Found 129 hits with Last Name = 'mahmood' and Initial = 'a' 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 |
|---|
Sodium-dependent dopamine transporter
(Macaca fascicularis) | BDBM50058293
(3-(4-Fluoro-phenyl)-8-(3-phenyl-propyl)-8-aza-bicy...)Show SMILES COC(=O)C1C2CCC(CC1c1ccc(F)cc1)N2CCCc1ccccc1 |TLB:19:18:4.10.9:6.7,THB:2:4:18:6.7,11:10:18:6.7| Show InChI InChI=1S/C24H28FNO2/c1-28-24(27)23-21(18-9-11-19(25)12-10-18)16-20-13-14-22(23)26(20)15-5-8-17-6-3-2-4-7-17/h2-4,6-7,9-12,20-23H,5,8,13-16H2,1H3 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Organix Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]WIN35,428 binding to dopamine transporter using of Cynomolgus monkey caudate-putamen |
J Med Chem 40: 1835-44 (1997)
Article DOI: 10.1021/jm960868t
BindingDB Entry DOI: 10.7270/Q2125RSX |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Macaca fascicularis) | BDBM50058287
(3-(4-Fluoro-phenyl)-8-(5-phenyl-pentyl)-8-aza-bicy...)Show SMILES COC(=O)C1C2CCC(CC1c1ccc(F)cc1)N2CCCCCc1ccccc1 |TLB:19:18:4.10.9:6.7,THB:2:4:18:6.7,11:10:18:6.7| Show InChI InChI=1S/C26H32FNO2/c1-30-26(29)25-23(20-11-13-21(27)14-12-20)18-22-15-16-24(25)28(22)17-7-3-6-10-19-8-4-2-5-9-19/h2,4-5,8-9,11-14,22-25H,3,6-7,10,15-18H2,1H3 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Organix Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]WIN35,428 binding to dopamine transporter using of Cynomolgus monkey caudate-putamen |
J Med Chem 40: 1835-44 (1997)
Article DOI: 10.1021/jm960868t
BindingDB Entry DOI: 10.7270/Q2125RSX |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Macaca fascicularis) | BDBM50058286
((1R,12R) | (1R,12S) | CHEMBL119561 | Diastereiosom...)Show SMILES COC(=O)C1C2CCC(CC1c1ccc(F)cc1)N2CCCN1CCS[Re]2(=O)SCCN2C(=O)C1 |TLB:19:18:4.10.9:6.7,THB:11:10:18:6.7,2:4:18:6.7| Show InChI InChI=1S/C24H36FN3O3S2.O.Re/c1-31-24(30)23-20(17-3-5-18(25)6-4-17)15-19-7-8-21(23)28(19)11-2-10-27(12-14-33)16-22(29)26-9-13-32;;/h3-6,19-21,23H,2,7-16H2,1H3,(H3,26,29,32,33);;/q;;+4/p-3 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.38 | n/a | n/a | n/a | n/a | n/a | n/a |
Organix Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]WIN35,428 binding to dopamine transporter using of Cynomolgus monkey caudate-putamen |
J Med Chem 40: 1835-44 (1997)
Article DOI: 10.1021/jm960868t
BindingDB Entry DOI: 10.7270/Q2125RSX |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 7
(Homo sapiens (Human)) | BDBM50412149
(CHEMBL497967)Show SMILES O=C(NNc1cccc2ncccc12)C12CC3CC(CC(C3)C1)C2 |TLB:1:14:17:21.20.19,THB:15:16:19:23.14.22,15:14:17.16.21:19,22:14:17:21.20.19,22:20:17:23.15.14| Show InChI InChI=1S/C20H23N3O/c24-19(20-10-13-7-14(11-20)9-15(8-13)12-20)23-22-18-5-1-4-17-16(18)3-2-6-21-17/h1-6,13-15,22H,7-12H2,(H,23,24) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114491
BindingDB Entry DOI: 10.7270/Q2BG2T1P |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 7
(Homo sapiens (Human)) | BDBM50386566
(CHEMBL2048438)Show SMILES CC12CC3CC(C)(C1)CC(C3)(C2)C(=O)NNc1c(Cl)cncc1Cl |TLB:12:9:4:2.7.1,7:1:4.5.8:10,0:1:4:8.9.10,THB:7:5:10:2.1.11,6:5:10:2.1.11,11:1:4:8.9.10,11:9:4:2.7.1| Show InChI InChI=1S/C18H23Cl2N3O/c1-16-3-11-4-17(2,8-16)10-18(5-11,9-16)15(24)23-22-14-12(19)6-21-7-13(14)20/h6-7,11H,3-5,8-10H2,1-2H3,(H,21,22)(H,23,24) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114491
BindingDB Entry DOI: 10.7270/Q2BG2T1P |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 7
(Homo sapiens (Human)) | BDBM50598327
(CHEMBL5178892) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114491
BindingDB Entry DOI: 10.7270/Q2BG2T1P |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50058294
((2R,3S)-3-[Bis-(4-fluoro-phenyl)-methoxy]-8-(3-phe...)Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2CCCc1ccccc1 |TLB:28:27:4.10.9:6.7,11:10:27:6.7,THB:2:4:27:6.7| Show InChI InChI=1S/C31H33F2NO3/c1-36-31(35)29-27-18-17-26(34(27)19-5-8-21-6-3-2-4-7-21)20-28(29)37-30(22-9-13-24(32)14-10-22)23-11-15-25(33)16-12-23/h2-4,6-7,9-16,26-30H,5,8,17-20H2,1H3/t26?,27?,28-,29+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 19.7 | n/a | n/a | n/a | n/a | n/a | n/a |
Organix Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]- citalopram binding to serotonin transporter of Cynomolgus monkey caudate-putamen |
J Med Chem 40: 1835-44 (1997)
Article DOI: 10.1021/jm960868t
BindingDB Entry DOI: 10.7270/Q2125RSX |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Macaca fascicularis) | BDBM50058294
((2R,3S)-3-[Bis-(4-fluoro-phenyl)-methoxy]-8-(3-phe...)Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2CCCc1ccccc1 |TLB:28:27:4.10.9:6.7,11:10:27:6.7,THB:2:4:27:6.7| Show InChI InChI=1S/C31H33F2NO3/c1-36-31(35)29-27-18-17-26(34(27)19-5-8-21-6-3-2-4-7-21)20-28(29)37-30(22-9-13-24(32)14-10-22)23-11-15-25(33)16-12-23/h2-4,6-7,9-16,26-30H,5,8,17-20H2,1H3/t26?,27?,28-,29+/m0/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
Organix Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]WIN35,428 binding to dopamine transporter using of Cynomolgus monkey caudate-putamen |
J Med Chem 40: 1835-44 (1997)
Article DOI: 10.1021/jm960868t
BindingDB Entry DOI: 10.7270/Q2125RSX |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 7
(Homo sapiens (Human)) | BDBM50598327
(CHEMBL5178892) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114491
BindingDB Entry DOI: 10.7270/Q2BG2T1P |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 7
(Homo sapiens (Human)) | BDBM50598318
(CHEMBL5205239) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 34 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114491
BindingDB Entry DOI: 10.7270/Q2BG2T1P |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 7
(Homo sapiens (Human)) | BDBM50598318
(CHEMBL5205239) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 34 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114491
BindingDB Entry DOI: 10.7270/Q2BG2T1P |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Macaca fascicularis) | BDBM50058292
(CHEMBL118075 | O-1196 | O-863 | [N-[2-[(3'-N'-Prop...)Show SMILES COC(=O)C1C2CCC(CC1c1ccc(Cl)c(Cl)c1)N2CCC[N+]12CCS[Re]11(=O)SCCN1C(=O)C2 |TLB:11:10:19:6.7,20:19:4.10.9:6.7,THB:2:4:19:6.7| Show InChI InChI=1S/C24H35Cl2N3O3S2.O.Re/c1-32-24(31)23-18(16-3-5-19(25)20(26)13-16)14-17-4-6-21(23)29(17)9-2-8-28(10-12-34)15-22(30)27-7-11-33;;/h3,5,13,17-18,21,23H,2,4,6-12,14-15H2,1H3,(H3,27,30,33,34);;/q;;+4/p-3 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 37.2 | n/a | n/a | n/a | n/a | n/a | n/a |
Organix Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]WIN35,428 binding to dopamine transporter using of Cynomolgus monkey caudate-putamen |
J Med Chem 40: 1835-44 (1997)
Article DOI: 10.1021/jm960868t
BindingDB Entry DOI: 10.7270/Q2125RSX |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 4
(Homo sapiens (Human)) | BDBM50598326
(CHEMBL5206892)Show SMILES CC(C)c1ccc(NC(=S)NC(=O)c2ccc3OCOc3c2)c(Br)c1 | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 39 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114491
BindingDB Entry DOI: 10.7270/Q2BG2T1P |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 4
(Homo sapiens (Human)) | BDBM50596624
(CHEMBL5204261)Show SMILES CC(C)c1ccc(NC(=S)NC(=O)C23CC4CC(CC(C4)C2)C3)c(Br)c1 |TLB:20:19:22:16.15.14,20:15:22:19.21.18,THB:18:19:22.17.16:14,18:17:19.21.20:14| | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114162
BindingDB Entry DOI: 10.7270/Q2S46X0K |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 7
(Homo sapiens (Human)) | BDBM50598320
(CHEMBL5174305)Show SMILES NS(=O)(=O)c1ccc(CCNC(=S)NC(=O)c2ccc3OCOc3c2)cc1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 45 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114491
BindingDB Entry DOI: 10.7270/Q2BG2T1P |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 7
(Homo sapiens (Human)) | BDBM50598320
(CHEMBL5174305)Show SMILES NS(=O)(=O)c1ccc(CCNC(=S)NC(=O)c2ccc3OCOc3c2)cc1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 47 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114491
BindingDB Entry DOI: 10.7270/Q2BG2T1P |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50058287
(3-(4-Fluoro-phenyl)-8-(5-phenyl-pentyl)-8-aza-bicy...)Show SMILES COC(=O)C1C2CCC(CC1c1ccc(F)cc1)N2CCCCCc1ccccc1 |TLB:19:18:4.10.9:6.7,THB:2:4:18:6.7,11:10:18:6.7| Show InChI InChI=1S/C26H32FNO2/c1-30-26(29)25-23(20-11-13-21(27)14-12-20)18-22-15-16-24(25)28(22)17-7-3-6-10-19-8-4-2-5-9-19/h2,4-5,8-9,11-14,22-25H,3,6-7,10,15-18H2,1H3 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 49.9 | n/a | n/a | n/a | n/a | n/a | n/a |
Organix Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]- citalopram binding to serotonin transporter of Cynomolgus monkey caudate-putamen |
J Med Chem 40: 1835-44 (1997)
Article DOI: 10.1021/jm960868t
BindingDB Entry DOI: 10.7270/Q2125RSX |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 4
(Homo sapiens (Human)) | BDBM50598322
(CHEMBL5200114)Show SMILES FC(F)(F)c1ccc(Br)c(NC(=S)NC(=O)c2ccc3OCOc3c2)c1Br | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 55 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114491
BindingDB Entry DOI: 10.7270/Q2BG2T1P |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Macaca fascicularis) | BDBM50058295
(8-Benzyl-3-(4-fluoro-phenyl)-8-aza-bicyclo[3.2.1]o...)Show SMILES COC(=O)C1C2CCC(CC1c1ccc(F)cc1)N2Cc1ccccc1 |TLB:19:18:4.10.9:6.7,THB:2:4:18:6.7,11:10:18:6.7| Show InChI InChI=1S/C22H24FNO2/c1-26-22(25)21-19(16-7-9-17(23)10-8-16)13-18-11-12-20(21)24(18)14-15-5-3-2-4-6-15/h2-10,18-21H,11-14H2,1H3 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 58.9 | n/a | n/a | n/a | n/a | n/a | n/a |
Organix Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]WIN35,428 binding to dopamine transporter using of Cynomolgus monkey caudate-putamen |
J Med Chem 40: 1835-44 (1997)
Article DOI: 10.1021/jm960868t
BindingDB Entry DOI: 10.7270/Q2125RSX |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 7
(Homo sapiens (Human)) | BDBM50596640
(CHEMBL5194775)Show SMILES O=C(NC(=S)Nc1cccc2cccnc12)C12CC3CC(CC(C3)C1)C2 |TLB:23:22:25:19.18.17,23:18:25:22.24.21,THB:21:22:25.20.19:17,21:20:22.24.23:17| | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 68 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114162
BindingDB Entry DOI: 10.7270/Q2S46X0K |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 7
(Homo sapiens (Human)) | BDBM50596640
(CHEMBL5194775)Show SMILES O=C(NC(=S)Nc1cccc2cccnc12)C12CC3CC(CC(C3)C1)C2 |TLB:23:22:25:19.18.17,23:18:25:22.24.21,THB:21:22:25.20.19:17,21:20:22.24.23:17| | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 73 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114162
BindingDB Entry DOI: 10.7270/Q2S46X0K |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 7
(Homo sapiens (Human)) | BDBM50596637
(CHEMBL5188202)Show SMILES Clc1ncccc1NC(=S)NC(=O)C12CC3CC(CC(C3)C1)C2 |TLB:20:19:22:16.15.14,20:15:22:19.21.18,THB:18:19:22.17.16:14,18:17:19.21.20:14| | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 99 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114162
BindingDB Entry DOI: 10.7270/Q2S46X0K |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Macaca fascicularis) | BDBM50058289
((2R,3S)-3-[Bis-(4-fluoro-phenyl)-methoxy]-8-(5-phe...)Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2CCCCCc1ccccc1 |TLB:28:27:4.10.9:6.7,11:10:27:6.7,THB:2:4:27:6.7| Show InChI InChI=1S/C33H37F2NO3/c1-38-33(37)31-29-20-19-28(36(29)21-7-3-6-10-23-8-4-2-5-9-23)22-30(31)39-32(24-11-15-26(34)16-12-24)25-13-17-27(35)18-14-25/h2,4-5,8-9,11-18,28-32H,3,6-7,10,19-22H2,1H3/t28?,29?,30-,31+/m0/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 99 | n/a | n/a | n/a | n/a | n/a | n/a |
Organix Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]WIN35,428 binding to dopamine transporter using of Cynomolgus monkey caudate-putamen |
J Med Chem 40: 1835-44 (1997)
Article DOI: 10.1021/jm960868t
BindingDB Entry DOI: 10.7270/Q2125RSX |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 7
(Homo sapiens (Human)) | BDBM50598319
(CHEMBL5194724)Show SMILES NS(=O)(=O)c1cccc(NC(=S)NC(=O)c2ccc3OCOc3c2)c1 | PDB
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| n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114491
BindingDB Entry DOI: 10.7270/Q2BG2T1P |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50058286
((1R,12R) | (1R,12S) | CHEMBL119561 | Diastereiosom...)Show SMILES COC(=O)C1C2CCC(CC1c1ccc(F)cc1)N2CCCN1CCS[Re]2(=O)SCCN2C(=O)C1 |TLB:19:18:4.10.9:6.7,THB:11:10:18:6.7,2:4:18:6.7| Show InChI InChI=1S/C24H36FN3O3S2.O.Re/c1-31-24(30)23-20(17-3-5-18(25)6-4-17)15-19-7-8-21(23)28(19)11-2-10-27(12-14-33)16-22(29)26-9-13-32;;/h3-6,19-21,23H,2,7-16H2,1H3,(H3,26,29,32,33);;/q;;+4/p-3 | PDB
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Organix Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]- citalopram binding to serotonin transporter of Cynomolgus monkey caudate-putamen |
J Med Chem 40: 1835-44 (1997)
Article DOI: 10.1021/jm960868t
BindingDB Entry DOI: 10.7270/Q2125RSX |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50058293
(3-(4-Fluoro-phenyl)-8-(3-phenyl-propyl)-8-aza-bicy...)Show SMILES COC(=O)C1C2CCC(CC1c1ccc(F)cc1)N2CCCc1ccccc1 |TLB:19:18:4.10.9:6.7,THB:2:4:18:6.7,11:10:18:6.7| Show InChI InChI=1S/C24H28FNO2/c1-28-24(27)23-21(18-9-11-19(25)12-10-18)16-20-13-14-22(23)26(20)15-5-8-17-6-3-2-4-7-17/h2-4,6-7,9-12,20-23H,5,8,13-16H2,1H3 | PDB
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PubMed
| n/a | n/a | 133 | n/a | n/a | n/a | n/a | n/a | n/a |
Organix Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]- citalopram binding to serotonin transporter of Cynomolgus monkey caudate-putamen |
J Med Chem 40: 1835-44 (1997)
Article DOI: 10.1021/jm960868t
BindingDB Entry DOI: 10.7270/Q2125RSX |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 7
(Homo sapiens (Human)) | BDBM50596637
(CHEMBL5188202)Show SMILES Clc1ncccc1NC(=S)NC(=O)C12CC3CC(CC(C3)C1)C2 |TLB:20:19:22:16.15.14,20:15:22:19.21.18,THB:18:19:22.17.16:14,18:17:19.21.20:14| | PDB
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| PC cid
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| n/a | n/a | 155 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114162
BindingDB Entry DOI: 10.7270/Q2S46X0K |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 7
(Homo sapiens (Human)) | BDBM50598319
(CHEMBL5194724)Show SMILES NS(=O)(=O)c1cccc(NC(=S)NC(=O)c2ccc3OCOc3c2)c1 | PDB
KEGG
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| n/a | n/a | 173 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114491
BindingDB Entry DOI: 10.7270/Q2BG2T1P |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 4
(Homo sapiens (Human)) | BDBM50506158
(CHEMBL4521594)Show SMILES NS(=O)(=O)c1cc(NC(=O)Cc2ccccc2)ccc1Oc1cccc(Cl)c1 Show InChI InChI=1S/C20H17ClN2O4S/c21-15-7-4-8-17(12-15)27-18-10-9-16(13-19(18)28(22,25)26)23-20(24)11-14-5-2-1-3-6-14/h1-10,12-13H,11H2,(H,23,24)(H2,22,25,26) | KEGG
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| n/a | n/a | 211 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114162
BindingDB Entry DOI: 10.7270/Q2S46X0K |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Macaca fascicularis) | BDBM50058290
((2R,3S)-8-Benzyl-3-[bis-(4-fluoro-phenyl)-methoxy]...)Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2Cc1ccccc1 |TLB:11:10:27:6.7,28:27:4.10.9:6.7,THB:2:4:27:6.7| Show InChI InChI=1S/C29H29F2NO3/c1-34-29(33)27-25-16-15-24(32(25)18-19-5-3-2-4-6-19)17-26(27)35-28(20-7-11-22(30)12-8-20)21-9-13-23(31)14-10-21/h2-14,24-28H,15-18H2,1H3/t24?,25?,26-,27+/m0/s1 | KEGG
UniProtKB/SwissProt
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UniChem
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| Article
PubMed
| n/a | n/a | 223 | n/a | n/a | n/a | n/a | n/a | n/a |
Organix Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]WIN35,428 binding to dopamine transporter using of Cynomolgus monkey caudate-putamen |
J Med Chem 40: 1835-44 (1997)
Article DOI: 10.1021/jm960868t
BindingDB Entry DOI: 10.7270/Q2125RSX |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 2
(Homo sapiens (Human)) | BDBM50598316
(CHEMBL5184613) | UniProtKB/SwissProt
antibodypedia
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| PC cid
PC sid
UniChem
| Article
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| n/a | n/a | 247 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114491
BindingDB Entry DOI: 10.7270/Q2BG2T1P |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50058292
(CHEMBL118075 | O-1196 | O-863 | [N-[2-[(3'-N'-Prop...)Show SMILES COC(=O)C1C2CCC(CC1c1ccc(Cl)c(Cl)c1)N2CCC[N+]12CCS[Re]11(=O)SCCN1C(=O)C2 |TLB:11:10:19:6.7,20:19:4.10.9:6.7,THB:2:4:19:6.7| Show InChI InChI=1S/C24H35Cl2N3O3S2.O.Re/c1-32-24(31)23-18(16-3-5-19(25)20(26)13-16)14-17-4-6-21(23)29(17)9-2-8-28(10-12-34)15-22(30)27-7-11-33;;/h3,5,13,17-18,21,23H,2,4,6-12,14-15H2,1H3,(H3,27,30,33,34);;/q;;+4/p-3 | PDB
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| n/a | n/a | 264 | n/a | n/a | n/a | n/a | n/a | n/a |
Organix Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]- citalopram binding to serotonin transporter of Cynomolgus monkey caudate-putamen |
J Med Chem 40: 1835-44 (1997)
Article DOI: 10.1021/jm960868t
BindingDB Entry DOI: 10.7270/Q2125RSX |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Macaca fascicularis) | BDBM50279764
(CHEMBL55730 | Diastereiosomer of[N-[2-[(3'-N'-Prop...)Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2CCCN1CCS[Re]2(=O)SCCN2C(=O)C1 |TLB:28:27:4.10.9:6.7,11:10:27:6.7,THB:2:4:27:6.7| Show InChI InChI=1S/C31H41F2N3O4S2.O.Re/c1-39-31(38)29-26-12-11-25(36(26)15-2-14-35(16-18-42)20-28(37)34-13-17-41)19-27(29)40-30(21-3-7-23(32)8-4-21)22-5-9-24(33)10-6-22;;/h3-10,25-27,29-30H,2,11-20H2,1H3,(H3,34,37,41,42);;/q;;+4/p-3/t25?,26?,27-,29+;;/m0../s1 | KEGG
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| CHEMBL
PC sid
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| n/a | n/a | 343 | n/a | n/a | n/a | n/a | n/a | n/a |
Organix Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]WIN35,428 binding to dopamine transporter using of Cynomolgus monkey caudate-putamen |
J Med Chem 40: 1835-44 (1997)
Article DOI: 10.1021/jm960868t
BindingDB Entry DOI: 10.7270/Q2125RSX |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Macaca fascicularis) | BDBM50279764
(CHEMBL55730 | Diastereiosomer of[N-[2-[(3'-N'-Prop...)Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2CCCN1CCS[Re]2(=O)SCCN2C(=O)C1 |TLB:28:27:4.10.9:6.7,11:10:27:6.7,THB:2:4:27:6.7| Show InChI InChI=1S/C31H41F2N3O4S2.O.Re/c1-39-31(38)29-26-12-11-25(36(26)15-2-14-35(16-18-42)20-28(37)34-13-17-41)19-27(29)40-30(21-3-7-23(32)8-4-21)22-5-9-24(33)10-6-22;;/h3-10,25-27,29-30H,2,11-20H2,1H3,(H3,34,37,41,42);;/q;;+4/p-3/t25?,26?,27-,29+;;/m0../s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
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| CHEMBL
PC sid
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Similars
| Article
PubMed
| n/a | n/a | 343 | n/a | n/a | n/a | n/a | n/a | n/a |
Organix Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]WIN35,428 binding to dopamine transporter using of Cynomolgus monkey caudate-putamen |
J Med Chem 40: 1835-44 (1997)
Article DOI: 10.1021/jm960868t
BindingDB Entry DOI: 10.7270/Q2125RSX |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50058289
((2R,3S)-3-[Bis-(4-fluoro-phenyl)-methoxy]-8-(5-phe...)Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2CCCCCc1ccccc1 |TLB:28:27:4.10.9:6.7,11:10:27:6.7,THB:2:4:27:6.7| Show InChI InChI=1S/C33H37F2NO3/c1-38-33(37)31-29-20-19-28(36(29)21-7-3-6-10-23-8-4-2-5-9-23)22-30(31)39-32(24-11-15-26(34)16-12-24)25-13-17-27(35)18-14-25/h2,4-5,8-9,11-18,28-32H,3,6-7,10,19-22H2,1H3/t28?,29?,30-,31+/m0/s1 | PDB
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| CHEMBL
PC cid
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| Article
PubMed
| n/a | n/a | 550 | n/a | n/a | n/a | n/a | n/a | n/a |
Organix Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]- citalopram binding to serotonin transporter of Cynomolgus monkey caudate-putamen |
J Med Chem 40: 1835-44 (1997)
Article DOI: 10.1021/jm960868t
BindingDB Entry DOI: 10.7270/Q2125RSX |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 2
(Homo sapiens (Human)) | BDBM50598317
(CHEMBL5208562)Show SMILES [O-][N+](=O)c1ccc(NC(=S)NC(=O)c2ccc3OCOc3c2)cc1 | UniProtKB/SwissProt
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| PC cid
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| Article
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| n/a | n/a | 634 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114491
BindingDB Entry DOI: 10.7270/Q2BG2T1P |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 7
(Homo sapiens (Human)) | BDBM50596635
(CHEMBL5184546)Show SMILES NS(=O)(=O)c1ccccc1NC(=S)NC(=O)C12CC3CC(CC(C3)C1)C2 |TLB:23:22:25:19.18.17,23:18:25:22.24.21,THB:21:22:25.20.19:17,21:20:22.24.23:17| | PDB
KEGG
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| PC cid
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| n/a | n/a | 699 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114162
BindingDB Entry DOI: 10.7270/Q2S46X0K |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 2
(Homo sapiens (Human)) | BDBM50596629
(CHEMBL5200337)Show SMILES COc1ccc(NC(=S)NC(=O)C23CC4CC(CC(C4)C2)C3)cc1OC |TLB:19:18:21:15.14.13,19:14:21:18.20.17,THB:17:18:21.16.15:13,17:16:18.20.19:13| | UniProtKB/SwissProt
antibodypedia
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 732 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114162
BindingDB Entry DOI: 10.7270/Q2S46X0K |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 7
(Homo sapiens (Human)) | BDBM50596635
(CHEMBL5184546)Show SMILES NS(=O)(=O)c1ccccc1NC(=S)NC(=O)C12CC3CC(CC(C3)C1)C2 |TLB:23:22:25:19.18.17,23:18:25:22.24.21,THB:21:22:25.20.19:17,21:20:22.24.23:17| | PDB
KEGG
UniProtKB/SwissProt
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| PC cid
PC sid
UniChem
| Article
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| n/a | n/a | 796 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114162
BindingDB Entry DOI: 10.7270/Q2S46X0K |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 2
(Homo sapiens (Human)) | BDBM50596632
(CHEMBL5187239)Show SMILES Nc1c2C(=O)c3ccccc3C(=O)c2c(Nc2ccc(Nc3nc(Cl)nc(Nc4cccc(c4)S(O)=O)n3)c(c2)S(O)(=O)=O)cc1S(O)(=O)=O | UniProtKB/SwissProt
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| PC cid
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| n/a | n/a | 890 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114162
BindingDB Entry DOI: 10.7270/Q2S46X0K |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 7
(Homo sapiens (Human)) | BDBM50598315
(CHEMBL5186938) | PDB
KEGG
UniProtKB/SwissProt
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AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 902 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114491
BindingDB Entry DOI: 10.7270/Q2BG2T1P |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 4
(Homo sapiens (Human)) | BDBM50506159
(CHEMBL1532400)Show InChI InChI=1S/C15H15Br2N3O/c1-9(2)10-6-12(16)14(13(17)7-10)20-15(21)19-11-4-3-5-18-8-11/h3-9H,1-2H3,(H2,19,20,21) | KEGG
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PC sid
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| Article
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| n/a | n/a | 904 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114491
BindingDB Entry DOI: 10.7270/Q2BG2T1P |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 4
(Homo sapiens (Human)) | BDBM50598327
(CHEMBL5178892) | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 908 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114491
BindingDB Entry DOI: 10.7270/Q2BG2T1P |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 4
(Homo sapiens (Human)) | BDBM50598318
(CHEMBL5205239) | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 935 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114491
BindingDB Entry DOI: 10.7270/Q2BG2T1P |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 4
(Homo sapiens (Human)) | BDBM50598320
(CHEMBL5174305)Show SMILES NS(=O)(=O)c1ccc(CCNC(=S)NC(=O)c2ccc3OCOc3c2)cc1 | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.05E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114491
BindingDB Entry DOI: 10.7270/Q2BG2T1P |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 2
(Homo sapiens (Human)) | BDBM50596625
(CHEMBL5174645)Show SMILES Oc1c(Cl)cc(NC(=S)NC(=O)C23CC4CC(CC(C4)C2)C3)cc1Cl |TLB:19:18:21:15.14.13,19:14:21:18.20.17,THB:17:18:21.16.15:13,17:16:18.20.19:13| | UniProtKB/SwissProt
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AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.06E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114162
BindingDB Entry DOI: 10.7270/Q2S46X0K |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50058295
(8-Benzyl-3-(4-fluoro-phenyl)-8-aza-bicyclo[3.2.1]o...)Show SMILES COC(=O)C1C2CCC(CC1c1ccc(F)cc1)N2Cc1ccccc1 |TLB:19:18:4.10.9:6.7,THB:2:4:18:6.7,11:10:18:6.7| Show InChI InChI=1S/C22H24FNO2/c1-26-22(25)21-19(16-7-9-17(23)10-8-16)13-18-11-12-20(21)24(18)14-15-5-3-2-4-6-15/h2-10,18-21H,11-14H2,1H3 | PDB
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| Article
PubMed
| n/a | n/a | 1.07E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Organix Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]- citalopram binding to serotonin transporter of Cynomolgus monkey caudate-putamen |
J Med Chem 40: 1835-44 (1997)
Article DOI: 10.1021/jm960868t
BindingDB Entry DOI: 10.7270/Q2125RSX |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 4
(Homo sapiens (Human)) | BDBM50596633
(CHEMBL5174595)Show SMILES Oc1ccccc1NC(=S)NC(=O)C12CC3CC(CC(C3)C1)C2 |TLB:20:19:22:16.15.14,20:15:22:19.21.18,THB:18:19:22.17.16:14,18:17:19.21.20:14| | KEGG
UniProtKB/SwissProt
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
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114162
BindingDB Entry DOI: 10.7270/Q2S46X0K |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 7
(Homo sapiens (Human)) | BDBM50598315
(CHEMBL5186938) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.11E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114491
BindingDB Entry DOI: 10.7270/Q2BG2T1P |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 7
(Homo sapiens (Human)) | BDBM50598321
(CHEMBL5172890)Show SMILES FC(F)(F)c1cc(Br)cc(NC(=S)NC(=O)c2ccc3OCOc3c2)c1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.25E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114491
BindingDB Entry DOI: 10.7270/Q2BG2T1P |
More data for this
Ligand-Target Pair | |
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