Found 34 hits with Last Name = 'zahid' and Initial = 'm' 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 |
|---|
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50357312
(IBRUTINIB | PCI-32765 | US10124003, Ref. Ex. Compo...)Show SMILES Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCN(C1)C(=O)C=C Show InChI InChI=1S/C25H24N6O2/c1-2-21(32)30-14-6-7-18(15-30)31-25-22(24(26)27-16-28-25)23(29-31)17-10-12-20(13-11-17)33-19-8-4-3-5-9-19/h2-5,8-13,16,18H,1,6-7,14-15H2,(H2,26,27,28)/t18-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| Purchase
DrugBank
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
PDB
Article
PubMed
| n/a | n/a | 0.210 | n/a | n/a | n/a | n/a | n/a | n/a |
Eppley Institute for Research in Cancer and Allied Diseases
Curated by ChEMBL
| Assay Description
Inhibition of BTK (unknown origin) |
Bioorg Med Chem Lett 28: 3736-3740 (2018)
Article DOI: 10.1016/j.bmcl.2018.10.020
BindingDB Entry DOI: 10.7270/Q26M3B39 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Cyclin-dependent kinase 5
(Homo sapiens (Human)) | BDBM50570973
(CHEMBL4864688)Show SMILES O=C(CCCOc1ccc(CC(=O)Nc2cc([nH]n2)C2CCC2)cc1)NCCCCNc1cccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c12 | 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 | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of CDK5 (unknown origin) |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128061
BindingDB Entry DOI: 10.7270/Q2348Q6B |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 5 activator 1
(Homo sapiens (Human)) | BDBM50506700
(CHEMBL4439395)Show SMILES O=C(Cc1ccc(cc1)-c1ccccc1)Nc1cc([nH]n1)C1CCC1 Show InChI InChI=1S/C21H21N3O/c25-21(22-20-14-19(23-24-20)18-7-4-8-18)13-15-9-11-17(12-10-15)16-5-2-1-3-6-16/h1-3,5-6,9-12,14,18H,4,7-8,13H2,(H2,22,23,24,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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 |
Eppley Institute for Research in Cancer and Allied Diseases
Curated by ChEMBL
| Assay Description
Inhibition of CDK5/p35 (unknown origin) in presence of ATP |
Bioorg Med Chem Lett 28: 3736-3740 (2018)
Article DOI: 10.1016/j.bmcl.2018.10.020
BindingDB Entry DOI: 10.7270/Q26M3B39 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1
(Homo sapiens (Human)) | BDBM50506700
(CHEMBL4439395)Show SMILES O=C(Cc1ccc(cc1)-c1ccccc1)Nc1cc([nH]n1)C1CCC1 Show InChI InChI=1S/C21H21N3O/c25-21(22-20-14-19(23-24-20)18-7-4-8-18)13-15-9-11-17(12-10-15)16-5-2-1-3-6-16/h1-3,5-6,9-12,14,18H,4,7-8,13H2,(H2,22,23,24,25) | PDB
UniProtKB/SwissProt
antibodypedia
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 |
Eppley Institute for Research in Cancer and Allied Diseases
Curated by ChEMBL
| Assay Description
Inhibition of CDK2/CyclinE (unknown origin) in presence of ATP |
Bioorg Med Chem Lett 28: 3736-3740 (2018)
Article DOI: 10.1016/j.bmcl.2018.10.020
BindingDB Entry DOI: 10.7270/Q26M3B39 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 5
(Homo sapiens (Human)) | BDBM50570974
(CHEMBL4846069) | 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 | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of CDK5 (unknown origin) |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128061
BindingDB Entry DOI: 10.7270/Q2348Q6B |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50570974
(CHEMBL4846069) | 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 | 44 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of CDK2 (unknown origin) |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128061
BindingDB Entry DOI: 10.7270/Q2348Q6B |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50570973
(CHEMBL4864688)Show SMILES O=C(CCCOc1ccc(CC(=O)Nc2cc([nH]n2)C2CCC2)cc1)NCCCCNc1cccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c12 | 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 | 155 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of CDK2 (unknown origin) |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128061
BindingDB Entry DOI: 10.7270/Q2348Q6B |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50309910
(CHEMBL608154 | ML-120B | N-(6-chloro-7-methoxy-9H-...)Show SMILES COc1c(Cl)cc2c3ccncc3[nH]c2c1NC(=O)c1cccnc1C Show InChI InChI=1S/C19H15ClN4O2/c1-10-11(4-3-6-22-10)19(25)24-17-16-13(8-14(20)18(17)26-2)12-5-7-21-9-15(12)23-16/h3-9,23H,1-2H3,(H,24,25) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 465 | n/a | n/a | n/a | n/a | n/a | n/a |
Eppley Institute for Research in Cancer and Allied Diseases
Curated by ChEMBL
| Assay Description
Inhibition of IKKbeta (unknown origin) |
Bioorg Med Chem Lett 28: 3736-3740 (2018)
Article DOI: 10.1016/j.bmcl.2018.10.020
BindingDB Entry DOI: 10.7270/Q26M3B39 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM50570973
(CHEMBL4864688)Show SMILES O=C(CCCOc1ccc(CC(=O)Nc2cc([nH]n2)C2CCC2)cc1)NCCCCNc1cccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c12 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 530 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of CDK9 (unknown origin) |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128061
BindingDB Entry DOI: 10.7270/Q2348Q6B |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM50506700
(CHEMBL4439395)Show SMILES O=C(Cc1ccc(cc1)-c1ccccc1)Nc1cc([nH]n1)C1CCC1 Show InChI InChI=1S/C21H21N3O/c25-21(22-20-14-19(23-24-20)18-7-4-8-18)13-15-9-11-17(12-10-15)16-5-2-1-3-6-16/h1-3,5-6,9-12,14,18H,4,7-8,13H2,(H2,22,23,24,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 911 | n/a | n/a | n/a | n/a | n/a | n/a |
Eppley Institute for Research in Cancer and Allied Diseases
Curated by ChEMBL
| Assay Description
Inhibition of CDK9 (unknown origin) |
Bioorg Med Chem Lett 28: 3736-3740 (2018)
Article DOI: 10.1016/j.bmcl.2018.10.020
BindingDB Entry DOI: 10.7270/Q26M3B39 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM50570974
(CHEMBL4846069) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.08E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of CDK9 (unknown origin) |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128061
BindingDB Entry DOI: 10.7270/Q2348Q6B |
More data for this
Ligand-Target Pair | |
Rap guanine nucleotide exchange factor 3
(Homo sapiens (Human)) | BDBM50280395
(CHEMBL4171480)Show InChI InChI=1S/C11H10Br2FNO/c1-6-2-3-7-9(15(6)5-16)4-8(12)11(14)10(7)13/h4-6H,2-3H2,1H3/t6-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute for Research in Cancer and Allied Diseases
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human GST-tagged EPAC1 (149 to 881 residues) expressed in Escherichia coli Rosetta 2(DE3) assessed as reduction in guanine ... |
ACS Med Chem Lett 8: 1183-1187 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00358
BindingDB Entry DOI: 10.7270/Q20C4Z83 |
More data for this
Ligand-Target Pair | |
Leucine-rich repeat serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM50506700
(CHEMBL4439395)Show SMILES O=C(Cc1ccc(cc1)-c1ccccc1)Nc1cc([nH]n1)C1CCC1 Show InChI InChI=1S/C21H21N3O/c25-21(22-20-14-19(23-24-20)18-7-4-8-18)13-15-9-11-17(12-10-15)16-5-2-1-3-6-16/h1-3,5-6,9-12,14,18H,4,7-8,13H2,(H2,22,23,24,25) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Eppley Institute for Research in Cancer and Allied Diseases
Curated by ChEMBL
| Assay Description
Inhibition of LRRK2 (unknown origin) |
Bioorg Med Chem Lett 28: 3736-3740 (2018)
Article DOI: 10.1016/j.bmcl.2018.10.020
BindingDB Entry DOI: 10.7270/Q26M3B39 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ITK/TSK
(Homo sapiens (Human)) | BDBM50506700
(CHEMBL4439395)Show SMILES O=C(Cc1ccc(cc1)-c1ccccc1)Nc1cc([nH]n1)C1CCC1 Show InChI InChI=1S/C21H21N3O/c25-21(22-20-14-19(23-24-20)18-7-4-8-18)13-15-9-11-17(12-10-15)16-5-2-1-3-6-16/h1-3,5-6,9-12,14,18H,4,7-8,13H2,(H2,22,23,24,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Eppley Institute for Research in Cancer and Allied Diseases
Curated by ChEMBL
| Assay Description
Inhibition of ITK (unknown origin) |
Bioorg Med Chem Lett 28: 3736-3740 (2018)
Article DOI: 10.1016/j.bmcl.2018.10.020
BindingDB Entry DOI: 10.7270/Q26M3B39 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50506700
(CHEMBL4439395)Show SMILES O=C(Cc1ccc(cc1)-c1ccccc1)Nc1cc([nH]n1)C1CCC1 Show InChI InChI=1S/C21H21N3O/c25-21(22-20-14-19(23-24-20)18-7-4-8-18)13-15-9-11-17(12-10-15)16-5-2-1-3-6-16/h1-3,5-6,9-12,14,18H,4,7-8,13H2,(H2,22,23,24,25) | 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 | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Eppley Institute for Research in Cancer and Allied Diseases
Curated by ChEMBL
| Assay Description
Inhibition of BTK (unknown origin) |
Bioorg Med Chem Lett 28: 3736-3740 (2018)
Article DOI: 10.1016/j.bmcl.2018.10.020
BindingDB Entry DOI: 10.7270/Q26M3B39 |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50506700
(CHEMBL4439395)Show SMILES O=C(Cc1ccc(cc1)-c1ccccc1)Nc1cc([nH]n1)C1CCC1 Show InChI InChI=1S/C21H21N3O/c25-21(22-20-14-19(23-24-20)18-7-4-8-18)13-15-9-11-17(12-10-15)16-5-2-1-3-6-16/h1-3,5-6,9-12,14,18H,4,7-8,13H2,(H2,22,23,24,25) | 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 | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Eppley Institute for Research in Cancer and Allied Diseases
Curated by ChEMBL
| Assay Description
Inhibition of IKKbeta (unknown origin) |
Bioorg Med Chem Lett 28: 3736-3740 (2018)
Article DOI: 10.1016/j.bmcl.2018.10.020
BindingDB Entry DOI: 10.7270/Q26M3B39 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 12
(Homo sapiens (Human)) | BDBM50506700
(CHEMBL4439395)Show SMILES O=C(Cc1ccc(cc1)-c1ccccc1)Nc1cc([nH]n1)C1CCC1 Show InChI InChI=1S/C21H21N3O/c25-21(22-20-14-19(23-24-20)18-7-4-8-18)13-15-9-11-17(12-10-15)16-5-2-1-3-6-16/h1-3,5-6,9-12,14,18H,4,7-8,13H2,(H2,22,23,24,25) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Eppley Institute for Research in Cancer and Allied Diseases
Curated by ChEMBL
| Assay Description
Inhibition of DLK (unknown origin) |
Bioorg Med Chem Lett 28: 3736-3740 (2018)
Article DOI: 10.1016/j.bmcl.2018.10.020
BindingDB Entry DOI: 10.7270/Q26M3B39 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50506700
(CHEMBL4439395)Show SMILES O=C(Cc1ccc(cc1)-c1ccccc1)Nc1cc([nH]n1)C1CCC1 Show InChI InChI=1S/C21H21N3O/c25-21(22-20-14-19(23-24-20)18-7-4-8-18)13-15-9-11-17(12-10-15)16-5-2-1-3-6-16/h1-3,5-6,9-12,14,18H,4,7-8,13H2,(H2,22,23,24,25) | 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 | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Eppley Institute for Research in Cancer and Allied Diseases
Curated by ChEMBL
| Assay Description
Inhibition of MAPK14 (unknown origin) after 22 mins by homogeneous time-resolved fluorescence assay |
Bioorg Med Chem Lett 28: 3736-3740 (2018)
Article DOI: 10.1016/j.bmcl.2018.10.020
BindingDB Entry DOI: 10.7270/Q26M3B39 |
More data for this
Ligand-Target Pair | |
High affinity nerve growth factor receptor
(Homo sapiens (Human)) | BDBM50506700
(CHEMBL4439395)Show SMILES O=C(Cc1ccc(cc1)-c1ccccc1)Nc1cc([nH]n1)C1CCC1 Show InChI InChI=1S/C21H21N3O/c25-21(22-20-14-19(23-24-20)18-7-4-8-18)13-15-9-11-17(12-10-15)16-5-2-1-3-6-16/h1-3,5-6,9-12,14,18H,4,7-8,13H2,(H2,22,23,24,25) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Eppley Institute for Research in Cancer and Allied Diseases
Curated by ChEMBL
| Assay Description
Inhibition of TRKA (unknown origin) |
Bioorg Med Chem Lett 28: 3736-3740 (2018)
Article DOI: 10.1016/j.bmcl.2018.10.020
BindingDB Entry DOI: 10.7270/Q26M3B39 |
More data for this
Ligand-Target Pair | |
Aurora kinase B
(Homo sapiens (Human)) | BDBM50506700
(CHEMBL4439395)Show SMILES O=C(Cc1ccc(cc1)-c1ccccc1)Nc1cc([nH]n1)C1CCC1 Show InChI InChI=1S/C21H21N3O/c25-21(22-20-14-19(23-24-20)18-7-4-8-18)13-15-9-11-17(12-10-15)16-5-2-1-3-6-16/h1-3,5-6,9-12,14,18H,4,7-8,13H2,(H2,22,23,24,25) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Eppley Institute for Research in Cancer and Allied Diseases
Curated by ChEMBL
| Assay Description
Inhibition of Aurora B (unknown origin) |
Bioorg Med Chem Lett 28: 3736-3740 (2018)
Article DOI: 10.1016/j.bmcl.2018.10.020
BindingDB Entry DOI: 10.7270/Q26M3B39 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 10
(Homo sapiens (Human)) | BDBM50506700
(CHEMBL4439395)Show SMILES O=C(Cc1ccc(cc1)-c1ccccc1)Nc1cc([nH]n1)C1CCC1 Show InChI InChI=1S/C21H21N3O/c25-21(22-20-14-19(23-24-20)18-7-4-8-18)13-15-9-11-17(12-10-15)16-5-2-1-3-6-16/h1-3,5-6,9-12,14,18H,4,7-8,13H2,(H2,22,23,24,25) | 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 | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Eppley Institute for Research in Cancer and Allied Diseases
Curated by ChEMBL
| Assay Description
Inhibition of JNK3 (unknown origin) after 22 mins by homogeneous time-resolved fluorescence assay |
Bioorg Med Chem Lett 28: 3736-3740 (2018)
Article DOI: 10.1016/j.bmcl.2018.10.020
BindingDB Entry DOI: 10.7270/Q26M3B39 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PAK 1
(Homo sapiens (Human)) | BDBM50506700
(CHEMBL4439395)Show SMILES O=C(Cc1ccc(cc1)-c1ccccc1)Nc1cc([nH]n1)C1CCC1 Show InChI InChI=1S/C21H21N3O/c25-21(22-20-14-19(23-24-20)18-7-4-8-18)13-15-9-11-17(12-10-15)16-5-2-1-3-6-16/h1-3,5-6,9-12,14,18H,4,7-8,13H2,(H2,22,23,24,25) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Eppley Institute for Research in Cancer and Allied Diseases
Curated by ChEMBL
| Assay Description
Inhibition of PAK1 (unknown origin) |
Bioorg Med Chem Lett 28: 3736-3740 (2018)
Article DOI: 10.1016/j.bmcl.2018.10.020
BindingDB Entry DOI: 10.7270/Q26M3B39 |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50506700
(CHEMBL4439395)Show SMILES O=C(Cc1ccc(cc1)-c1ccccc1)Nc1cc([nH]n1)C1CCC1 Show InChI InChI=1S/C21H21N3O/c25-21(22-20-14-19(23-24-20)18-7-4-8-18)13-15-9-11-17(12-10-15)16-5-2-1-3-6-16/h1-3,5-6,9-12,14,18H,4,7-8,13H2,(H2,22,23,24,25) | 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 | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Eppley Institute for Research in Cancer and Allied Diseases
Curated by ChEMBL
| Assay Description
Inhibition of Aurora A (unknown origin) |
Bioorg Med Chem Lett 28: 3736-3740 (2018)
Article DOI: 10.1016/j.bmcl.2018.10.020
BindingDB Entry DOI: 10.7270/Q26M3B39 |
More data for this
Ligand-Target Pair | |
Rap guanine nucleotide exchange factor 4
(Homo sapiens (Human)) | BDBM50280396
(CHEMBL4160863)Show InChI InChI=1S/C11H10Br2FNO/c1-6-2-3-7-9(15(6)5-16)4-8(12)11(14)10(7)13/h4-6H,2-3H2,1H3/t6-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.71E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute for Research in Cancer and Allied Diseases
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human GST-tagged EPAC2 expressed in Escherichia coli Rosetta 2(DE3) assessed as reduction in guanine nucleotide exchange ac... |
ACS Med Chem Lett 8: 1183-1187 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00358
BindingDB Entry DOI: 10.7270/Q20C4Z83 |
More data for this
Ligand-Target Pair | |
Rap guanine nucleotide exchange factor 3
(Homo sapiens (Human)) | BDBM50280394
(CHEMBL4168137)Show InChI InChI=1S/C11H10Br2FNS/c1-6-2-3-7-9(15(6)5-16)4-8(12)11(14)10(7)13/h4-6H,2-3H2,1H3/t6-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.76E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute for Research in Cancer and Allied Diseases
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human GST-tagged EPAC1 (149 to 881 residues) expressed in Escherichia coli Rosetta 2(DE3) assessed as reduction in guanine ... |
ACS Med Chem Lett 8: 1183-1187 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00358
BindingDB Entry DOI: 10.7270/Q20C4Z83 |
More data for this
Ligand-Target Pair | |
Rap guanine nucleotide exchange factor 4
(Homo sapiens (Human)) | BDBM50280395
(CHEMBL4171480)Show InChI InChI=1S/C11H10Br2FNO/c1-6-2-3-7-9(15(6)5-16)4-8(12)11(14)10(7)13/h4-6H,2-3H2,1H3/t6-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.23E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute for Research in Cancer and Allied Diseases
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human GST-tagged EPAC2 expressed in Escherichia coli Rosetta 2(DE3) assessed as reduction in guanine nucleotide exchange ac... |
ACS Med Chem Lett 8: 1183-1187 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00358
BindingDB Entry DOI: 10.7270/Q20C4Z83 |
More data for this
Ligand-Target Pair | |
Rap guanine nucleotide exchange factor 3
(Homo sapiens (Human)) | BDBM50280396
(CHEMBL4160863)Show InChI InChI=1S/C11H10Br2FNO/c1-6-2-3-7-9(15(6)5-16)4-8(12)11(14)10(7)13/h4-6H,2-3H2,1H3/t6-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.13E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute for Research in Cancer and Allied Diseases
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human GST-tagged EPAC1 (149 to 881 residues) expressed in Escherichia coli Rosetta 2(DE3) assessed as reduction in guanine ... |
ACS Med Chem Lett 8: 1183-1187 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00358
BindingDB Entry DOI: 10.7270/Q20C4Z83 |
More data for this
Ligand-Target Pair | |
Rap guanine nucleotide exchange factor 3
(Homo sapiens (Human)) | BDBM50280397
(CHEMBL4175985)Show InChI InChI=1S/C11H10Br2FNS/c1-6-2-3-7-9(15(6)5-16)4-8(12)11(14)10(7)13/h4-6H,2-3H2,1H3/t6-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute for Research in Cancer and Allied Diseases
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human GST-tagged EPAC1 (149 to 881 residues) expressed in Escherichia coli Rosetta 2(DE3) assessed as reduction in guanine ... |
ACS Med Chem Lett 8: 1183-1187 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00358
BindingDB Entry DOI: 10.7270/Q20C4Z83 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM50570974
(CHEMBL4846069) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 1.07E+3 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to CDK9 (unknown origin) |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128061
BindingDB Entry DOI: 10.7270/Q2348Q6B |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50570973
(CHEMBL4864688)Show SMILES O=C(CCCOc1ccc(CC(=O)Nc2cc([nH]n2)C2CCC2)cc1)NCCCCNc1cccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c12 | 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 | n/a | 385 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to CDK2 (unknown origin) |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128061
BindingDB Entry DOI: 10.7270/Q2348Q6B |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50570974
(CHEMBL4846069) | 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 | n/a | 135 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to CDK2 (unknown origin) |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128061
BindingDB Entry DOI: 10.7270/Q2348Q6B |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 5
(Homo sapiens (Human)) | BDBM50570973
(CHEMBL4864688)Show SMILES O=C(CCCOc1ccc(CC(=O)Nc2cc([nH]n2)C2CCC2)cc1)NCCCCNc1cccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c12 | 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 | n/a | 815 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to CDK5 (unknown origin) |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128061
BindingDB Entry DOI: 10.7270/Q2348Q6B |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 5
(Homo sapiens (Human)) | BDBM50570974
(CHEMBL4846069) | 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 | n/a | 230 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to CDK5 (unknown origin) |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128061
BindingDB Entry DOI: 10.7270/Q2348Q6B |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM50570973
(CHEMBL4864688)Show SMILES O=C(CCCOc1ccc(CC(=O)Nc2cc([nH]n2)C2CCC2)cc1)NCCCCNc1cccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c12 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 1.06E+3 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to CDK9 (unknown origin) |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128061
BindingDB Entry DOI: 10.7270/Q2348Q6B |
More data for this
Ligand-Target Pair | |
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