Found 224 hits with Last Name = 'smith' and Initial = 'ma' 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 |
|---|
Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1
(Homo sapiens (Human)) | BDBM12621
(2,4-Diamino-5-ketopyrimidine 39 | 5-[(2,3-difluoro...)Show SMILES COc1ccc(F)c(F)c1C(=O)c1cnc(NC2CCN(CC2)S(C)(=O)=O)nc1N Show InChI InChI=1S/C18H21F2N5O4S/c1-29-13-4-3-12(19)15(20)14(13)16(26)11-9-22-18(24-17(11)21)23-10-5-7-25(8-6-10)30(2,27)28/h3-4,9-10H,5-8H2,1-2H3,(H3,21,22,23,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
| Purchase
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
| Assay Description
Enzymes were assayed with retinoblastoma substrate in 384-well plates containing diluted test compounds. Final ATP concentration was 3x the respectiv... |
J Med Chem 49: 6549-60 (2006)
Article DOI: 10.1021/jm0606138
BindingDB Entry DOI: 10.7270/Q2QR4VB2 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1
(Homo sapiens (Human)) | BDBM12623
(2,4-Diamino-5-ketopyrimidine 41 | 2-N-(1-methanesu...)Show SMILES COc1cc(F)c(F)c(F)c1C(=O)c1cnc(NC2CCN(CC2)S(C)(=O)=O)nc1N Show InChI InChI=1S/C18H20F3N5O4S/c1-30-12-7-11(19)14(20)15(21)13(12)16(27)10-8-23-18(25-17(10)22)24-9-3-5-26(6-4-9)31(2,28)29/h7-9H,3-6H2,1-2H3,(H3,22,23,24,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
| Assay Description
Enzymes were assayed with retinoblastoma substrate in 384-well plates containing diluted test compounds. Final ATP concentration was 3x the respectiv... |
J Med Chem 49: 6549-60 (2006)
Article DOI: 10.1021/jm0606138
BindingDB Entry DOI: 10.7270/Q2QR4VB2 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1
(Homo sapiens (Human)) | BDBM12621
(2,4-Diamino-5-ketopyrimidine 39 | 5-[(2,3-difluoro...)Show SMILES COc1ccc(F)c(F)c1C(=O)c1cnc(NC2CCN(CC2)S(C)(=O)=O)nc1N Show InChI InChI=1S/C18H21F2N5O4S/c1-29-13-4-3-12(19)15(20)14(13)16(26)11-9-22-18(24-17(11)21)23-10-5-7-25(8-6-10)30(2,27)28/h3-4,9-10H,5-8H2,1-2H3,(H3,21,22,23,24) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| Purchase
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
| Assay Description
Enzymes were assayed with retinoblastoma substrate in 384-well plates containing diluted test compounds. Final ATP concentration was 3x the respectiv... |
J Med Chem 49: 6549-60 (2006)
Article DOI: 10.1021/jm0606138
BindingDB Entry DOI: 10.7270/Q2QR4VB2 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1
(Homo sapiens (Human)) | BDBM12623
(2,4-Diamino-5-ketopyrimidine 41 | 2-N-(1-methanesu...)Show SMILES COc1cc(F)c(F)c(F)c1C(=O)c1cnc(NC2CCN(CC2)S(C)(=O)=O)nc1N Show InChI InChI=1S/C18H20F3N5O4S/c1-30-12-7-11(19)14(20)15(21)13(12)16(27)10-8-23-18(25-17(10)22)24-9-3-5-26(6-4-9)31(2,28)29/h7-9H,3-6H2,1-2H3,(H3,22,23,24,25) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
| Assay Description
Enzymes were assayed with retinoblastoma substrate in 384-well plates containing diluted test compounds. Final ATP concentration was 3x the respectiv... |
J Med Chem 49: 6549-60 (2006)
Article DOI: 10.1021/jm0606138
BindingDB Entry DOI: 10.7270/Q2QR4VB2 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1
(Homo sapiens (Human)) | BDBM12621
(2,4-Diamino-5-ketopyrimidine 39 | 5-[(2,3-difluoro...)Show SMILES COc1ccc(F)c(F)c1C(=O)c1cnc(NC2CCN(CC2)S(C)(=O)=O)nc1N Show InChI InChI=1S/C18H21F2N5O4S/c1-29-13-4-3-12(19)15(20)14(13)16(26)11-9-22-18(24-17(11)21)23-10-5-7-25(8-6-10)30(2,27)28/h3-4,9-10H,5-8H2,1-2H3,(H3,21,22,23,24) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| Purchase
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
| Assay Description
Enzymes were assayed with retinoblastoma substrate in 384-well plates containing diluted test compounds. Final ATP concentration was 3x the respectiv... |
J Med Chem 49: 6549-60 (2006)
Article DOI: 10.1021/jm0606138
BindingDB Entry DOI: 10.7270/Q2QR4VB2 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1
(Homo sapiens (Human)) | BDBM12619
(2,4-Diamino-5-ketopyrimidine 37 | 5-[(2-fluoro-6-m...)Show SMILES COc1cccc(F)c1C(=O)c1cnc(NC2CCN(CC2)S(C)(=O)=O)nc1N Show InChI InChI=1S/C18H22FN5O4S/c1-28-14-5-3-4-13(19)15(14)16(25)12-10-21-18(23-17(12)20)22-11-6-8-24(9-7-11)29(2,26)27/h3-5,10-11H,6-9H2,1-2H3,(H3,20,21,22,23) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
| Assay Description
Enzymes were assayed with retinoblastoma substrate in 384-well plates containing diluted test compounds. Final ATP concentration was 3x the respectiv... |
J Med Chem 49: 6549-60 (2006)
Article DOI: 10.1021/jm0606138
BindingDB Entry DOI: 10.7270/Q2QR4VB2 |
More data for this
Ligand-Target Pair | |
Transporter
(Rattus norvegicus (rat)) | BDBM84745
(CAS_136434-34-9 | DULOXETINE | LY-248686 | LY24868...)Show InChI InChI=1S/C18H19NOS/c1-19-12-11-17(18-10-5-13-21-18)20-16-9-4-7-14-6-2-3-8-15(14)16/h2-10,13,17,19H,11-12H2,1H3/t17-/m0/s1 | Reactome pathway
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| Purchase
DrugBank
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| 3.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AMRI
Curated by ChEMBL
| Assay Description
Inhibition of rat NET |
Bioorg Med Chem Lett 22: 7219-22 (2012)
Article DOI: 10.1016/j.bmcl.2012.09.050
BindingDB Entry DOI: 10.7270/Q20K29QC |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50401743
(CHEMBL2206526)Show InChI InChI=1S/C17H18FN/c1-12-7-8-13(9-17(12)18)16-11-19(2)10-14-5-3-4-6-15(14)16/h3-9,16H,10-11H2,1-2H3 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AMRI
Curated by ChEMBL
| Assay Description
Inhibition of human NET |
Bioorg Med Chem Lett 22: 7219-22 (2012)
Article DOI: 10.1016/j.bmcl.2012.09.050
BindingDB Entry DOI: 10.7270/Q20K29QC |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1
(Homo sapiens (Human)) | BDBM12623
(2,4-Diamino-5-ketopyrimidine 41 | 2-N-(1-methanesu...)Show SMILES COc1cc(F)c(F)c(F)c1C(=O)c1cnc(NC2CCN(CC2)S(C)(=O)=O)nc1N Show InChI InChI=1S/C18H20F3N5O4S/c1-30-12-7-11(19)14(20)15(21)13(12)16(27)10-8-23-18(25-17(10)22)24-9-3-5-26(6-4-9)31(2,28)29/h7-9H,3-6H2,1-2H3,(H3,22,23,24,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
| Assay Description
Enzymes were assayed with retinoblastoma substrate in 384-well plates containing diluted test compounds. Final ATP concentration was 3x the respectiv... |
J Med Chem 49: 6549-60 (2006)
Article DOI: 10.1021/jm0606138
BindingDB Entry DOI: 10.7270/Q2QR4VB2 |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50401732
(CHEMBL2206507)Show InChI InChI=1S/C17H18ClN/c1-12-6-7-16-14(8-12)10-19(2)11-17(16)13-4-3-5-15(18)9-13/h3-9,17H,10-11H2,1-2H3 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AMRI
Curated by ChEMBL
| Assay Description
Inhibition of human NET |
Bioorg Med Chem Lett 22: 7219-22 (2012)
Article DOI: 10.1016/j.bmcl.2012.09.050
BindingDB Entry DOI: 10.7270/Q20K29QC |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50401731
(CHEMBL2206508)Show InChI InChI=1S/C17H17F2N/c1-11-3-4-16-13(5-11)9-20(2)10-17(16)12-6-14(18)8-15(19)7-12/h3-8,17H,9-10H2,1-2H3 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AMRI
Curated by ChEMBL
| Assay Description
Inhibition of human NET |
Bioorg Med Chem Lett 22: 7219-22 (2012)
Article DOI: 10.1016/j.bmcl.2012.09.050
BindingDB Entry DOI: 10.7270/Q20K29QC |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM84745
(CAS_136434-34-9 | DULOXETINE | LY-248686 | LY24868...)Show InChI InChI=1S/C18H19NOS/c1-19-12-11-17(18-10-5-13-21-18)20-16-9-4-7-14-6-2-3-8-15(14)16/h2-10,13,17,19H,11-12H2,1H3/t17-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
DrugBank
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
Article
PubMed
| 5.97 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AMRI
Curated by ChEMBL
| Assay Description
Inhibition of human NET |
Bioorg Med Chem Lett 22: 7219-22 (2012)
Article DOI: 10.1016/j.bmcl.2012.09.050
BindingDB Entry DOI: 10.7270/Q20K29QC |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1
(Homo sapiens (Human)) | BDBM12622
(2,4-Diamino-5-ketopyrimidine 40 | 5-[(4,5-difluoro...)Show SMILES COc1cc(F)c(F)cc1C(=O)c1cnc(NC2CCN(CC2)S(C)(=O)=O)nc1N Show InChI InChI=1S/C18H21F2N5O4S/c1-29-15-8-14(20)13(19)7-11(15)16(26)12-9-22-18(24-17(12)21)23-10-3-5-25(6-4-10)30(2,27)28/h7-10H,3-6H2,1-2H3,(H3,21,22,23,24) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
| Assay Description
Enzymes were assayed with retinoblastoma substrate in 384-well plates containing diluted test compounds. Final ATP concentration was 3x the respectiv... |
J Med Chem 49: 6549-60 (2006)
Article DOI: 10.1021/jm0606138
BindingDB Entry DOI: 10.7270/Q2QR4VB2 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1
(Homo sapiens (Human)) | BDBM12622
(2,4-Diamino-5-ketopyrimidine 40 | 5-[(4,5-difluoro...)Show SMILES COc1cc(F)c(F)cc1C(=O)c1cnc(NC2CCN(CC2)S(C)(=O)=O)nc1N Show InChI InChI=1S/C18H21F2N5O4S/c1-29-15-8-14(20)13(19)7-11(15)16(26)12-9-22-18(24-17(12)21)23-10-3-5-25(6-4-10)30(2,27)28/h7-10H,3-6H2,1-2H3,(H3,21,22,23,24) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
| Assay Description
Enzymes were assayed with retinoblastoma substrate in 384-well plates containing diluted test compounds. Final ATP concentration was 3x the respectiv... |
J Med Chem 49: 6549-60 (2006)
Article DOI: 10.1021/jm0606138
BindingDB Entry DOI: 10.7270/Q2QR4VB2 |
More data for this
Ligand-Target Pair | |
Transporter
(Rattus norvegicus (rat)) | BDBM50401730
(CHEMBL2206509)Show InChI InChI=1S/C17H18FN/c1-12-3-8-16-14(9-12)10-19(2)11-17(16)13-4-6-15(18)7-5-13/h3-9,17H,10-11H2,1-2H3/t17-/m0/s1 | Reactome pathway
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AMRI
Curated by ChEMBL
| Assay Description
Inhibition of rat NET |
Bioorg Med Chem Lett 22: 7219-22 (2012)
Article DOI: 10.1016/j.bmcl.2012.09.050
BindingDB Entry DOI: 10.7270/Q20K29QC |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1
(Homo sapiens (Human)) | BDBM12617
(2,4-Diamino-5-ketopyrimidine 35 | 5-[(5-fluoro-2-m...)Show SMILES COc1ccc(F)cc1C(=O)c1cnc(NC2CCN(CC2)S(C)(=O)=O)nc1N Show InChI InChI=1S/C18H22FN5O4S/c1-28-15-4-3-11(19)9-13(15)16(25)14-10-21-18(23-17(14)20)22-12-5-7-24(8-6-12)29(2,26)27/h3-4,9-10,12H,5-8H2,1-2H3,(H3,20,21,22,23) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
| Assay Description
Enzymes were assayed with retinoblastoma substrate in 384-well plates containing diluted test compounds. Final ATP concentration was 3x the respectiv... |
J Med Chem 49: 6549-60 (2006)
Article DOI: 10.1021/jm0606138
BindingDB Entry DOI: 10.7270/Q2QR4VB2 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1
(Homo sapiens (Human)) | BDBM12617
(2,4-Diamino-5-ketopyrimidine 35 | 5-[(5-fluoro-2-m...)Show SMILES COc1ccc(F)cc1C(=O)c1cnc(NC2CCN(CC2)S(C)(=O)=O)nc1N Show InChI InChI=1S/C18H22FN5O4S/c1-28-15-4-3-11(19)9-13(15)16(25)14-10-21-18(23-17(14)20)22-12-5-7-24(8-6-12)29(2,26)27/h3-4,9-10,12H,5-8H2,1-2H3,(H3,20,21,22,23) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
| Assay Description
Enzymes were assayed with retinoblastoma substrate in 384-well plates containing diluted test compounds. Final ATP concentration was 3x the respectiv... |
J Med Chem 49: 6549-60 (2006)
Article DOI: 10.1021/jm0606138
BindingDB Entry DOI: 10.7270/Q2QR4VB2 |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50401730
(CHEMBL2206509)Show InChI InChI=1S/C17H18FN/c1-12-3-8-16-14(9-12)10-19(2)11-17(16)13-4-6-15(18)7-5-13/h3-9,17H,10-11H2,1-2H3/t17-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 7.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AMRI
Curated by ChEMBL
| Assay Description
Inhibition of human NET |
Bioorg Med Chem Lett 22: 7219-22 (2012)
Article DOI: 10.1016/j.bmcl.2012.09.050
BindingDB Entry DOI: 10.7270/Q20K29QC |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50401744
(CHEMBL2206525)Show InChI InChI=1S/C16H15ClFN/c1-19-9-12-4-2-3-5-13(12)14(10-19)11-6-7-15(17)16(18)8-11/h2-8,14H,9-10H2,1H3 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 7.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AMRI
Curated by ChEMBL
| Assay Description
Inhibition of human NET |
Bioorg Med Chem Lett 22: 7219-22 (2012)
Article DOI: 10.1016/j.bmcl.2012.09.050
BindingDB Entry DOI: 10.7270/Q20K29QC |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50401737
(CHEMBL2206532)Show InChI InChI=1S/C18H21NO/c1-13-5-4-6-14(9-13)18-12-19(2)11-15-10-16(20-3)7-8-17(15)18/h4-10,18H,11-12H2,1-3H3 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 7.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AMRI
Curated by ChEMBL
| Assay Description
Inhibition of human NET |
Bioorg Med Chem Lett 22: 7219-22 (2012)
Article DOI: 10.1016/j.bmcl.2012.09.050
BindingDB Entry DOI: 10.7270/Q20K29QC |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50401738
(CHEMBL2206531)Show InChI InChI=1S/C17H17F2NO/c1-20-9-12-7-13(21-2)4-5-14(12)15(10-20)11-3-6-16(18)17(19)8-11/h3-8,15H,9-10H2,1-2H3 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AMRI
Curated by ChEMBL
| Assay Description
Inhibition of human NET |
Bioorg Med Chem Lett 22: 7219-22 (2012)
Article DOI: 10.1016/j.bmcl.2012.09.050
BindingDB Entry DOI: 10.7270/Q20K29QC |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50401740
(CHEMBL2206529)Show InChI InChI=1S/C18H21N/c1-13-7-9-15(10-8-13)18-12-19(3)11-17-14(2)5-4-6-16(17)18/h4-10,18H,11-12H2,1-3H3 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 10.6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AMRI
Curated by ChEMBL
| Assay Description
Inhibition of DAT |
Bioorg Med Chem Lett 22: 7219-22 (2012)
Article DOI: 10.1016/j.bmcl.2012.09.050
BindingDB Entry DOI: 10.7270/Q20K29QC |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50401716
(CHEMBL2206524)Show InChI InChI=1S/C16H15F2N/c1-19-9-12-4-2-3-5-13(12)14(10-19)11-6-7-15(17)16(18)8-11/h2-8,14H,9-10H2,1H3 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 12.3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AMRI
Curated by ChEMBL
| Assay Description
Inhibition of human NET |
Bioorg Med Chem Lett 22: 7219-22 (2012)
Article DOI: 10.1016/j.bmcl.2012.09.050
BindingDB Entry DOI: 10.7270/Q20K29QC |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1
(Homo sapiens (Human)) | BDBM12619
(2,4-Diamino-5-ketopyrimidine 37 | 5-[(2-fluoro-6-m...)Show SMILES COc1cccc(F)c1C(=O)c1cnc(NC2CCN(CC2)S(C)(=O)=O)nc1N Show InChI InChI=1S/C18H22FN5O4S/c1-28-14-5-3-4-13(19)15(14)16(25)12-10-21-18(23-17(12)20)22-11-6-8-24(9-7-11)29(2,26)27/h3-5,10-11H,6-9H2,1-2H3,(H3,20,21,22,23) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
| Assay Description
Enzymes were assayed with retinoblastoma substrate in 384-well plates containing diluted test compounds. Final ATP concentration was 3x the respectiv... |
J Med Chem 49: 6549-60 (2006)
Article DOI: 10.1021/jm0606138
BindingDB Entry DOI: 10.7270/Q2QR4VB2 |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50401735
(CHEMBL2206534)Show InChI InChI=1S/C16H15F2NO/c1-19-8-11-6-12(20)3-4-13(11)14(9-19)10-2-5-15(17)16(18)7-10/h2-7,14,20H,8-9H2,1H3 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AMRI
Curated by ChEMBL
| Assay Description
Inhibition of human NET |
Bioorg Med Chem Lett 22: 7219-22 (2012)
Article DOI: 10.1016/j.bmcl.2012.09.050
BindingDB Entry DOI: 10.7270/Q20K29QC |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50401742
(CHEMBL2206527)Show InChI InChI=1S/C17H18FN/c1-12-9-13(7-8-17(12)18)16-11-19(2)10-14-5-3-4-6-15(14)16/h3-9,16H,10-11H2,1-2H3 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 13.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AMRI
Curated by ChEMBL
| Assay Description
Inhibition of human NET |
Bioorg Med Chem Lett 22: 7219-22 (2012)
Article DOI: 10.1016/j.bmcl.2012.09.050
BindingDB Entry DOI: 10.7270/Q20K29QC |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50401733
(CHEMBL2206536)Show InChI InChI=1S/C17H17F2N/c1-11-3-5-14-13(7-11)9-20(2)10-15(14)12-4-6-16(18)17(19)8-12/h3-8,15H,9-10H2,1-2H3 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AMRI
Curated by ChEMBL
| Assay Description
Inhibition of human NET |
Bioorg Med Chem Lett 22: 7219-22 (2012)
Article DOI: 10.1016/j.bmcl.2012.09.050
BindingDB Entry DOI: 10.7270/Q20K29QC |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1
(Homo sapiens (Human)) | BDBM12611
(2,4-Diamino-5-ketopyrimidine 29 | 2-N-(1-methanesu...)Show SMILES COc1ccccc1C(=O)c1cnc(NC2CCN(CC2)S(C)(=O)=O)nc1N Show InChI InChI=1S/C18H23N5O4S/c1-27-15-6-4-3-5-13(15)16(24)14-11-20-18(22-17(14)19)21-12-7-9-23(10-8-12)28(2,25)26/h3-6,11-12H,7-10H2,1-2H3,(H3,19,20,21,22) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
| Assay Description
Enzymes were assayed with retinoblastoma substrate in 384-well plates containing diluted test compounds. Final ATP concentration was 3x the respectiv... |
J Med Chem 49: 6549-60 (2006)
Article DOI: 10.1021/jm0606138
BindingDB Entry DOI: 10.7270/Q2QR4VB2 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1
(Homo sapiens (Human)) | BDBM12617
(2,4-Diamino-5-ketopyrimidine 35 | 5-[(5-fluoro-2-m...)Show SMILES COc1ccc(F)cc1C(=O)c1cnc(NC2CCN(CC2)S(C)(=O)=O)nc1N Show InChI InChI=1S/C18H22FN5O4S/c1-28-15-4-3-11(19)9-13(15)16(25)14-10-21-18(23-17(14)20)22-12-5-7-24(8-6-12)29(2,26)27/h3-4,9-10,12H,5-8H2,1-2H3,(H3,20,21,22,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
| Assay Description
Enzymes were assayed with retinoblastoma substrate in 384-well plates containing diluted test compounds. Final ATP concentration was 3x the respectiv... |
J Med Chem 49: 6549-60 (2006)
Article DOI: 10.1021/jm0606138
BindingDB Entry DOI: 10.7270/Q2QR4VB2 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1
(Homo sapiens (Human)) | BDBM12622
(2,4-Diamino-5-ketopyrimidine 40 | 5-[(4,5-difluoro...)Show SMILES COc1cc(F)c(F)cc1C(=O)c1cnc(NC2CCN(CC2)S(C)(=O)=O)nc1N Show InChI InChI=1S/C18H21F2N5O4S/c1-29-15-8-14(20)13(19)7-11(15)16(26)12-9-22-18(24-17(12)21)23-10-3-5-25(6-4-10)30(2,27)28/h7-10H,3-6H2,1-2H3,(H3,21,22,23,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
| Assay Description
Enzymes were assayed with retinoblastoma substrate in 384-well plates containing diluted test compounds. Final ATP concentration was 3x the respectiv... |
J Med Chem 49: 6549-60 (2006)
Article DOI: 10.1021/jm0606138
BindingDB Entry DOI: 10.7270/Q2QR4VB2 |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50401734
(CHEMBL2206535)Show InChI InChI=1S/C18H21N/c1-13-4-7-15(8-5-13)18-12-19(3)11-16-10-14(2)6-9-17(16)18/h4-10,18H,11-12H2,1-3H3 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AMRI
Curated by ChEMBL
| Assay Description
Inhibition of human NET |
Bioorg Med Chem Lett 22: 7219-22 (2012)
Article DOI: 10.1016/j.bmcl.2012.09.050
BindingDB Entry DOI: 10.7270/Q20K29QC |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1
(Homo sapiens (Human)) | BDBM12620
(2,4-Diamino-5-ketopyrimidine 38 | 5-[(2,6-difluoro...)Show SMILES CS(=O)(=O)N1CCC(CC1)Nc1ncc(C(=O)c2c(F)cccc2F)c(N)n1 Show InChI InChI=1S/C17H19F2N5O3S/c1-28(26,27)24-7-5-10(6-8-24)22-17-21-9-11(16(20)23-17)15(25)14-12(18)3-2-4-13(14)19/h2-4,9-10H,5-8H2,1H3,(H3,20,21,22,23) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
| Assay Description
Enzymes were assayed with retinoblastoma substrate in 384-well plates containing diluted test compounds. Final ATP concentration was 3x the respectiv... |
J Med Chem 49: 6549-60 (2006)
Article DOI: 10.1021/jm0606138
BindingDB Entry DOI: 10.7270/Q2QR4VB2 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1
(Homo sapiens (Human)) | BDBM12612
(2,4-Diamino-5-ketopyrimidine 30 | 2-N-[1-(ethanesu...)Show SMILES CCS(=O)(=O)N1CCC(CC1)Nc1ncc(C(=O)c2ccccc2OC)c(N)n1 Show InChI InChI=1S/C19H25N5O4S/c1-3-29(26,27)24-10-8-13(9-11-24)22-19-21-12-15(18(20)23-19)17(25)14-6-4-5-7-16(14)28-2/h4-7,12-13H,3,8-11H2,1-2H3,(H3,20,21,22,23) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
| Assay Description
Enzymes were assayed with retinoblastoma substrate in 384-well plates containing diluted test compounds. Final ATP concentration was 3x the respectiv... |
J Med Chem 49: 6549-60 (2006)
Article DOI: 10.1021/jm0606138
BindingDB Entry DOI: 10.7270/Q2QR4VB2 |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50401736
(CHEMBL2206533)Show InChI InChI=1S/C18H20FNO/c1-12-4-5-13(9-18(12)19)17-11-20(2)10-14-8-15(21-3)6-7-16(14)17/h4-9,17H,10-11H2,1-3H3 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 16.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AMRI
Curated by ChEMBL
| Assay Description
Inhibition of human NET |
Bioorg Med Chem Lett 22: 7219-22 (2012)
Article DOI: 10.1016/j.bmcl.2012.09.050
BindingDB Entry DOI: 10.7270/Q20K29QC |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1
(Homo sapiens (Human)) | BDBM12619
(2,4-Diamino-5-ketopyrimidine 37 | 5-[(2-fluoro-6-m...)Show SMILES COc1cccc(F)c1C(=O)c1cnc(NC2CCN(CC2)S(C)(=O)=O)nc1N Show InChI InChI=1S/C18H22FN5O4S/c1-28-14-5-3-4-13(19)15(14)16(25)12-10-21-18(23-17(12)20)22-11-6-8-24(9-7-11)29(2,26)27/h3-5,10-11H,6-9H2,1-2H3,(H3,20,21,22,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
| Assay Description
Enzymes were assayed with retinoblastoma substrate in 384-well plates containing diluted test compounds. Final ATP concentration was 3x the respectiv... |
J Med Chem 49: 6549-60 (2006)
Article DOI: 10.1021/jm0606138
BindingDB Entry DOI: 10.7270/Q2QR4VB2 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1
(Homo sapiens (Human)) | BDBM12620
(2,4-Diamino-5-ketopyrimidine 38 | 5-[(2,6-difluoro...)Show SMILES CS(=O)(=O)N1CCC(CC1)Nc1ncc(C(=O)c2c(F)cccc2F)c(N)n1 Show InChI InChI=1S/C17H19F2N5O3S/c1-28(26,27)24-7-5-10(6-8-24)22-17-21-9-11(16(20)23-17)15(25)14-12(18)3-2-4-13(14)19/h2-4,9-10H,5-8H2,1H3,(H3,20,21,22,23) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
| Assay Description
Enzymes were assayed with retinoblastoma substrate in 384-well plates containing diluted test compounds. Final ATP concentration was 3x the respectiv... |
J Med Chem 49: 6549-60 (2006)
Article DOI: 10.1021/jm0606138
BindingDB Entry DOI: 10.7270/Q2QR4VB2 |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50401740
(CHEMBL2206529)Show InChI InChI=1S/C18H21N/c1-13-7-9-15(10-8-13)18-12-19(3)11-17-14(2)5-4-6-16(17)18/h4-10,18H,11-12H2,1-3H3 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 19 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AMRI
Curated by ChEMBL
| Assay Description
Inhibition of human NET |
Bioorg Med Chem Lett 22: 7219-22 (2012)
Article DOI: 10.1016/j.bmcl.2012.09.050
BindingDB Entry DOI: 10.7270/Q20K29QC |
More data for this
Ligand-Target Pair | |
Transporter
(Rattus norvegicus (rat)) | BDBM50005548
((+)-2-Methyl-4-phenyl-1,2,3,4-tetrahydro-isoquinol...)Show InChI InChI=1S/C16H18N2/c1-18-10-14(12-6-3-2-4-7-12)13-8-5-9-16(17)15(13)11-18/h2-9,14H,10-11,17H2,1H3 | Reactome pathway
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AMRI
Curated by ChEMBL
| Assay Description
Inhibition of rat NET |
Bioorg Med Chem Lett 22: 7219-22 (2012)
Article DOI: 10.1016/j.bmcl.2012.09.050
BindingDB Entry DOI: 10.7270/Q20K29QC |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1
(Homo sapiens (Human)) | BDBM12616
(2,4-Diamino-5-ketopyrimidine 34 | 5-[(4-fluoro-2-m...)Show SMILES COc1cc(F)ccc1C(=O)c1cnc(NC2CCN(CC2)S(C)(=O)=O)nc1N Show InChI InChI=1S/C18H22FN5O4S/c1-28-15-9-11(19)3-4-13(15)16(25)14-10-21-18(23-17(14)20)22-12-5-7-24(8-6-12)29(2,26)27/h3-4,9-10,12H,5-8H2,1-2H3,(H3,20,21,22,23) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 21 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
| Assay Description
Enzymes were assayed with retinoblastoma substrate in 384-well plates containing diluted test compounds. Final ATP concentration was 3x the respectiv... |
J Med Chem 49: 6549-60 (2006)
Article DOI: 10.1021/jm0606138
BindingDB Entry DOI: 10.7270/Q2QR4VB2 |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50401736
(CHEMBL2206533)Show InChI InChI=1S/C18H20FNO/c1-12-4-5-13(9-18(12)19)17-11-20(2)10-14-8-15(21-3)6-7-16(14)17/h4-9,17H,10-11H2,1-3H3 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 21.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AMRI
Curated by ChEMBL
| Assay Description
Inhibition of DAT |
Bioorg Med Chem Lett 22: 7219-22 (2012)
Article DOI: 10.1016/j.bmcl.2012.09.050
BindingDB Entry DOI: 10.7270/Q20K29QC |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50005548
((+)-2-Methyl-4-phenyl-1,2,3,4-tetrahydro-isoquinol...)Show InChI InChI=1S/C16H18N2/c1-18-10-14(12-6-3-2-4-7-12)13-8-5-9-16(17)15(13)11-18/h2-9,14H,10-11,17H2,1H3 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 23 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AMRI
Curated by ChEMBL
| Assay Description
Inhibition of human NET |
Bioorg Med Chem Lett 22: 7219-22 (2012)
Article DOI: 10.1016/j.bmcl.2012.09.050
BindingDB Entry DOI: 10.7270/Q20K29QC |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1
(Homo sapiens (Human)) | BDBM12611
(2,4-Diamino-5-ketopyrimidine 29 | 2-N-(1-methanesu...)Show SMILES COc1ccccc1C(=O)c1cnc(NC2CCN(CC2)S(C)(=O)=O)nc1N Show InChI InChI=1S/C18H23N5O4S/c1-27-15-6-4-3-5-13(15)16(24)14-11-20-18(22-17(14)19)21-12-7-9-23(10-8-12)28(2,25)26/h3-6,11-12H,7-10H2,1-2H3,(H3,19,20,21,22) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 24 | -45.2 | n/a | n/a | n/a | n/a | n/a | 7.0 | 37 |
Hoffmann-La Roche Inc.
| Assay Description
Enzymes were assayed with retinoblastoma substrate in 384-well plates containing diluted test compounds. Final ATP concentration was 3x the respectiv... |
J Med Chem 49: 6549-60 (2006)
Article DOI: 10.1021/jm0606138
BindingDB Entry DOI: 10.7270/Q2QR4VB2 |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50401717
(CHEMBL2206523)Show InChI InChI=1S/C16H16ClN/c1-18-10-13-4-2-3-5-15(13)16(11-18)12-6-8-14(17)9-7-12/h2-9,16H,10-11H2,1H3 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AMRI
Curated by ChEMBL
| Assay Description
Inhibition of SERT |
Bioorg Med Chem Lett 22: 7219-22 (2012)
Article DOI: 10.1016/j.bmcl.2012.09.050
BindingDB Entry DOI: 10.7270/Q20K29QC |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50401737
(CHEMBL2206532)Show InChI InChI=1S/C18H21NO/c1-13-5-4-6-14(9-13)18-12-19(2)11-15-10-16(20-3)7-8-17(15)18/h4-10,18H,11-12H2,1-3H3 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AMRI
Curated by ChEMBL
| Assay Description
Inhibition of DAT |
Bioorg Med Chem Lett 22: 7219-22 (2012)
Article DOI: 10.1016/j.bmcl.2012.09.050
BindingDB Entry DOI: 10.7270/Q20K29QC |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50401734
(CHEMBL2206535)Show InChI InChI=1S/C18H21N/c1-13-4-7-15(8-5-13)18-12-19(3)11-16-10-14(2)6-9-17(16)18/h4-10,18H,11-12H2,1-3H3 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 27 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AMRI
Curated by ChEMBL
| Assay Description
Inhibition of DAT |
Bioorg Med Chem Lett 22: 7219-22 (2012)
Article DOI: 10.1016/j.bmcl.2012.09.050
BindingDB Entry DOI: 10.7270/Q20K29QC |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1
(Homo sapiens (Human)) | BDBM12611
(2,4-Diamino-5-ketopyrimidine 29 | 2-N-(1-methanesu...)Show SMILES COc1ccccc1C(=O)c1cnc(NC2CCN(CC2)S(C)(=O)=O)nc1N Show InChI InChI=1S/C18H23N5O4S/c1-27-15-6-4-3-5-13(15)16(24)14-11-20-18(22-17(14)19)21-12-7-9-23(10-8-12)28(2,25)26/h3-6,11-12H,7-10H2,1-2H3,(H3,19,20,21,22) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 28 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
| Assay Description
Enzymes were assayed with retinoblastoma substrate in 384-well plates containing diluted test compounds. Final ATP concentration was 3x the respectiv... |
J Med Chem 49: 6549-60 (2006)
Article DOI: 10.1021/jm0606138
BindingDB Entry DOI: 10.7270/Q2QR4VB2 |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50401717
(CHEMBL2206523)Show InChI InChI=1S/C16H16ClN/c1-18-10-13-4-2-3-5-15(13)16(11-18)12-6-8-14(17)9-7-12/h2-9,16H,10-11H2,1H3 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 28 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AMRI
Curated by ChEMBL
| Assay Description
Inhibition of human NET |
Bioorg Med Chem Lett 22: 7219-22 (2012)
Article DOI: 10.1016/j.bmcl.2012.09.050
BindingDB Entry DOI: 10.7270/Q20K29QC |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50401739
(CHEMBL2206530)Show InChI InChI=1S/C16H16FN/c1-18-10-13-9-14(17)7-8-15(13)16(11-18)12-5-3-2-4-6-12/h2-9,16H,10-11H2,1H3 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 29 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AMRI
Curated by ChEMBL
| Assay Description
Inhibition of human NET |
Bioorg Med Chem Lett 22: 7219-22 (2012)
Article DOI: 10.1016/j.bmcl.2012.09.050
BindingDB Entry DOI: 10.7270/Q20K29QC |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50401743
(CHEMBL2206526)Show InChI InChI=1S/C17H18FN/c1-12-7-8-13(9-17(12)18)16-11-19(2)10-14-5-3-4-6-15(14)16/h3-9,16H,10-11H2,1-2H3 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 30.1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AMRI
Curated by ChEMBL
| Assay Description
Inhibition of DAT |
Bioorg Med Chem Lett 22: 7219-22 (2012)
Article DOI: 10.1016/j.bmcl.2012.09.050
BindingDB Entry DOI: 10.7270/Q20K29QC |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50401721
(CHEMBL2206518)Show InChI InChI=1S/C17H19NO/c1-18-11-14-10-15(19-2)8-9-16(14)17(12-18)13-6-4-3-5-7-13/h3-10,17H,11-12H2,1-2H3 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 31.8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AMRI
Curated by ChEMBL
| Assay Description
Inhibition of human NET |
Bioorg Med Chem Lett 22: 7219-22 (2012)
Article DOI: 10.1016/j.bmcl.2012.09.050
BindingDB Entry DOI: 10.7270/Q20K29QC |
More data for this
Ligand-Target Pair | |
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