Found 335 hits with Last Name = 'wolf' 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 |
|---|
Presenilin-1
(Homo sapiens (Human)) | BDBM50476859
(CHEMBL232938)Show SMILES CC(C)C[C@H](O)NC(=O)C1(CCC1)C(=O)N[C@H]1c2ccccc2-c2ccccc2N(C)C1=O Show InChI InChI=1S/C26H31N3O4/c1-16(2)15-21(30)27-24(32)26(13-8-14-26)25(33)28-22-19-11-5-4-9-17(19)18-10-6-7-12-20(18)29(3)23(22)31/h4-7,9-12,16,21-22,30H,8,13-15H2,1-3H3,(H,27,32)(H,28,33)/t21-,22-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Co.
Curated by ChEMBL
| Assay Description
Displacement of [3H]succinamide from gamma secretase in THP1 cell membranes |
Bioorg Med Chem Lett 17: 3910-5 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.102
BindingDB Entry DOI: 10.7270/Q2M90CFP |
More data for this
Ligand-Target Pair | |
Presenilin-1
(Homo sapiens (Human)) | BDBM50476878
(CHEMBL399204)Show SMILES CC(C)[C@H](O)NC(=O)C1(CCC1)C(=O)N[C@H]1N=C(c2ccc(cc2)C(F)(F)F)c2ccccc2N(C)C1=O |t:17| Show InChI InChI=1S/C27H29F3N4O4/c1-15(2)22(35)33-25(38)26(13-6-14-26)24(37)32-21-23(36)34(3)19-8-5-4-7-18(19)20(31-21)16-9-11-17(12-10-16)27(28,29)30/h4-5,7-12,15,21-22,35H,6,13-14H2,1-3H3,(H,32,37)(H,33,38)/t21-,22+/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Co.
Curated by ChEMBL
| Assay Description
Displacement of [3H]succinamide from gamma secretase in THP1 cell membranes |
Bioorg Med Chem Lett 17: 3910-5 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.102
BindingDB Entry DOI: 10.7270/Q2M90CFP |
More data for this
Ligand-Target Pair | |
Presenilin-1
(Homo sapiens (Human)) | BDBM50476861
(CHEMBL401044)Show SMILES CC(C)CNC(=O)C1(CCC1)C(=O)N[C@H]1N=C(c2ccc(cc2)C(F)(F)F)c2ccccc2N(C)C1=O |t:16| Show InChI InChI=1S/C27H29F3N4O3/c1-16(2)15-31-24(36)26(13-6-14-26)25(37)33-22-23(35)34(3)20-8-5-4-7-19(20)21(32-22)17-9-11-18(12-10-17)27(28,29)30/h4-5,7-12,16,22H,6,13-15H2,1-3H3,(H,31,36)(H,33,37)/t22-/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Co.
Curated by ChEMBL
| Assay Description
Displacement of [3H]succinamide from gamma secretase in THP1 cell membranes |
Bioorg Med Chem Lett 17: 3910-5 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.102
BindingDB Entry DOI: 10.7270/Q2M90CFP |
More data for this
Ligand-Target Pair | |
Presenilin-1
(Homo sapiens (Human)) | BDBM50476880
(CHEMBL450279)Show SMILES CN1c2ccccc2-c2ccccc2[C@H](NC(=O)C2(CCC2)C(=O)NCCC2CCCC2)C1=O Show InChI InChI=1S/C28H33N3O3/c1-31-23-14-7-6-12-21(23)20-11-4-5-13-22(20)24(25(31)32)30-27(34)28(16-8-17-28)26(33)29-18-15-19-9-2-3-10-19/h4-7,11-14,19,24H,2-3,8-10,15-18H2,1H3,(H,29,33)(H,30,34)/t24-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Co.
Curated by ChEMBL
| Assay Description
Displacement of [3H]succinamide from gamma secretase in THP1 cell membranes |
Bioorg Med Chem Lett 17: 3910-5 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.102
BindingDB Entry DOI: 10.7270/Q2M90CFP |
More data for this
Ligand-Target Pair | |
Presenilin-1
(Homo sapiens (Human)) | BDBM50476871
(CHEMBL232182)Show SMILES CC(C)CNC(=O)C1(CCC1)C(=O)N[C@H]1c2ccccc2-c2ccccc2N(C)C1=O Show InChI InChI=1S/C25H29N3O3/c1-16(2)15-26-23(30)25(13-8-14-25)24(31)27-21-19-11-5-4-9-17(19)18-10-6-7-12-20(18)28(3)22(21)29/h4-7,9-12,16,21H,8,13-15H2,1-3H3,(H,26,30)(H,27,31)/t21-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Co.
Curated by ChEMBL
| Assay Description
Displacement of [3H]succinamide from gamma secretase in THP1 cell membranes |
Bioorg Med Chem Lett 17: 3910-5 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.102
BindingDB Entry DOI: 10.7270/Q2M90CFP |
More data for this
Ligand-Target Pair | |
Presenilin-1
(Homo sapiens (Human)) | BDBM50476864
(CHEMBL429438)Show SMILES CC(C)CNC(=O)C1(CCCC1)C(=O)N[C@H]1N=C(c2ccc(cc2)C(F)(F)F)c2ccccc2N(C)C1=O |t:17| Show InChI InChI=1S/C28H31F3N4O3/c1-17(2)16-32-25(37)27(14-6-7-15-27)26(38)34-23-24(36)35(3)21-9-5-4-8-20(21)22(33-23)18-10-12-19(13-11-18)28(29,30)31/h4-5,8-13,17,23H,6-7,14-16H2,1-3H3,(H,32,37)(H,34,38)/t23-/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Co.
Curated by ChEMBL
| Assay Description
Displacement of [3H]succinamide from gamma secretase in THP1 cell membranes |
Bioorg Med Chem Lett 17: 3910-5 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.102
BindingDB Entry DOI: 10.7270/Q2M90CFP |
More data for this
Ligand-Target Pair | |
Presenilin-1
(Homo sapiens (Human)) | BDBM50476860
(CHEMBL232936)Show SMILES CC(C)C[C@H](O)NC(=O)C1(CCC1)C(=O)N[C@H]1N=C(c2ccc(cc2)C(F)(F)F)c2ccccc2N(C)C1=O |t:18| Show InChI InChI=1S/C28H31F3N4O4/c1-16(2)15-21(36)32-25(38)27(13-6-14-27)26(39)34-23-24(37)35(3)20-8-5-4-7-19(20)22(33-23)17-9-11-18(12-10-17)28(29,30)31/h4-5,7-12,16,21,23,36H,6,13-15H2,1-3H3,(H,32,38)(H,34,39)/t21-,23+/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Co.
Curated by ChEMBL
| Assay Description
Displacement of [3H]succinamide from gamma secretase in THP1 cell membranes |
Bioorg Med Chem Lett 17: 3910-5 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.102
BindingDB Entry DOI: 10.7270/Q2M90CFP |
More data for this
Ligand-Target Pair | |
Presenilin-1
(Homo sapiens (Human)) | BDBM50476870
(CHEMBL232346)Show SMILES CN1c2ccccc2C(=N[C@H](NC(=O)C2(CCC2)C(=O)NCCC2CCCC2)C1=O)c1ccc(cc1)C(F)(F)F |c:9| Show InChI InChI=1S/C30H33F3N4O3/c1-37-23-10-5-4-9-22(23)24(20-11-13-21(14-12-20)30(31,32)33)35-25(26(37)38)36-28(40)29(16-6-17-29)27(39)34-18-15-19-7-2-3-8-19/h4-5,9-14,19,25H,2-3,6-8,15-18H2,1H3,(H,34,39)(H,36,40)/t25-/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Co.
Curated by ChEMBL
| Assay Description
Displacement of [3H]succinamide from gamma secretase in THP1 cell membranes |
Bioorg Med Chem Lett 17: 3910-5 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.102
BindingDB Entry DOI: 10.7270/Q2M90CFP |
More data for this
Ligand-Target Pair | |
Presenilin-1
(Homo sapiens (Human)) | BDBM209909
(US9273014, Comparative Compound 45 | US9427442, Co...)Show SMILES CCC[C@@H]([C@@H](CC(C)C)C(=O)N[C@H]1N=C(c2ccccc2)c2ccccc2N(C)C1=O)C(N)=O |r,t:13| Show InChI InChI=1S/C27H34N4O3/c1-5-11-19(24(28)32)21(16-17(2)3)26(33)30-25-27(34)31(4)22-15-10-9-14-20(22)23(29-25)18-12-7-6-8-13-18/h6-10,12-15,17,19,21,25H,5,11,16H2,1-4H3,(H2,28,32)(H,30,33)/t19-,21+,25+/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Co.
Curated by ChEMBL
| Assay Description
Displacement of [3H]succinamide from gamma secretase in THP1 cell membranes |
Bioorg Med Chem Lett 17: 3910-5 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.102
BindingDB Entry DOI: 10.7270/Q2M90CFP |
More data for this
Ligand-Target Pair | |
Presenilin-1
(Homo sapiens (Human)) | BDBM50476872
(CHEMBL401045)Show SMILES CC(C)CNC(=O)C1(CCCC1)C(=O)N[C@H]1c2ccccc2-c2ccccc2N(C)C1=O Show InChI InChI=1S/C26H31N3O3/c1-17(2)16-27-24(31)26(14-8-9-15-26)25(32)28-22-20-12-5-4-10-18(20)19-11-6-7-13-21(19)29(3)23(22)30/h4-7,10-13,17,22H,8-9,14-16H2,1-3H3,(H,27,31)(H,28,32)/t22-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Co.
Curated by ChEMBL
| Assay Description
Displacement of [3H]succinamide from gamma secretase in THP1 cell membranes |
Bioorg Med Chem Lett 17: 3910-5 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.102
BindingDB Entry DOI: 10.7270/Q2M90CFP |
More data for this
Ligand-Target Pair | |
Presenilin-1
(Homo sapiens (Human)) | BDBM50476865
(CHEMBL392265)Show SMILES CN1c2ccccc2C(=N[C@H](NC(=O)C2(CCC2)C(=O)N[C@@H](O)C2CCCCC2)C1=O)c1ccc(cc1)C(F)(F)F |c:9| Show InChI InChI=1S/C30H33F3N4O4/c1-37-22-11-6-5-10-21(22)23(18-12-14-20(15-13-18)30(31,32)33)34-24(26(37)39)35-27(40)29(16-7-17-29)28(41)36-25(38)19-8-3-2-4-9-19/h5-6,10-15,19,24-25,38H,2-4,7-9,16-17H2,1H3,(H,35,40)(H,36,41)/t24-,25+/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| 3.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Co.
Curated by ChEMBL
| Assay Description
Displacement of [3H]succinamide from gamma secretase in THP1 cell membranes |
Bioorg Med Chem Lett 17: 3910-5 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.102
BindingDB Entry DOI: 10.7270/Q2M90CFP |
More data for this
Ligand-Target Pair | |
Presenilin-1
(Homo sapiens (Human)) | BDBM50476857
(CHEMBL449960)Show SMILES CC(C)CNC(=O)C1(CCC1)C(=O)N[C@H]1N=C(c2ccccc2)c2ccccc2N(C)C1=O |t:16| Show InChI InChI=1S/C26H30N4O3/c1-17(2)16-27-24(32)26(14-9-15-26)25(33)29-22-23(31)30(3)20-13-8-7-12-19(20)21(28-22)18-10-5-4-6-11-18/h4-8,10-13,17,22H,9,14-16H2,1-3H3,(H,27,32)(H,29,33)/t22-/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 3.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Co.
Curated by ChEMBL
| Assay Description
Displacement of [3H]succinamide from gamma secretase in THP1 cell membranes |
Bioorg Med Chem Lett 17: 3910-5 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.102
BindingDB Entry DOI: 10.7270/Q2M90CFP |
More data for this
Ligand-Target Pair | |
Presenilin-1
(Homo sapiens (Human)) | BDBM50476862
(CHEMBL232739)Show SMILES CC(C)[C@H](O)NC(=O)C1(CCC1)C(=O)N[C@H]1c2ccccc2-c2ccccc2N(C)C1=O Show InChI InChI=1S/C25H29N3O4/c1-15(2)21(29)27-24(32)25(13-8-14-25)23(31)26-20-18-11-5-4-9-16(18)17-10-6-7-12-19(17)28(3)22(20)30/h4-7,9-12,15,20-21,29H,8,13-14H2,1-3H3,(H,26,31)(H,27,32)/t20-,21-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 3.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Co.
Curated by ChEMBL
| Assay Description
Displacement of [3H]succinamide from gamma secretase in THP1 cell membranes |
Bioorg Med Chem Lett 17: 3910-5 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.102
BindingDB Entry DOI: 10.7270/Q2M90CFP |
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 | PDB
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 | |
Presenilin-1
(Homo sapiens (Human)) | BDBM50476856
(CHEMBL232138)Show SMILES CC(C)CCNC(=O)C1(CCC1)C(=O)N[C@H]1c2ccccc2-c2ccccc2N(C)C1=O Show InChI InChI=1S/C26H31N3O3/c1-17(2)13-16-27-24(31)26(14-8-15-26)25(32)28-22-20-11-5-4-9-18(20)19-10-6-7-12-21(19)29(3)23(22)30/h4-7,9-12,17,22H,8,13-16H2,1-3H3,(H,27,31)(H,28,32)/t22-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Co.
Curated by ChEMBL
| Assay Description
Displacement of [3H]succinamide from gamma secretase in THP1 cell membranes |
Bioorg Med Chem Lett 17: 3910-5 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.102
BindingDB Entry DOI: 10.7270/Q2M90CFP |
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 | PDB
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 | |
Presenilin-1
(Homo sapiens (Human)) | BDBM50476866
(CHEMBL231941)Show SMILES CC(C)CCNC(=O)C1(CCC1)C(=O)N[C@H]1N=C(c2ccc(cc2)C(F)(F)F)c2ccccc2N(C)C1=O |t:17| Show InChI InChI=1S/C28H31F3N4O3/c1-17(2)13-16-32-25(37)27(14-6-15-27)26(38)34-23-24(36)35(3)21-8-5-4-7-20(21)22(33-23)18-9-11-19(12-10-18)28(29,30)31/h4-5,7-12,17,23H,6,13-16H2,1-3H3,(H,32,37)(H,34,38)/t23-/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 4.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Co.
Curated by ChEMBL
| Assay Description
Displacement of [3H]succinamide from gamma secretase in THP1 cell membranes |
Bioorg Med Chem Lett 17: 3910-5 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.102
BindingDB Entry DOI: 10.7270/Q2M90CFP |
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 | PDB
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 | PDB
Reactome pathway
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| 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 | PDB
Reactome pathway
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| Purchase
DrugBank
MCE
PC cid
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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 | |
Presenilin-1
(Homo sapiens (Human)) | BDBM50476875
(CHEMBL232183)Show SMILES CC(C)CNC(=O)C1(CCCC1)C(=O)N[C@H]1N=C(c2ccccc2)c2ccccc2N(C)C1=O |t:17| Show InChI InChI=1S/C27H32N4O3/c1-18(2)17-28-25(33)27(15-9-10-16-27)26(34)30-23-24(32)31(3)21-14-8-7-13-20(21)22(29-23)19-11-5-4-6-12-19/h4-8,11-14,18,23H,9-10,15-17H2,1-3H3,(H,28,33)(H,30,34)/t23-/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 6.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Co.
Curated by ChEMBL
| Assay Description
Displacement of [3H]succinamide from gamma secretase in THP1 cell membranes |
Bioorg Med Chem Lett 17: 3910-5 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.102
BindingDB Entry DOI: 10.7270/Q2M90CFP |
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 | PDB
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 | |
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 | PDB
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 | PDB
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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
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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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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| 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 | |
Presenilin-1
(Homo sapiens (Human)) | BDBM50476879
(CHEMBL233172)Show SMILES CN1c2ccccc2C(=N[C@H](NC(=O)C2(CCCC2)C(=O)NCc2cc(F)cc(F)c2)C1=O)c1ccccc1 |c:9| Show InChI InChI=1S/C30H28F2N4O3/c1-36-24-12-6-5-11-23(24)25(20-9-3-2-4-10-20)34-26(27(36)37)35-29(39)30(13-7-8-14-30)28(38)33-18-19-15-21(31)17-22(32)16-19/h2-6,9-12,15-17,26H,7-8,13-14,18H2,1H3,(H,33,38)(H,35,39)/t26-/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 9.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Co.
Curated by ChEMBL
| Assay Description
Displacement of [3H]succinamide from gamma secretase in THP1 cell membranes |
Bioorg Med Chem Lett 17: 3910-5 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.102
BindingDB Entry DOI: 10.7270/Q2M90CFP |
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 | |
Presenilin-1
(Homo sapiens (Human)) | BDBM50476873
(CHEMBL231984)Show SMILES CCCCNC(=O)C1(CCC1)C(=O)N[C@H]1N=C(c2ccccc2)c2ccccc2N(C)C1=O |t:16| Show InChI InChI=1S/C26H30N4O3/c1-3-4-17-27-24(32)26(15-10-16-26)25(33)29-22-23(31)30(2)20-14-9-8-13-19(20)21(28-22)18-11-6-5-7-12-18/h5-9,11-14,22H,3-4,10,15-17H2,1-2H3,(H,27,32)(H,29,33)/t22-/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Co.
Curated by ChEMBL
| Assay Description
Displacement of [3H]succinamide from gamma secretase in THP1 cell membranes |
Bioorg Med Chem Lett 17: 3910-5 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.102
BindingDB Entry DOI: 10.7270/Q2M90CFP |
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 | PDB
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 | |
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 | PDB
Reactome pathway
KEGG
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| CHEMBL
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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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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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 | |
Presenilin-1
(Homo sapiens (Human)) | BDBM50476858
(CHEMBL231725)Show SMILES CN1c2ccccc2C(=N[C@H](NC(=O)C2(CCC2)C(=O)NCc2cc(F)cc(F)c2)C1=O)c1ccccc1 |c:9| Show InChI InChI=1S/C29H26F2N4O3/c1-35-23-11-6-5-10-22(23)24(19-8-3-2-4-9-19)33-25(26(35)36)34-28(38)29(12-7-13-29)27(37)32-17-18-14-20(30)16-21(31)15-18/h2-6,8-11,14-16,25H,7,12-13,17H2,1H3,(H,32,37)(H,34,38)/t25-/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Co.
Curated by ChEMBL
| Assay Description
Displacement of [3H]succinamide from gamma secretase in THP1 cell membranes |
Bioorg Med Chem Lett 17: 3910-5 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.102
BindingDB Entry DOI: 10.7270/Q2M90CFP |
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 | PDB
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 | |
Presenilin-1
(Homo sapiens (Human)) | BDBM50476876
(CHEMBL399819)Show SMILES CCCNC(=O)C1(CCC1)C(=O)N[C@H]1N=C(c2ccccc2)c2ccccc2N(C)C1=O |t:15| Show InChI InChI=1S/C25H28N4O3/c1-3-16-26-23(31)25(14-9-15-25)24(32)28-21-22(30)29(2)19-13-8-7-12-18(19)20(27-21)17-10-5-4-6-11-17/h4-8,10-13,21H,3,9,14-16H2,1-2H3,(H,26,31)(H,28,32)/t21-/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Co.
Curated by ChEMBL
| Assay Description
Displacement of [3H]succinamide from gamma secretase in THP1 cell membranes |
Bioorg Med Chem Lett 17: 3910-5 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.102
BindingDB Entry DOI: 10.7270/Q2M90CFP |
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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
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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 | |
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 | PDB
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 | |
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 | PDB
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 | PDB
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 | |
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 | |
Presenilin-1
(Homo sapiens (Human)) | BDBM50476868
(CHEMBL232367)Show SMILES CC(C)CC(F)(F)NC(=O)C1(CCC1)C(=O)N[C@H]1c2ccccc2-c2ccccc2N(C)C1=O Show InChI InChI=1S/C26H29F2N3O3/c1-16(2)15-26(27,28)30-24(34)25(13-8-14-25)23(33)29-21-19-11-5-4-9-17(19)18-10-6-7-12-20(18)31(3)22(21)32/h4-7,9-12,16,21H,8,13-15H2,1-3H3,(H,29,33)(H,30,34)/t21-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 22 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Co.
Curated by ChEMBL
| Assay Description
Displacement of [3H]succinamide from gamma secretase in THP1 cell membranes |
Bioorg Med Chem Lett 17: 3910-5 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.102
BindingDB Entry DOI: 10.7270/Q2M90CFP |
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 | PDB
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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 | |
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
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| 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
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| CHEMBL
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UniChem
Similars
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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
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UniChem
Similars
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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 | |
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 | PDB
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UniChem
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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 | PDB
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| CHEMBL
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UniChem
Similars
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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
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| 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 | PDB
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UniChem
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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 | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50401728
(CHEMBL2206511)Show InChI InChI=1S/C17H18FN/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/t17-/m0/s1 | PDB
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UniChem
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PubMed
| 35 | 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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