1- methyl-2-oxo-pyrrolidin...)Show SMILES CN1CC[C@@](O)(C#Cc2cccc(c2)-n2nc(C(N)=O)c3ccccc23)C1=O |r| Show InChI InChI=1S/C21H18N4O3/c1-24-12-11-21(28,20(24)27)10-9-14-5-4-6-15(13-14)25-17-8-3-2-7-16(17)18(23-25)19(22)26/h2-8,13,28H,11-12H2,1H3,(H2,22,26)/t21-/m0/s1 | PDB
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UniProtKB/SwissProt
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antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.230 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of NIK (unknown origin) expressed in baculovirus infected insect cells assessed as reduction in hydrolysis of ATP to ADP after 1 to 2 hrs ... |
J Med Chem 61: 6801-6813 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00678
BindingDB Entry DOI: 10.7270/Q2PV6P00 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 14
(Homo sapiens (Human)) | BDBM312723
(5-fluoro-1-[3-[2-[(3R)-3-hy- droxy-1-methyl-2-oxo-...)Show SMILES CN1CC[C@@](O)(C#Cc2cccc(c2)-n2nc(C(N)=O)c3cc(F)ccc23)C1=O |r| Show InChI InChI=1S/C21H17FN4O3/c1-25-10-9-21(29,20(25)28)8-7-13-3-2-4-15(11-13)26-17-6-5-14(22)12-16(17)18(24-26)19(23)27/h2-6,11-12,29H,9-10H2,1H3,(H2,23,27)/t21-/m0/s1 | PDB
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AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.270 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of NIK (unknown origin) expressed in baculovirus infected insect cells assessed as reduction in hydrolysis of ATP to ADP after 1 to 2 hrs ... |
J Med Chem 61: 6801-6813 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00678
BindingDB Entry DOI: 10.7270/Q2PV6P00 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 14
(Homo sapiens (Human)) | BDBM50457818
(CHEMBL4211560)Show SMILES CN1CC[C@@](O)(C#Cc2cccc(c2)-c2cccc(n2)C(N)=O)C1=O |r| Show InChI InChI=1S/C19H17N3O3/c1-22-11-10-19(25,18(22)24)9-8-13-4-2-5-14(12-13)15-6-3-7-16(21-15)17(20)23/h2-7,12,25H,10-11H2,1H3,(H2,20,23)/t19-/m0/s1 | PDB
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AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.420 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of NIK (unknown origin) expressed in baculovirus infected insect cells assessed as reduction in hydrolysis of ATP to ADP after 1 to 2 hrs ... |
J Med Chem 61: 6801-6813 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00678
BindingDB Entry DOI: 10.7270/Q2PV6P00 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 14
(Homo sapiens (Human)) | BDBM50457817
(CHEMBL4214032)Show SMILES COc1cc(nc(n1)-c1cccc(c1)C#C[C@]1(O)CCN(C)C1=O)C(N)=O |r| Show InChI InChI=1S/C19H18N4O4/c1-23-9-8-19(26,18(23)25)7-6-12-4-3-5-13(10-12)17-21-14(16(20)24)11-15(22-17)27-2/h3-5,10-11,26H,8-9H2,1-2H3,(H2,20,24)/t19-/m0/s1 | PDB
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GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.590 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of NIK (unknown origin) expressed in baculovirus infected insect cells assessed as reduction in hydrolysis of ATP to ADP after 1 to 2 hrs ... |
J Med Chem 61: 6801-6813 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00678
BindingDB Entry DOI: 10.7270/Q2PV6P00 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 14
(Homo sapiens (Human)) | BDBM312762
(1-[4-[2-[(3R)-3-hydroxy-1- methyl-2-oxo-pyrrolidin...)Show SMILES CN1CC[C@@](O)(C#Cc2ccnc(c2)-n2nc(C(N)=O)c3CCCCc23)C1=O |r| Show InChI InChI=1S/C20H21N5O3/c1-24-11-9-20(28,19(24)27)8-6-13-7-10-22-16(12-13)25-15-5-3-2-4-14(15)17(23-25)18(21)26/h7,10,12,28H,2-5,9,11H2,1H3,(H2,21,26)/t20-/m0/s1 | PDB
KEGG
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AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.860 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of NIK (unknown origin) expressed in baculovirus infected insect cells assessed as reduction in hydrolysis of ATP to ADP after 1 to 2 hrs ... |
J Med Chem 61: 6801-6813 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00678
BindingDB Entry DOI: 10.7270/Q2PV6P00 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM50508392
(CHEMBL4435664)Show SMILES FC(F)(F)c1ccc(cc1C1=C(C(=O)NC1=O)c1c[nH]c2ccccc12)N1CCN(CC1)C(=O)C=C |t:11| Show InChI InChI=1S/C26H21F3N4O3/c1-2-21(34)33-11-9-32(10-12-33)15-7-8-19(26(27,28)29)17(13-15)22-23(25(36)31-24(22)35)18-14-30-20-6-4-3-5-16(18)20/h2-8,13-14,30H,1,9-12H2,(H,31,35,36) | PDB
Reactome pathway
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| PC cid
PC sid
UniChem
| Article
PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Peking University
Curated by ChEMBL
| Assay Description
Inhibition of human N-terminal His-tagged JAK3 (795 to 1124 residues) expressed in baculovirus expression system in presence of 6 uM ATP by HTRF assa... |
J Med Chem 62: 1054-1066 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01823
BindingDB Entry DOI: 10.7270/Q20G3PFP |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM50508386
(CHEMBL4450627)Show SMILES [O-][N+](=O)c1ccc(cc1C1=C(C(=O)NC1=O)c1c[nH]c2ccccc12)N1CCN(CC1)C(=O)C=C |t:10| Show InChI InChI=1S/C25H21N5O5/c1-2-21(31)29-11-9-28(10-12-29)15-7-8-20(30(34)35)17(13-15)22-23(25(33)27-24(22)32)18-14-26-19-6-4-3-5-16(18)19/h2-8,13-14,26H,1,9-12H2,(H,27,32,33) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Peking University
Curated by ChEMBL
| Assay Description
Inhibition of human N-terminal His-tagged JAK3 (795 to 1124 residues) expressed in baculovirus expression system in presence of 6 uM ATP by HTRF assa... |
J Med Chem 62: 1054-1066 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01823
BindingDB Entry DOI: 10.7270/Q20G3PFP |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 14
(Homo sapiens (Human)) | BDBM50457812
(CHEMBL4217923)Show SMILES CN1CC[C@@](O)(C#Cc2cccc(c2)-c2cncc(n2)C(N)=O)C1=O |r| Show InChI InChI=1S/C18H16N4O3/c1-22-8-7-18(25,17(22)24)6-5-12-3-2-4-13(9-12)14-10-20-11-15(21-14)16(19)23/h2-4,9-11,25H,7-8H2,1H3,(H2,19,23)/t18-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
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AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of NIK (unknown origin) expressed in baculovirus infected insect cells assessed as reduction in hydrolysis of ATP to ADP after 1 to 2 hrs ... |
J Med Chem 61: 6801-6813 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00678
BindingDB Entry DOI: 10.7270/Q2PV6P00 |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens) | BDBM50092173
(CHEMBL325710 | N*6*,N*6*-Dipropyl-6,7-dihydro-5H-1...)Show InChI InChI=1S/C16H23N3S/c1-3-5-19(6-4-2)13-7-11-9-14-15(10-12(11)8-13)20-16(17)18-14/h9-10,13H,3-8H2,1-2H3,(H2,17,18) | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114378
BindingDB Entry DOI: 10.7270/Q2377DQ0 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 14
(Homo sapiens (Human)) | BDBM50457811
(CHEMBL4210461)Show SMILES CN1CC[C@@](O)(C#Cc2cccc(c2)-c2ccnc(n2)C(N)=O)C1=O |r| Show InChI InChI=1S/C18H16N4O3/c1-22-10-8-18(25,17(22)24)7-5-12-3-2-4-13(11-12)14-6-9-20-16(21-14)15(19)23/h2-4,6,9,11,25H,8,10H2,1H3,(H2,19,23)/t18-/m0/s1 | PDB
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Genentech
Curated by ChEMBL
| Assay Description
Inhibition of NIK (unknown origin) expressed in baculovirus infected insect cells assessed as reduction in hydrolysis of ATP to ADP after 1 to 2 hrs ... |
J Med Chem 61: 6801-6813 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00678
BindingDB Entry DOI: 10.7270/Q2PV6P00 |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50123627
((S)-6-Dipropylamino-5,6,7,8-tetrahydro-naphthalene...)Show InChI InChI=1S/C16H25NO2/c1-3-9-17(10-4-2)13-6-7-14-12(11-13)5-8-15(18)16(14)19/h5,8,13,18-19H,3-4,6-7,9-11H2,1-2H3/t13-/m0/s1 | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114378
BindingDB Entry DOI: 10.7270/Q2377DQ0 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50048466
(2-(furan-2-yl)-7-phenethyl-7H-pyrazolo[4,3-e][1,2,...)Show InChI InChI=1S/C18H15N7O/c19-18-22-16-13(11-20-24(16)9-8-12-5-2-1-3-6-12)17-21-15(23-25(17)18)14-7-4-10-26-14/h1-7,10-11H,8-9H2,(H2,19,22) | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114378
BindingDB Entry DOI: 10.7270/Q2377DQ0 |
More data for this
Ligand-Target Pair | |
D(1A) dopamine receptor
(Homo sapiens (Human)) | BDBM50123627
((S)-6-Dipropylamino-5,6,7,8-tetrahydro-naphthalene...)Show InChI InChI=1S/C16H25NO2/c1-3-9-17(10-4-2)13-6-7-14-12(11-13)5-8-15(18)16(14)19/h5,8,13,18-19H,3-4,6-7,9-11H2,1-2H3/t13-/m0/s1 | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114378
BindingDB Entry DOI: 10.7270/Q2377DQ0 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM50508391
(CHEMBL4470305)Show SMILES Clc1ccc(cc1C1=C(C(=O)NC1=O)c1c[nH]c2ccccc12)N1CCN(CC1)C(=O)C=C |t:8| Show InChI InChI=1S/C25H21ClN4O3/c1-2-21(31)30-11-9-29(10-12-30)15-7-8-19(26)17(13-15)22-23(25(33)28-24(22)32)18-14-27-20-6-4-3-5-16(18)20/h2-8,13-14,27H,1,9-12H2,(H,28,32,33) | PDB
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Peking University
Curated by ChEMBL
| Assay Description
Inhibition of human N-terminal His-tagged JAK3 (795 to 1124 residues) expressed in baculovirus expression system in presence of 6 uM ATP by HTRF assa... |
J Med Chem 62: 1054-1066 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01823
BindingDB Entry DOI: 10.7270/Q20G3PFP |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50152240
(CHEMBL184309 | N*5*-{2-[4-(2,4-Difluoro-phenyl)-pi...)Show SMILES CN(CCN1CCN(CC1)c1ccc(F)cc1F)c1nc(N)n2nc(nc2n1)-c1ccco1 Show InChI InChI=1S/C21H23F2N9O/c1-29(6-7-30-8-10-31(11-9-30)16-5-4-14(22)13-15(16)23)20-26-19(24)32-21(27-20)25-18(28-32)17-3-2-12-33-17/h2-5,12-13H,6-11H2,1H3,(H2,24,25,26,27,28) | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114378
BindingDB Entry DOI: 10.7270/Q2377DQ0 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 14
(Homo sapiens (Human)) | BDBM312799
(3-[3-[2-[(3R)-3-hydroxy-1- methyl-2-oxo-pyrrolidin...)Show SMILES CN1CC[C@@](O)(C#Cc2cccc(c2)-c2nc(C(N)=O)c3ccccn23)C1=O |r| Show InChI InChI=1S/C21H18N4O3/c1-24-12-10-21(28,20(24)27)9-8-14-5-4-6-15(13-14)19-23-17(18(22)26)16-7-2-3-11-25(16)19/h2-7,11,13,28H,10,12H2,1H3,(H2,22,26)/t21-/m0/s1 | PDB
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Genentech
Curated by ChEMBL
| Assay Description
Inhibition of NIK (unknown origin) expressed in baculovirus infected insect cells assessed as reduction in hydrolysis of ATP to ADP after 1 to 2 hrs ... |
J Med Chem 61: 6801-6813 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00678
BindingDB Entry DOI: 10.7270/Q2PV6P00 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 14
(Homo sapiens (Human)) | BDBM50457813
(CHEMBL4210066)Show SMILES CCOc1ccn2c(nc(C(N)=O)c2c1)-c1cccc(c1)C#C[C@]1(O)CCN(C)C1=O |r| Show InChI InChI=1S/C23H22N4O4/c1-3-31-17-8-11-27-18(14-17)19(20(24)28)25-21(27)16-6-4-5-15(13-16)7-9-23(30)10-12-26(2)22(23)29/h4-6,8,11,13-14,30H,3,10,12H2,1-2H3,(H2,24,28)/t23-/m0/s1 | PDB
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Genentech
Curated by ChEMBL
| Assay Description
Inhibition of NIK (unknown origin) expressed in baculovirus infected insect cells assessed as reduction in hydrolysis of ATP to ADP after 1 to 2 hrs ... |
J Med Chem 61: 6801-6813 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00678
BindingDB Entry DOI: 10.7270/Q2PV6P00 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50499055
(CHEMBL3735985)Show SMILES Cc1ccc(o1)-c1cc(nc(N)n1)-c1cccc(c1)C(=O)N1CCCCC1 Show InChI InChI=1S/C21H22N4O2/c1-14-8-9-19(27-14)18-13-17(23-21(22)24-18)15-6-5-7-16(12-15)20(26)25-10-3-2-4-11-25/h5-9,12-13H,2-4,10-11H2,1H3,(H2,22,23,24) | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114378
BindingDB Entry DOI: 10.7270/Q2377DQ0 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 14
(Homo sapiens (Human)) | BDBM312794
(5-amino-1-[4-[2-[(3R)-3-hy- droxy-1-methyl-2-oxo-p...)Show SMILES CN1CC[C@@](O)(C#Cc2ccnc(c2)-n2nc(cc2N)C(N)=O)C1=O |r| Show InChI InChI=1S/C16H16N6O3/c1-21-7-5-16(25,15(21)24)4-2-10-3-6-19-13(8-10)22-12(17)9-11(20-22)14(18)23/h3,6,8-9,25H,5,7,17H2,1H3,(H2,18,23)/t16-/m0/s1 | PDB
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Genentech
Curated by ChEMBL
| Assay Description
Inhibition of NIK (unknown origin) expressed in baculovirus infected insect cells assessed as reduction in hydrolysis of ATP to ADP after 1 to 2 hrs ... |
J Med Chem 61: 6801-6813 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00678
BindingDB Entry DOI: 10.7270/Q2PV6P00 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM50508381
(CHEMBL4454565)Show SMILES CN(CCNC(=O)C=C)c1ccc(c(c1)C1=C(C(=O)NC1=O)c1c[nH]c2ccccc12)C(F)(F)F |t:16| Show InChI InChI=1S/C25H21F3N4O3/c1-3-20(33)29-10-11-32(2)14-8-9-18(25(26,27)28)16(12-14)21-22(24(35)31-23(21)34)17-13-30-19-7-5-4-6-15(17)19/h3-9,12-13,30H,1,10-11H2,2H3,(H,29,33)(H,31,34,35) | PDB
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Peking University
Curated by ChEMBL
| Assay Description
Inhibition of human N-terminal His-tagged JAK3 (795 to 1124 residues) expressed in baculovirus expression system in presence of 6 uM ATP by HTRF assa... |
J Med Chem 62: 1054-1066 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01823
BindingDB Entry DOI: 10.7270/Q20G3PFP |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50499055
(CHEMBL3735985)Show SMILES Cc1ccc(o1)-c1cc(nc(N)n1)-c1cccc(c1)C(=O)N1CCCCC1 Show InChI InChI=1S/C21H22N4O2/c1-14-8-9-19(27-14)18-13-17(23-21(22)24-18)15-6-5-7-16(12-15)20(26)25-10-3-2-4-11-25/h5-9,12-13H,2-4,10-11H2,1H3,(H2,22,23,24) | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114378
BindingDB Entry DOI: 10.7270/Q2377DQ0 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50152215
(7N-[1-(2-chloro-4-pyridylmethyl)-(2R)-tetrahydro-1...)Show SMILES Nc1nc(NC[C@H]2CCCN2Cc2ccnc(Cl)c2)nc2nc(nn12)-c1ccco1 Show InChI InChI=1S/C19H20ClN9O/c20-15-9-12(5-6-22-15)11-28-7-1-3-13(28)10-23-18-25-17(21)29-19(26-18)24-16(27-29)14-4-2-8-30-14/h2,4-6,8-9,13H,1,3,7,10-11H2,(H3,21,23,24,25,26,27)/t13-/m1/s1 | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114378
BindingDB Entry DOI: 10.7270/Q2377DQ0 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50011294
(A2A | Ro-4494351 | Ro-4494351-002 | Ro-4494351000 ...)Show SMILES COc1ccc(N2CCOCC2)c2sc(NC(=O)N3CCC(C)(O)CC3)nc12 Show InChI InChI=1S/C19H26N4O4S/c1-19(25)5-7-23(8-6-19)18(24)21-17-20-15-14(26-2)4-3-13(16(15)28-17)22-9-11-27-12-10-22/h3-4,25H,5-12H2,1-2H3,(H,20,21,24) | PDB
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| PDB
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TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114378
BindingDB Entry DOI: 10.7270/Q2377DQ0 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Mitogen-activated protein kinase kinase kinase 14
(Homo sapiens (Human)) | BDBM312792
(5-cyclopropyl-1-[4-[2-[(3R)- 3-hydroxy-1-methyl-2-...)Show SMILES CN1CC[C@@](O)(C#Cc2ccnc(c2)-n2nc(cc2C2CC2)C(N)=O)C1=O |r| Show InChI InChI=1S/C19H19N5O3/c1-23-9-7-19(27,18(23)26)6-4-12-5-8-21-16(10-12)24-15(13-2-3-13)11-14(22-24)17(20)25/h5,8,10-11,13,27H,2-3,7,9H2,1H3,(H2,20,25)/t19-/m0/s1 | PDB
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| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of NIK (unknown origin) expressed in baculovirus infected insect cells assessed as reduction in hydrolysis of ATP to ADP after 1 to 2 hrs ... |
J Med Chem 61: 6801-6813 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00678
BindingDB Entry DOI: 10.7270/Q2PV6P00 |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-gamma
(Homo sapiens (Human)) | BDBM50445876
(CHEMBL3105692)Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2cc(c(s2)C(=O)c2ccccc2Cl)-c2cccc(Cl)c2)cc1 Show InChI InChI=1S/C27H21Cl2NO4S2/c1-2-36(33,34)20-12-10-17(11-13-20)14-24(31)30-25-16-22(18-6-5-7-19(28)15-18)27(35-25)26(32)21-8-3-4-9-23(21)29/h3-13,15-16H,2,14H2,1H3,(H,30,31) | PDB
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| 25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Displacement of 25-[26,27-3H]hydroxycholesterol from RORgammat receptor ligand binding domain (unknown origin) after 60 mins |
Bioorg Med Chem 22: 692-702 (2014)
Article DOI: 10.1016/j.bmc.2013.12.021
BindingDB Entry DOI: 10.7270/Q2Z039M7 |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50092173
(CHEMBL325710 | N*6*,N*6*-Dipropyl-6,7-dihydro-5H-1...)Show InChI InChI=1S/C16H23N3S/c1-3-5-19(6-4-2)13-7-11-9-14-15(10-12(11)8-13)20-16(17)18-14/h9-10,13H,3-8H2,1-2H3,(H2,17,18) | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114378
BindingDB Entry DOI: 10.7270/Q2377DQ0 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM50508382
(CHEMBL4533508)Show SMILES FC(F)(F)c1ccc(NC2CCN(CC2)C(=O)C=C)cc1C1=C(C(=O)NC1=O)c1c[nH]c2ccccc12 |t:23| Show InChI InChI=1S/C27H23F3N4O3/c1-2-22(35)34-11-9-15(10-12-34)32-16-7-8-20(27(28,29)30)18(13-16)23-24(26(37)33-25(23)36)19-14-31-21-6-4-3-5-17(19)21/h2-8,13-15,31-32H,1,9-12H2,(H,33,36,37) | PDB
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| 27 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Peking University
Curated by ChEMBL
| Assay Description
Inhibition of human N-terminal His-tagged JAK3 (795 to 1124 residues) expressed in baculovirus expression system in presence of 6 uM ATP by HTRF assa... |
J Med Chem 62: 1054-1066 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01823
BindingDB Entry DOI: 10.7270/Q20G3PFP |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 14
(Homo sapiens (Human)) | BDBM312766
(1-[4-[2-[(3R)-3-hydroxy-1- methyl-2-oxo-pyrrolidin...)Show SMILES CN1CC[C@@](O)(C#Cc2ccnc(c2)-n2ccc(n2)C(N)=O)C1=O |r| Show InChI InChI=1S/C16H15N5O3/c1-20-9-6-16(24,15(20)23)5-2-11-3-7-18-13(10-11)21-8-4-12(19-21)14(17)22/h3-4,7-8,10,24H,6,9H2,1H3,(H2,17,22)/t16-/m0/s1 | PDB
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| 28 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of NIK (unknown origin) expressed in baculovirus infected insect cells assessed as reduction in hydrolysis of ATP to ADP after 1 to 2 hrs ... |
J Med Chem 61: 6801-6813 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00678
BindingDB Entry DOI: 10.7270/Q2PV6P00 |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-gamma
(Homo sapiens (Human)) | BDBM50445875
(CHEMBL3105671)Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2cc(c(s2)C(=O)c2cccc(F)c2)-c2cccc(Cl)c2)cc1 Show InChI InChI=1S/C27H21ClFNO4S2/c1-2-36(33,34)22-11-9-17(10-12-22)13-24(31)30-25-16-23(18-5-3-7-20(28)14-18)27(35-25)26(32)19-6-4-8-21(29)15-19/h3-12,14-16H,2,13H2,1H3,(H,30,31) | PDB
UniProtKB/SwissProt
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PC sid
UniChem
Similars
| Article
PubMed
| 32 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Displacement of 25-[26,27-3H]hydroxycholesterol from RORgammat receptor ligand binding domain (unknown origin) after 60 mins |
Bioorg Med Chem 22: 692-702 (2014)
Article DOI: 10.1016/j.bmc.2013.12.021
BindingDB Entry DOI: 10.7270/Q2Z039M7 |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-gamma
(Homo sapiens (Human)) | BDBM50445877
(CHEMBL3105681)Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2nc(c(s2)C(=O)c2ccccc2Cl)-c2cccc(Cl)c2)cc1 Show InChI InChI=1S/C26H20Cl2N2O4S2/c1-2-36(33,34)19-12-10-16(11-13-19)14-22(31)29-26-30-23(17-6-5-7-18(27)15-17)25(35-26)24(32)20-8-3-4-9-21(20)28/h3-13,15H,2,14H2,1H3,(H,29,30,31) | PDB
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PDB
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Similars
| PDB
Article
PubMed
| 40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Displacement of 25-[26,27-3H]hydroxycholesterol from RORgammat receptor ligand binding domain (unknown origin) after 60 mins |
Bioorg Med Chem 22: 692-702 (2014)
Article DOI: 10.1016/j.bmc.2013.12.021
BindingDB Entry DOI: 10.7270/Q2Z039M7 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM50508390
(CHEMBL4445411)Show SMILES Cc1ccc(cc1C1=C(C(=O)NC1=O)c1c[nH]c2ccccc12)N1CCN(CC1)C(=O)C=C |t:8| Show InChI InChI=1S/C26H24N4O3/c1-3-22(31)30-12-10-29(11-13-30)17-9-8-16(2)19(14-17)23-24(26(33)28-25(23)32)20-15-27-21-7-5-4-6-18(20)21/h3-9,14-15,27H,1,10-13H2,2H3,(H,28,32,33) | PDB
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| Article
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| 51 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Peking University
Curated by ChEMBL
| Assay Description
Inhibition of human N-terminal His-tagged JAK3 (795 to 1124 residues) expressed in baculovirus expression system in presence of 6 uM ATP by HTRF assa... |
J Med Chem 62: 1054-1066 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01823
BindingDB Entry DOI: 10.7270/Q20G3PFP |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50594647
(CHEMBL5182020)Show SMILES Cc1cccc(Nc2nc(NCCCO)nc3n(ncc23)-c2ccccc2)c1 | PDB
MMDB
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| 54 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114378
BindingDB Entry DOI: 10.7270/Q2377DQ0 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM50508407
(CHEMBL4543011)Show SMILES FC(F)(F)c1ccc(cc1C1=C(C(=O)NC1=O)c1c[nH]c2ccccc12)N1CCN(CC1)C(=O)C#C |t:11| Show InChI InChI=1S/C26H19F3N4O3/c1-2-21(34)33-11-9-32(10-12-33)15-7-8-19(26(27,28)29)17(13-15)22-23(25(36)31-24(22)35)18-14-30-20-6-4-3-5-16(18)20/h1,3-8,13-14,30H,9-12H2,(H,31,35,36) | PDB
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| 55 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Peking University
Curated by ChEMBL
| Assay Description
Inhibition of human N-terminal His-tagged JAK3 (795 to 1124 residues) expressed in baculovirus expression system in presence of 6 uM ATP by HTRF assa... |
J Med Chem 62: 1054-1066 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01823
BindingDB Entry DOI: 10.7270/Q20G3PFP |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50377446
((S,R)-MEFLOQUINE)Show SMILES O[C@@H]([C@@H]1CCCCN1)c1cc(nc2c(cccc12)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C17H16F6N2O/c18-16(19,20)11-5-3-4-9-10(15(26)12-6-1-2-7-24-12)8-13(17(21,22)23)25-14(9)11/h3-5,8,12,15,24,26H,1-2,6-7H2/t12-,15+/m0/s1 | PDB
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| 61 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114378
BindingDB Entry DOI: 10.7270/Q2377DQ0 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50156628
((R)-2-furan-2-yl-7-(hexahydropyrrolo[1,2-a]pyrazin...)Show SMILES Nc1nc(cc2nc(nn12)-c1ccco1)N1CCN2CCC[C@@H]2C1 |r| Show InChI InChI=1S/C16H19N7O/c17-16-19-13(22-7-6-21-5-1-3-11(21)10-22)9-14-18-15(20-23(14)16)12-4-2-8-24-12/h2,4,8-9,11H,1,3,5-7,10H2,(H2,17,19)/t11-/m1/s1 | PDB
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UniChem
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PubMed
| 63 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114378
BindingDB Entry DOI: 10.7270/Q2377DQ0 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 14
(Homo sapiens (Human)) | BDBM50457814
(CHEMBL4212983)Show SMILES CN1CC[C@@](O)(C#Cc2cccc(c2)-c2cccc(c2)C(N)=O)C1=O |r| Show InChI InChI=1S/C20H18N2O3/c1-22-11-10-20(25,19(22)24)9-8-14-4-2-5-15(12-14)16-6-3-7-17(13-16)18(21)23/h2-7,12-13,25H,10-11H2,1H3,(H2,21,23)/t20-/m0/s1 | PDB
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| 68 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of NIK (unknown origin) expressed in baculovirus infected insect cells assessed as reduction in hydrolysis of ATP to ADP after 1 to 2 hrs ... |
J Med Chem 61: 6801-6813 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00678
BindingDB Entry DOI: 10.7270/Q2PV6P00 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50151188
(5-(4-((5-chloro-1-methyl-3-(trifluoromethyl)-1H-py...)Show SMILES Cn1nc(c(CN2CCN(CC2)c2nc(N)n3nc(nc3n2)-c2ccco2)c1Cl)C(F)(F)F Show InChI InChI=1S/C18H18ClF3N10O/c1-29-13(19)10(12(27-29)18(20,21)22)9-30-4-6-31(7-5-30)16-25-15(23)32-17(26-16)24-14(28-32)11-3-2-8-33-11/h2-3,8H,4-7,9H2,1H3,(H2,23,24,25,26,28) | PDB
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| 100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114378
BindingDB Entry DOI: 10.7270/Q2377DQ0 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50048466
(2-(furan-2-yl)-7-phenethyl-7H-pyrazolo[4,3-e][1,2,...)Show InChI InChI=1S/C18H15N7O/c19-18-22-16-13(11-20-24(16)9-8-12-5-2-1-3-6-12)17-21-15(23-25(17)18)14-7-4-10-26-14/h1-7,10-11H,8-9H2,(H2,19,22) | PDB
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| 121 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114378
BindingDB Entry DOI: 10.7270/Q2377DQ0 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM50508389
(CHEMBL4444559)Show SMILES FC(F)(F)c1ccc(cc1C1=C(C(=O)NC1=O)c1c[nH]c2ccccc12)N1CCC[C@H](C1)NC(=O)C=C |r,t:11| Show InChI InChI=1S/C27H23F3N4O3/c1-2-22(35)32-15-6-5-11-34(14-15)16-9-10-20(27(28,29)30)18(12-16)23-24(26(37)33-25(23)36)19-13-31-21-8-4-3-7-17(19)21/h2-4,7-10,12-13,15,31H,1,5-6,11,14H2,(H,32,35)(H,33,36,37)/t15-/m1/s1 | PDB
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| 201 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Peking University
Curated by ChEMBL
| Assay Description
Inhibition of human N-terminal His-tagged JAK3 (795 to 1124 residues) expressed in baculovirus expression system in presence of 6 uM ATP by HTRF assa... |
J Med Chem 62: 1054-1066 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01823
BindingDB Entry DOI: 10.7270/Q20G3PFP |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50152215
(7N-[1-(2-chloro-4-pyridylmethyl)-(2R)-tetrahydro-1...)Show SMILES Nc1nc(NC[C@H]2CCCN2Cc2ccnc(Cl)c2)nc2nc(nn12)-c1ccco1 Show InChI InChI=1S/C19H20ClN9O/c20-15-9-12(5-6-22-15)11-28-7-1-3-13(28)10-23-18-25-17(21)29-19(26-18)24-16(27-29)14-4-2-8-30-14/h2,4-6,8-9,13H,1,3,7,10-11H2,(H3,21,23,24,25,26,27)/t13-/m1/s1 | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114378
BindingDB Entry DOI: 10.7270/Q2377DQ0 |
More data for this
Ligand-Target Pair | |
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