Found 190 hits with Last Name = 'dai' and Initial = 'b' 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 |
|---|
Nucleotide-binding oligomerization domain-containing protein 2
(Homo sapiens (Human)) | BDBM50564984
(CHEMBL4781373)Show SMILES CCCS(=O)(=O)Nc1cc(cc(OC)c1OC)-c1cc(cnc1N)-c1ccc(cc1)N1CCNCC1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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 |
TBA
| Assay Description
Inhibition of human NOD2 expressed in HEK293 cells coexpressing NFkappaB-SEAP reporter measured after 7 to 9 hrs by HEKBIue reporter assay |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112417
BindingDB Entry DOI: 10.7270/Q2M0495P |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 20
(Homo sapiens (Human)) | BDBM50268010
(CHEMBL4098896)Show SMILES COc1n[nH]c2ncc(cc12)C#Cc1c(F)ccc(NS(=O)(=O)c2cccc(c2)C#N)c1F Show InChI InChI=1S/C22H13F2N5O3S/c1-32-22-17-10-14(12-26-21(17)27-28-22)5-6-16-18(23)7-8-19(20(16)24)29-33(30,31)15-4-2-3-13(9-15)11-25/h2-4,7-10,12,29H,1H3,(H,26,27,28) | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.30 | n/a | n/a | n/a | n/a | n/a | n/a |
State Key Laboratory of Quality Research in Chinese Medicine, Institute of Chinese Medical Sciences, University of Macau , Macao, China.
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal GST-tagged recombinant human full-length ZAK expressed in baculovirus infected Sf9 insect cells using MBP as substrate after... |
J Med Chem 60: 5927-5932 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00572
BindingDB Entry DOI: 10.7270/Q29G5Q9V |
More data for this
Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM50399540
(FORETINIB | US10464902, Foretinib | US10882853, Co...)Show SMILES COc1cc2c(Oc3ccc(NC(=O)C4(CC4)C(=O)Nc4ccc(F)cc4)cc3F)ccnc2cc1OCCCN1CCOCC1 Show InChI InChI=1S/C34H34F2N4O6/c1-43-30-20-25-27(21-31(30)45-16-2-13-40-14-17-44-18-15-40)37-12-9-28(25)46-29-8-7-24(19-26(29)36)39-33(42)34(10-11-34)32(41)38-23-5-3-22(35)4-6-23/h3-9,12,19-21H,2,10-11,13-18H2,1H3,(H,38,41)(H,39,42) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Shenyang Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of FLT3 (unknown origin) |
Bioorg Med Chem Lett 29: (2019)
Article DOI: 10.1016/j.bmcl.2019.126630
BindingDB Entry DOI: 10.7270/Q2FN19JG |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50147472
(3-[1-(3-Hydroxy-propyl)-1H-pyrrolo[2,3-b]pyridin-3...)Show SMILES COc1ccccc1C1=C(C(=O)NC1=O)c1cn(CCCO)c2ncccc12 |t:9| Show InChI InChI=1S/C21H19N3O4/c1-28-16-8-3-2-6-14(16)17-18(21(27)23-20(17)26)15-12-24(10-5-11-25)19-13(15)7-4-9-22-19/h2-4,6-9,12,25H,5,10-11H2,1H3,(H,23,26,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Wuhan Institute of Technology
Curated by ChEMBL
| Assay Description
Inhibition of human Protein kinase C alpha |
Eur J Med Chem 164: 448-470 (2019)
Article DOI: 10.1016/j.ejmech.2018.12.073
BindingDB Entry DOI: 10.7270/Q2WH2SVB |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 20
(Homo sapiens (Human)) | BDBM50268018
(CHEMBL4096439)Show SMILES COc1n[nH]c2ncc(cc12)C#Cc1c(F)ccc(NS(=O)(=O)c2cccc(Cl)c2)c1F Show InChI InChI=1S/C21H13ClF2N4O3S/c1-31-21-16-9-12(11-25-20(16)26-27-21)5-6-15-17(23)7-8-18(19(15)24)28-32(29,30)14-4-2-3-13(22)10-14/h2-4,7-11,28H,1H3,(H,25,26,27) | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 4.20 | n/a | n/a | n/a | n/a | n/a | n/a |
State Key Laboratory of Quality Research in Chinese Medicine, Institute of Chinese Medical Sciences, University of Macau , Macao, China.
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal GST-tagged recombinant human full-length ZAK expressed in baculovirus infected Sf9 insect cells using MBP as substrate after... |
J Med Chem 60: 5927-5932 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00572
BindingDB Entry DOI: 10.7270/Q29G5Q9V |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 20
(Homo sapiens (Human)) | BDBM50268016
(CHEMBL4080860)Show SMILES COc1n[nH]c2ncc(cc12)C#Cc1c(F)ccc(NS(=O)(=O)c2cccc(Br)c2)c1F Show InChI InChI=1S/C21H13BrF2N4O3S/c1-31-21-16-9-12(11-25-20(16)26-27-21)5-6-15-17(23)7-8-18(19(15)24)28-32(29,30)14-4-2-3-13(22)10-14/h2-4,7-11,28H,1H3,(H,25,26,27) | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
State Key Laboratory of Quality Research in Chinese Medicine, Institute of Chinese Medical Sciences, University of Macau , Macao, China.
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal GST-tagged recombinant human full-length ZAK expressed in baculovirus infected Sf9 insect cells using MBP as substrate after... |
J Med Chem 60: 5927-5932 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00572
BindingDB Entry DOI: 10.7270/Q29G5Q9V |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Activin receptor type-1
(Homo sapiens (Human)) | BDBM50564978
(CHEMBL4776631)Show SMILES COc1cc(NS(=O)(=O)c2ccccc2)cc(c1)-c1cc(cnc1N)-c1ccc(cc1)N1CCNCC1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human ALK2 using casein as substrate in presence of 10 uM [gamma33P] ATP by kinase assay |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112417
BindingDB Entry DOI: 10.7270/Q2M0495P |
More data for this
Ligand-Target Pair | |
Activin receptor type-1
(Homo sapiens (Human)) | BDBM50564975
(CHEMBL4784430)Show SMILES COc1cc(NS(C)(=O)=O)cc(c1)-c1cc(cnc1N)-c1ccc(cc1)N1CCNCC1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human ALK2 using casein as substrate in presence of 10 uM [gamma33P] ATP by kinase assay |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112417
BindingDB Entry DOI: 10.7270/Q2M0495P |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM8579
(4-Acylamino-6-arylfuro[2,3-d]pyrimidine 24 | N-[6-...)Show InChI InChI=1S/C17H16N4O2/c22-16(11-4-1-2-5-11)21-15-13-8-14(12-6-3-7-18-9-12)23-17(13)20-10-19-15/h3,6-11H,1-2,4-5H2,(H,19,20,21,22) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Wuhan Institute of Technology
Curated by ChEMBL
| Assay Description
Inhibition of human Protein kinase C alpha |
Eur J Med Chem 164: 448-470 (2019)
Article DOI: 10.1016/j.ejmech.2018.12.073
BindingDB Entry DOI: 10.7270/Q2WH2SVB |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM8574
(4-Acylamino-6-arylfuro[2,3-d]pyrimidine 19 | N-[6-...)Show InChI InChI=1S/C15H12N4O2/c20-14(9-3-4-9)19-13-11-6-12(10-2-1-5-16-7-10)21-15(11)18-8-17-13/h1-2,5-9H,3-4H2,(H,17,18,19,20) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Wuhan Institute of Technology
Curated by ChEMBL
| Assay Description
Inhibition of human Protein kinase C beta 2 |
Eur J Med Chem 164: 448-470 (2019)
Article DOI: 10.1016/j.ejmech.2018.12.073
BindingDB Entry DOI: 10.7270/Q2WH2SVB |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 20
(Homo sapiens (Human)) | BDBM50268020
(CHEMBL4104859)Show SMILES COc1n[nH]c2ncc(cc12)C#Cc1c(F)ccc(NS(=O)(=O)c2ccccc2Cl)c1F Show InChI InChI=1S/C21H13ClF2N4O3S/c1-31-21-14-10-12(11-25-20(14)26-27-21)6-7-13-16(23)8-9-17(19(13)24)28-32(29,30)18-5-3-2-4-15(18)22/h2-5,8-11,28H,1H3,(H,25,26,27) | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 5.10 | n/a | n/a | n/a | n/a | n/a | n/a |
State Key Laboratory of Quality Research in Chinese Medicine, Institute of Chinese Medical Sciences, University of Macau , Macao, China.
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal GST-tagged recombinant human full-length ZAK expressed in baculovirus infected Sf9 insect cells using MBP as substrate after... |
J Med Chem 60: 5927-5932 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00572
BindingDB Entry DOI: 10.7270/Q29G5Q9V |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 20
(Homo sapiens (Human)) | BDBM50268037
(CHEMBL4091071)Show SMILES Fc1ccc(NS(=O)(=O)c2cccc(Cl)c2)c(F)c1C#Cc1cnc2[nH]ncc2c1 Show InChI InChI=1S/C20H11ClF2N4O2S/c21-14-2-1-3-15(9-14)30(28,29)27-18-7-6-17(22)16(19(18)23)5-4-12-8-13-11-25-26-20(13)24-10-12/h1-3,6-11,27H,(H,24,25,26) | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 5.10 | n/a | n/a | n/a | n/a | n/a | n/a |
State Key Laboratory of Quality Research in Chinese Medicine, Institute of Chinese Medical Sciences, University of Macau , Macao, China.
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal GST-tagged recombinant human full-length ZAK expressed in baculovirus infected Sf9 insect cells using MBP as substrate after... |
J Med Chem 60: 5927-5932 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00572
BindingDB Entry DOI: 10.7270/Q29G5Q9V |
More data for this
Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM50463712
(CHEMBL4247248)Show SMILES Cc1cc(-c2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)c2c(N)onc2n1 Show InChI InChI=1S/C21H15ClF3N5O2/c1-10-8-14(17-18(26)32-30-19(17)27-10)11-2-4-12(5-3-11)28-20(31)29-13-6-7-16(22)15(9-13)21(23,24)25/h2-9H,26H2,1H3,(H2,28,29,31) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5.60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2022.116937
BindingDB Entry DOI: 10.7270/Q27S7SRR |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50147458
((3-{3-[4-(2-Methoxy-phenyl)-2,5-dioxo-2,5-dihydro-...)Show SMILES COc1ccccc1C1=C(C(=O)NC1=O)c1cn(CCCNC(=O)OC(C)(C)C)c2ncccc12 |t:9| Show InChI InChI=1S/C26H28N4O5/c1-26(2,3)35-25(33)28-13-8-14-30-15-18(16-10-7-12-27-22(16)30)21-20(23(31)29-24(21)32)17-9-5-6-11-19(17)34-4/h5-7,9-12,15H,8,13-14H2,1-4H3,(H,28,33)(H,29,31,32) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Wuhan Institute of Technology
Curated by ChEMBL
| Assay Description
Inhibition of Protein kinase C eta expressed in Sf-9 cells |
Eur J Med Chem 164: 448-470 (2019)
Article DOI: 10.1016/j.ejmech.2018.12.073
BindingDB Entry DOI: 10.7270/Q2WH2SVB |
More data for this
Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM50362058
(CHEMBL1940274)Show SMILES COc1cc2ncnc(Oc3ccc(CC(=O)Nc4cnn(c4)C(C)C)cc3)c2cc1OC Show InChI InChI=1S/C24H25N5O4/c1-15(2)29-13-17(12-27-29)28-23(30)9-16-5-7-18(8-6-16)33-24-19-10-21(31-3)22(32-4)11-20(19)25-14-26-24/h5-8,10-15H,9H2,1-4H3,(H,28,30) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
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 FLT3 (unknown origin) |
Bioorg Med Chem Lett 29: (2019)
Article DOI: 10.1016/j.bmcl.2019.126630
BindingDB Entry DOI: 10.7270/Q2FN19JG |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 20
(Homo sapiens (Human)) | BDBM50268015
(CHEMBL4079935)Show SMILES COc1n[nH]c2ncc(cc12)C#Cc1c(F)ccc(NS(=O)(=O)c2cccc(OC)c2)c1F Show InChI InChI=1S/C22H16F2N4O4S/c1-31-14-4-3-5-15(11-14)33(29,30)28-19-9-8-18(23)16(20(19)24)7-6-13-10-17-21(25-12-13)26-27-22(17)32-2/h3-5,8-12,28H,1-2H3,(H,25,26,27) | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.5 | n/a | n/a | n/a | n/a | n/a | n/a |
State Key Laboratory of Quality Research in Chinese Medicine, Institute of Chinese Medical Sciences, University of Macau , Macao, China.
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal GST-tagged recombinant human full-length ZAK expressed in baculovirus infected Sf9 insect cells using MBP as substrate after... |
J Med Chem 60: 5927-5932 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00572
BindingDB Entry DOI: 10.7270/Q29G5Q9V |
More data for this
Ligand-Target Pair | |
Activin receptor type-1
(Homo sapiens (Human)) | BDBM50564976
(CHEMBL4800115)Show SMILES CCCS(=O)(=O)Nc1cc(OC)cc(c1)-c1cc(cnc1N)-c1ccc(cc1)N1CCNCC1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human ALK2 using casein as substrate in presence of 10 uM [gamma33P] ATP by kinase assay |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112417
BindingDB Entry DOI: 10.7270/Q2M0495P |
More data for this
Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM50513773
(CHEMBL3290929)Show SMILES COc1cc2c(Oc3ccc(NC(=O)c4nn(-c5ccccc5)c(=O)cc4C)cc3F)ccnc2cc1OCCCN1CCOCC1 Show InChI InChI=1S/C35H34FN5O6/c1-23-19-33(42)41(25-7-4-3-5-8-25)39-34(23)35(43)38-24-9-10-30(27(36)20-24)47-29-11-12-37-28-22-32(31(44-2)21-26(28)29)46-16-6-13-40-14-17-45-18-15-40/h3-5,7-12,19-22H,6,13-18H2,1-2H3,(H,38,43) | PDB
NCI pathway
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 |
Shenyang Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of FLT3 (unknown origin) |
Bioorg Med Chem Lett 29: (2019)
Article DOI: 10.1016/j.bmcl.2019.126630
BindingDB Entry DOI: 10.7270/Q2FN19JG |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 20
(Homo sapiens (Human)) | BDBM50268017
(CHEMBL4088739)Show SMILES COc1n[nH]c2ncc(cc12)C#Cc1c(F)ccc(NS(=O)(=O)c2cccc(Cl)c2Cl)c1F Show InChI InChI=1S/C21H12Cl2F2N4O3S/c1-32-21-13-9-11(10-26-20(13)27-28-21)5-6-12-15(24)7-8-16(19(12)25)29-33(30,31)17-4-2-3-14(22)18(17)23/h2-4,7-10,29H,1H3,(H,26,27,28) | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 9.60 | n/a | n/a | n/a | n/a | n/a | n/a |
State Key Laboratory of Quality Research in Chinese Medicine, Institute of Chinese Medical Sciences, University of Macau , Macao, China.
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal GST-tagged recombinant human full-length ZAK expressed in baculovirus infected Sf9 insect cells using MBP as substrate after... |
J Med Chem 60: 5927-5932 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00572
BindingDB Entry DOI: 10.7270/Q29G5Q9V |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50147473
(3-(2-Chloro-phenyl)-4-[1-(3-hydroxy-propyl)-1H-pyr...)Show SMILES OCCCn1cc(C2=C(C(=O)NC2=O)c2ccccc2Cl)c2cccnc12 |t:7| Show InChI InChI=1S/C20H16ClN3O3/c21-15-7-2-1-5-13(15)16-17(20(27)23-19(16)26)14-11-24(9-4-10-25)18-12(14)6-3-8-22-18/h1-3,5-8,11,25H,4,9-10H2,(H,23,26,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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| CHEMBL
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UniChem
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| Article
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| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Wuhan Institute of Technology
Curated by ChEMBL
| Assay Description
Inhibition of human protein kinase C eta |
Eur J Med Chem 164: 448-470 (2019)
Article DOI: 10.1016/j.ejmech.2018.12.073
BindingDB Entry DOI: 10.7270/Q2WH2SVB |
More data for this
Ligand-Target Pair | |
Activin receptor type-1
(Homo sapiens (Human)) | BDBM50564977
(CHEMBL4781705)Show SMILES COc1cc(NS(=O)(=O)C(C)C)cc(c1)-c1cc(cnc1N)-c1ccc(cc1)N1CCNCC1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human ALK2 using casein as substrate in presence of 10 uM [gamma33P] ATP by kinase assay |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112417
BindingDB Entry DOI: 10.7270/Q2M0495P |
More data for this
Ligand-Target Pair | |
Receptor-interacting serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM50564997
(CHEMBL4799077)Show SMILES CCCS(=O)(=O)Nc1cc(cc(F)c1OC)-c1cc(cnc1N)-c1cccc(c1)N1CCNCC1 | PDB
UniProtKB/SwissProt
antibodypedia
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human RIPK2 incubated for 2 hr by ADP-Glo assay |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112417
BindingDB Entry DOI: 10.7270/Q2M0495P |
More data for this
Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM21079
(1-[4-(3-amino-1H-indazol-4-yl)phenyl]-3-(2-fluoro-...)Show SMILES Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2cccc3[nH]nc(N)c23)c1 Show InChI InChI=1S/C21H18FN5O/c1-12-5-10-16(22)18(11-12)25-21(28)24-14-8-6-13(7-9-14)15-3-2-4-17-19(15)20(23)27-26-17/h2-11H,1H3,(H3,23,26,27)(H2,24,25,28) | PDB
NCI pathway
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| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2022.116937
BindingDB Entry DOI: 10.7270/Q27S7SRR |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 20
(Homo sapiens (Human)) | BDBM50268014
(CHEMBL4104171)Show SMILES COc1n[nH]c2ncc(cc12)C#Cc1c(F)ccc(NS(=O)(=O)c2cccc(C)c2)c1F Show InChI InChI=1S/C22H16F2N4O3S/c1-13-4-3-5-15(10-13)32(29,30)28-19-9-8-18(23)16(20(19)24)7-6-14-11-17-21(25-12-14)26-27-22(17)31-2/h3-5,8-12,28H,1-2H3,(H,25,26,27) | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
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| PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
State Key Laboratory of Quality Research in Chinese Medicine, Institute of Chinese Medical Sciences, University of Macau , Macao, China.
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal GST-tagged recombinant human full-length ZAK expressed in baculovirus infected Sf9 insect cells using MBP as substrate after... |
J Med Chem 60: 5927-5932 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00572
BindingDB Entry DOI: 10.7270/Q29G5Q9V |
More data for this
Ligand-Target Pair | |
Receptor-interacting serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM50564977
(CHEMBL4781705)Show SMILES COc1cc(NS(=O)(=O)C(C)C)cc(c1)-c1cc(cnc1N)-c1ccc(cc1)N1CCNCC1 | PDB
UniProtKB/SwissProt
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human RIPK2 incubated for 2 hr by ADP-Glo assay |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112417
BindingDB Entry DOI: 10.7270/Q2M0495P |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50147461
(3-[1-(3-Hydroxy-propyl)-1H-pyrrolo[2,3-b]pyridin-3...)Show SMILES OCCCn1cc(C2=C(C(=O)NC2=O)c2ccccc2C(F)(F)F)c2cccnc12 |t:7| Show InChI InChI=1S/C21H16F3N3O3/c22-21(23,24)15-7-2-1-5-13(15)16-17(20(30)26-19(16)29)14-11-27(9-4-10-28)18-12(14)6-3-8-25-18/h1-3,5-8,11,28H,4,9-10H2,(H,26,29,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Wuhan Institute of Technology
Curated by ChEMBL
| Assay Description
Inhibition of human Protein kinase C beta 2 |
Eur J Med Chem 164: 448-470 (2019)
Article DOI: 10.1016/j.ejmech.2018.12.073
BindingDB Entry DOI: 10.7270/Q2WH2SVB |
More data for this
Ligand-Target Pair | |
Receptor-interacting serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM50564976
(CHEMBL4800115)Show SMILES CCCS(=O)(=O)Nc1cc(OC)cc(c1)-c1cc(cnc1N)-c1ccc(cc1)N1CCNCC1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human RIPK2 incubated for 2 hr by ADP-Glo assay |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112417
BindingDB Entry DOI: 10.7270/Q2M0495P |
More data for this
Ligand-Target Pair | |
Receptor-interacting serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM50564987
(CHEMBL4789724)Show SMILES CCCS(=O)(=O)Nc1cc(cc(F)c1OC)-c1cc(cnc1N)-c1ccc(cc1)N1CCNCC1 | PDB
UniProtKB/SwissProt
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 |
TBA
| Assay Description
Inhibition of recombinant human RIPK2 incubated for 2 hr by ADP-Glo assay |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112417
BindingDB Entry DOI: 10.7270/Q2M0495P |
More data for this
Ligand-Target Pair | |
Nucleotide-binding oligomerization domain-containing protein 2
(Homo sapiens (Human)) | BDBM50564997
(CHEMBL4799077)Show SMILES CCCS(=O)(=O)Nc1cc(cc(F)c1OC)-c1cc(cnc1N)-c1cccc(c1)N1CCNCC1 | PDB
Reactome pathway
KEGG
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human NOD2 expressed in HEK293 cells coexpressing NFkappaB-SEAP reporter measured after 7 to 9 hrs by HEKBIue reporter assay |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112417
BindingDB Entry DOI: 10.7270/Q2M0495P |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 20
(Homo sapiens (Human)) | BDBM50268011
(CHEMBL4069195)Show SMILES COc1n[nH]c2ncc(cc12)C#Cc1c(F)ccc(NS(=O)(=O)c2ccc(Cl)cc2)c1F Show InChI InChI=1S/C21H13ClF2N4O3S/c1-31-21-16-10-12(11-25-20(16)26-27-21)2-7-15-17(23)8-9-18(19(15)24)28-32(29,30)14-5-3-13(22)4-6-14/h3-6,8-11,28H,1H3,(H,25,26,27) | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
State Key Laboratory of Quality Research in Chinese Medicine, Institute of Chinese Medical Sciences, University of Macau , Macao, China.
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal GST-tagged recombinant human full-length ZAK expressed in baculovirus infected Sf9 insect cells using MBP as substrate after... |
J Med Chem 60: 5927-5932 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00572
BindingDB Entry DOI: 10.7270/Q29G5Q9V |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50537547
(CHEMBL4645337)Show SMILES CC(C)n1cc(C2=C(C(=O)NC2=O)c2cccc(NC(=O)CF)c2)c2cccnc12 |t:6| Show InChI InChI=1S/C22H19FN4O3/c1-12(2)27-11-16(15-7-4-8-24-20(15)27)19-18(21(29)26-22(19)30)13-5-3-6-14(9-13)25-17(28)10-23/h3-9,11-12H,10H2,1-2H3,(H,25,28)(H,26,29,30) | PDB
MMDB
NCI pathway
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 | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Wuhan Institute of Technology
Curated by ChEMBL
| Assay Description
Inhibition of Protein kinase C alpha |
Eur J Med Chem 164: 448-470 (2019)
Article DOI: 10.1016/j.ejmech.2018.12.073
BindingDB Entry DOI: 10.7270/Q2WH2SVB |
More data for this
Ligand-Target Pair | |
Receptor-interacting serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM50564980
(CHEMBL4792496)Show SMILES CC(C)Oc1cc(NS(=O)(=O)C(C)C)cc(c1)-c1cc(cnc1N)-c1ccc(cc1)N1CCNCC1 | PDB
UniProtKB/SwissProt
antibodypedia
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human RIPK2 incubated for 2 hr by ADP-Glo assay |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112417
BindingDB Entry DOI: 10.7270/Q2M0495P |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 20
(Homo sapiens (Human)) | BDBM50268019
(CHEMBL4080626)Show SMILES COc1n[nH]c2ncc(cc12)C#Cc1c(F)ccc(NS(=O)(=O)c2ccccc2)c1F Show InChI InChI=1S/C21H14F2N4O3S/c1-30-21-16-11-13(12-24-20(16)25-26-21)7-8-15-17(22)9-10-18(19(15)23)27-31(28,29)14-5-3-2-4-6-14/h2-6,9-12,27H,1H3,(H,24,25,26) | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
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| PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
State Key Laboratory of Quality Research in Chinese Medicine, Institute of Chinese Medical Sciences, University of Macau , Macao, China.
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal GST-tagged recombinant human full-length ZAK expressed in baculovirus infected Sf9 insect cells using MBP as substrate after... |
J Med Chem 60: 5927-5932 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00572
BindingDB Entry DOI: 10.7270/Q29G5Q9V |
More data for this
Ligand-Target Pair | |
Receptor-interacting serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM50564984
(CHEMBL4781373)Show SMILES CCCS(=O)(=O)Nc1cc(cc(OC)c1OC)-c1cc(cnc1N)-c1ccc(cc1)N1CCNCC1 | PDB
UniProtKB/SwissProt
antibodypedia
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human RIPK2 incubated for 2 hr by ADP-Glo assay |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112417
BindingDB Entry DOI: 10.7270/Q2M0495P |
More data for this
Ligand-Target Pair | |
Receptor-interacting serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM50564979
(CHEMBL4795976)Show SMILES CCOc1cc(NS(=O)(=O)C(C)C)cc(c1)-c1cc(cnc1N)-c1ccc(cc1)N1CCNCC1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human RIPK2 incubated for 2 hr by ADP-Glo assay |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112417
BindingDB Entry DOI: 10.7270/Q2M0495P |
More data for this
Ligand-Target Pair | |
Receptor-interacting serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM50564988
(CHEMBL4793153)Show SMILES CCCS(=O)(=O)Nc1cc(cc(Cl)c1OC)-c1cc(cnc1N)-c1ccc(cc1)N1CCNCC1 | PDB
UniProtKB/SwissProt
antibodypedia
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human RIPK2 incubated for 2 hr by ADP-Glo assay |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112417
BindingDB Entry DOI: 10.7270/Q2M0495P |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 20
(Homo sapiens (Human)) | BDBM50396483
(PLX-4032 | RG 7204 | Ro 5185426 | US10570155, Vemu...)Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(cc23)-c2ccc(Cl)cc2)c1F Show InChI InChI=1S/C23H18ClF2N3O3S/c1-2-9-33(31,32)29-19-8-7-18(25)20(21(19)26)22(30)17-12-28-23-16(17)10-14(11-27-23)13-3-5-15(24)6-4-13/h3-8,10-12,29H,2,9H2,1H3,(H,27,28) | PDB
NCI pathway
KEGG
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| Purchase
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MCE
PC cid
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PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
State Key Laboratory of Quality Research in Chinese Medicine, Institute of Chinese Medical Sciences, University of Macau , Macao, China.
Curated by ChEMBL
| Assay Description
Inhibition of human ZAK (5 to 309 residues) expressed in baculovirus infected Sf9 insect cells using ZAKtide as substrate after 1 hr by mass spectrom... |
J Med Chem 60: 5927-5932 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00572
BindingDB Entry DOI: 10.7270/Q29G5Q9V |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Mitogen-activated protein kinase kinase kinase 20
(Homo sapiens (Human)) | BDBM50268038
(CHEMBL4060505)Show SMILES Fc1ccc(NS(=O)(=O)c2cccc(Cl)c2)c(F)c1C#Cc1cnc2[nH]ccc2c1 Show InChI InChI=1S/C21H12ClF2N3O2S/c22-15-2-1-3-16(11-15)30(28,29)27-19-7-6-18(23)17(20(19)24)5-4-13-10-14-8-9-25-21(14)26-12-13/h1-3,6-12,27H,(H,25,26) | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
State Key Laboratory of Quality Research in Chinese Medicine, Institute of Chinese Medical Sciences, University of Macau , Macao, China.
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal GST-tagged recombinant human full-length ZAK expressed in baculovirus infected Sf9 insect cells using MBP as substrate after... |
J Med Chem 60: 5927-5932 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00572
BindingDB Entry DOI: 10.7270/Q29G5Q9V |
More data for this
Ligand-Target Pair | |
Receptor-interacting serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM50564978
(CHEMBL4776631)Show SMILES COc1cc(NS(=O)(=O)c2ccccc2)cc(c1)-c1cc(cnc1N)-c1ccc(cc1)N1CCNCC1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human RIPK2 incubated for 2 hr by ADP-Glo assay |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112417
BindingDB Entry DOI: 10.7270/Q2M0495P |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM8575
(4-Acylamino-6-arylfuro[2,3-d]pyrimidine 20 | N-{6-...)Show InChI InChI=1S/C18H17N3O2/c22-17(13-8-4-5-9-13)21-16-14-10-15(12-6-2-1-3-7-12)23-18(14)20-11-19-16/h1-3,6-7,10-11,13H,4-5,8-9H2,(H,19,20,21,22) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
Wuhan Institute of Technology
Curated by ChEMBL
| Assay Description
Inhibition of human Protein kinase C beta 2 |
Eur J Med Chem 164: 448-470 (2019)
Article DOI: 10.1016/j.ejmech.2018.12.073
BindingDB Entry DOI: 10.7270/Q2WH2SVB |
More data for this
Ligand-Target Pair | |
Activin receptor type-1
(Homo sapiens (Human)) | BDBM50056676
(CHEMBL3341789)Show SMILES COc1cc(cc(OC)c1OC)-c1cc(cnc1C)-c1ccc(cc1)N1CCNCC1 Show InChI InChI=1S/C25H29N3O3/c1-17-22(19-14-23(29-2)25(31-4)24(15-19)30-3)13-20(16-27-17)18-5-7-21(8-6-18)28-11-9-26-10-12-28/h5-8,13-16,26H,9-12H2,1-4H3 | PDB
KEGG
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CHEMBL
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PC cid
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| Article
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| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human ALK2 using casein as substrate in presence of 10 uM [gamma33P] ATP by kinase assay |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112417
BindingDB Entry DOI: 10.7270/Q2M0495P |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50147463
(3-(3-Chloro-5-trifluoromethyl-pyridin-2-yl)-4-[1-(...)Show SMILES OCCCn1cc(C2=C(C(=O)NC2=O)c2ncc(cc2Cl)C(F)(F)F)c2cccnc12 |t:7| Show InChI InChI=1S/C20H14ClF3N4O3/c21-13-7-10(20(22,23)24)8-26-16(13)15-14(18(30)27-19(15)31)12-9-28(5-2-6-29)17-11(12)3-1-4-25-17/h1,3-4,7-9,29H,2,5-6H2,(H,27,30,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
Wuhan Institute of Technology
Curated by ChEMBL
| Assay Description
Inhibition of human protein kinase C eta |
Eur J Med Chem 164: 448-470 (2019)
Article DOI: 10.1016/j.ejmech.2018.12.073
BindingDB Entry DOI: 10.7270/Q2WH2SVB |
More data for this
Ligand-Target Pair | |
Nucleotide-binding oligomerization domain-containing protein 2
(Homo sapiens (Human)) | BDBM50564987
(CHEMBL4789724)Show SMILES CCCS(=O)(=O)Nc1cc(cc(F)c1OC)-c1cc(cnc1N)-c1ccc(cc1)N1CCNCC1 | PDB
Reactome pathway
KEGG
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antibodypedia
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PC sid
UniChem
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| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human NOD2 expressed in HEK293 cells coexpressing NFkappaB-SEAP reporter measured after 7 to 9 hrs by HEKBIue reporter assay |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112417
BindingDB Entry DOI: 10.7270/Q2M0495P |
More data for this
Ligand-Target Pair | |
Receptor-interacting serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM50564993
(CHEMBL4782505)Show SMILES CCCS(=O)(=O)Nc1cc(cc(F)c1OC)-c1cncc(c1)-c1ccc(cc1)N1CCNCC1 | PDB
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antibodypedia
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| n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human RIPK2 incubated for 2 hr by ADP-Glo assay |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112417
BindingDB Entry DOI: 10.7270/Q2M0495P |
More data for this
Ligand-Target Pair | |
Activin receptor type-1
(Homo sapiens (Human)) | BDBM50564989
(CHEMBL4781201)Show SMILES COc1cc(cc(F)c1OC)-c1cc(cnc1N)-c1ccc(cc1)N1CCNCC1 | PDB
KEGG
UniProtKB/SwissProt
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PC sid
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| n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human ALK2 using casein as substrate in presence of 10 uM [gamma33P] ATP by kinase assay |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112417
BindingDB Entry DOI: 10.7270/Q2M0495P |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50325986
(3-(6-(3-aminophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-...)Show InChI InChI=1S/C18H14N4O2/c19-12-4-1-3-11(7-12)16-9-15-17(22-16)20-10-21-18(15)24-14-6-2-5-13(23)8-14/h1-10,23H,19H2,(H,20,21,22) | PDB
MMDB
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| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Wuhan Institute of Technology
Curated by ChEMBL
| Assay Description
Inhibition of Protein kinase C eta expressed in Sf-9 cells |
Eur J Med Chem 164: 448-470 (2019)
Article DOI: 10.1016/j.ejmech.2018.12.073
BindingDB Entry DOI: 10.7270/Q2WH2SVB |
More data for this
Ligand-Target Pair | |
Activin receptor type-1
(Homo sapiens (Human)) | BDBM50564971
(CHEMBL4779127)Show SMILES COc1cc(NS(C)(=O)=O)cc(c1)-c1cc(cnc1C)-c1ccc(cc1)N1CCNCC1 | PDB
KEGG
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| PC cid
PC sid
UniChem
| Article
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| n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human ALK2 using casein as substrate in presence of 10 uM [gamma33P] ATP by kinase assay |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112417
BindingDB Entry DOI: 10.7270/Q2M0495P |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50537523
(CHEMBL4643095)Show SMILES NCCCn1cc(C2=C(C(=O)NC2=O)c2cccc3ccccc23)c2cccnc12 |t:7| Show InChI InChI=1S/C24H20N4O2/c25-11-5-13-28-14-19(18-10-4-12-26-22(18)28)21-20(23(29)27-24(21)30)17-9-3-7-15-6-1-2-8-16(15)17/h1-4,6-10,12,14H,5,11,13,25H2,(H,27,29,30) | PDB
MMDB
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| n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
Wuhan Institute of Technology
Curated by ChEMBL
| Assay Description
Inhibition of human Protein kinase C alpha |
Eur J Med Chem 164: 448-470 (2019)
Article DOI: 10.1016/j.ejmech.2018.12.073
BindingDB Entry DOI: 10.7270/Q2WH2SVB |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 20
(Homo sapiens (Human)) | BDBM50396483
(PLX-4032 | RG 7204 | Ro 5185426 | US10570155, Vemu...)Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(cc23)-c2ccc(Cl)cc2)c1F Show InChI InChI=1S/C23H18ClF2N3O3S/c1-2-9-33(31,32)29-19-8-7-18(25)20(21(19)26)22(30)17-12-28-23-16(17)10-14(11-27-23)13-3-5-15(24)6-4-13/h3-8,10-12,29H,2,9H2,1H3,(H,27,28) | PDB
NCI pathway
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Article
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| n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
State Key Laboratory of Quality Research in Chinese Medicine, Institute of Chinese Medical Sciences, University of Macau , Macao, China.
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal GST-tagged recombinant human full-length ZAK expressed in baculovirus infected Sf9 insect cells using MBP as substrate after... |
J Med Chem 60: 5927-5932 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00572
BindingDB Entry DOI: 10.7270/Q29G5Q9V |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM8563
(4-Acylamino-6-arylfuro[2,3-d]pyrimidine 8 | N-[6-(...)Show InChI InChI=1S/C19H19N3O3/c1-24-14-8-6-12(7-9-14)16-10-15-17(20-11-21-19(15)25-16)22-18(23)13-4-2-3-5-13/h6-11,13H,2-5H2,1H3,(H,20,21,22,23) | PDB
MMDB
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KEGG
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GoogleScholar
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| PC cid
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| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
Wuhan Institute of Technology
Curated by ChEMBL
| Assay Description
Inhibition of human protein kinase C eta |
Eur J Med Chem 164: 448-470 (2019)
Article DOI: 10.1016/j.ejmech.2018.12.073
BindingDB Entry DOI: 10.7270/Q2WH2SVB |
More data for this
Ligand-Target Pair | |
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