Found 17 hits with Last Name = 'rudin' and Initial = 'd' 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 |
|---|
Transporter
(Rattus norvegicus) | BDBM22417
(3-(2-methoxyphenoxy)-N-methyl-3-phenylpropan-1-ami...)Show InChI InChI=1S/C17H21NO2/c1-18-13-12-15(14-8-4-3-5-9-14)20-17-11-7-6-10-16(17)19-2/h3-11,15,18H,12-13H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/TrEMBL
GoogleScholar
AffyNet 
| Purchase
CHEMBL
DrugBank
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1039/d1md00072a
BindingDB Entry DOI: 10.7270/Q2N301ZH |
More data for this
Ligand-Target Pair | |
Transporter
(Rattus norvegicus) | BDBM50021246
(3-(3,3-dimethyl-1-phenyl-1,3-dihydroisobenzofuran-...)Show InChI InChI=1S/C20H25NO/c1-19(2)17-12-7-8-13-18(17)20(22-19,14-9-15-21-3)16-10-5-4-6-11-16/h4-8,10-13,21H,9,14-15H2,1-3H3 | PDB
Reactome pathway
KEGG
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 4.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1039/d1md00072a
BindingDB Entry DOI: 10.7270/Q2N301ZH |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50177767
(2-(3-sec-Butylimino-6-diethylamino-3H-xanthen-9-yl...)Show SMILES CCN(CC)c1ccc2c(-c3ccc(cc3S([O-])(=O)=O)S(=O)(=O)NCCCCCC(=O)NCCN3C4CCC3[C@H]([C@H](C4)c3ccc(Cl)c(Cl)c3)C(=O)OC)c3ccc(cc3oc2c1)=[N+](CC)CC |wU:39.53,40.44,TLB:33:34:37.36:39.40.41,50:39:37.36:34,(9.98,-40.52,;8.63,-39.74,;8.63,-38.19,;9.98,-37.41,;11.32,-38.19,;7.29,-37.41,;7.28,-35.86,;5.93,-35.08,;4.6,-35.87,;3.26,-35.11,;3.25,-33.56,;4.58,-32.77,;4.57,-31.23,;3.23,-30.47,;1.89,-31.25,;1.9,-32.8,;.57,-33.58,;-.76,-34.36,;1.34,-34.91,;-.22,-32.25,;3.22,-28.93,;1.67,-28.94,;4.76,-28.91,;3.21,-27.39,;4.55,-26.62,;5.88,-27.39,;7.21,-26.62,;7.22,-25.08,;8.55,-24.32,;9.89,-25.09,;9.88,-26.63,;11.22,-24.33,;12.55,-25.1,;12.55,-26.64,;13.88,-27.42,;13.91,-29.95,;12.92,-30.66,;13.22,-29.22,;14.52,-28.51,;15.93,-29.14,;16.3,-30.6,;15.29,-29.88,;17.67,-31.02,;18.71,-30.04,;20.08,-30.45,;20.41,-31.86,;21.78,-32.27,;19.36,-32.84,;19.68,-34.23,;17.99,-32.42,;17.26,-28.36,;17.25,-26.82,;18.6,-29.13,;19.93,-28.35,;1.92,-35.88,;.58,-35.11,;-.76,-35.89,;-.75,-37.44,;.59,-38.21,;1.92,-37.43,;3.27,-38.2,;4.6,-37.42,;5.94,-38.19,;-2.1,-38.21,;-3.44,-37.44,;-4.78,-38.21,;-2.09,-39.76,;-3.44,-40.53,)| Show InChI InChI=1S/C50H61Cl2N5O9S2/c1-6-55(7-2)33-15-19-37-44(29-33)66-45-30-34(56(8-3)9-4)16-20-38(45)48(37)39-21-18-36(31-46(39)68(62,63)64)67(60,61)54-24-12-10-11-13-47(58)53-25-26-57-35-17-23-43(57)49(50(59)65-5)40(28-35)32-14-22-41(51)42(52)27-32/h14-16,18-22,27,29-31,35,40,43,49,54H,6-13,17,23-26,28H2,1-5H3,(H-,53,58,62,63,64)/t35?,40-,43?,49+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1039/d1md00072a
BindingDB Entry DOI: 10.7270/Q2N301ZH |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Rattus norvegicus (rat)) | BDBM50177767
(2-(3-sec-Butylimino-6-diethylamino-3H-xanthen-9-yl...)Show SMILES CCN(CC)c1ccc2c(-c3ccc(cc3S([O-])(=O)=O)S(=O)(=O)NCCCCCC(=O)NCCN3C4CCC3[C@H]([C@H](C4)c3ccc(Cl)c(Cl)c3)C(=O)OC)c3ccc(cc3oc2c1)=[N+](CC)CC |wU:39.53,40.44,TLB:33:34:37.36:39.40.41,50:39:37.36:34,(9.98,-40.52,;8.63,-39.74,;8.63,-38.19,;9.98,-37.41,;11.32,-38.19,;7.29,-37.41,;7.28,-35.86,;5.93,-35.08,;4.6,-35.87,;3.26,-35.11,;3.25,-33.56,;4.58,-32.77,;4.57,-31.23,;3.23,-30.47,;1.89,-31.25,;1.9,-32.8,;.57,-33.58,;-.76,-34.36,;1.34,-34.91,;-.22,-32.25,;3.22,-28.93,;1.67,-28.94,;4.76,-28.91,;3.21,-27.39,;4.55,-26.62,;5.88,-27.39,;7.21,-26.62,;7.22,-25.08,;8.55,-24.32,;9.89,-25.09,;9.88,-26.63,;11.22,-24.33,;12.55,-25.1,;12.55,-26.64,;13.88,-27.42,;13.91,-29.95,;12.92,-30.66,;13.22,-29.22,;14.52,-28.51,;15.93,-29.14,;16.3,-30.6,;15.29,-29.88,;17.67,-31.02,;18.71,-30.04,;20.08,-30.45,;20.41,-31.86,;21.78,-32.27,;19.36,-32.84,;19.68,-34.23,;17.99,-32.42,;17.26,-28.36,;17.25,-26.82,;18.6,-29.13,;19.93,-28.35,;1.92,-35.88,;.58,-35.11,;-.76,-35.89,;-.75,-37.44,;.59,-38.21,;1.92,-37.43,;3.27,-38.2,;4.6,-37.42,;5.94,-38.19,;-2.1,-38.21,;-3.44,-37.44,;-4.78,-38.21,;-2.09,-39.76,;-3.44,-40.53,)| Show InChI InChI=1S/C50H61Cl2N5O9S2/c1-6-55(7-2)33-15-19-37-44(29-33)66-45-30-34(56(8-3)9-4)16-20-38(45)48(37)39-21-18-36(31-46(39)68(62,63)64)67(60,61)54-24-12-10-11-13-47(58)53-25-26-57-35-17-23-43(57)49(50(59)65-5)40(28-35)32-14-22-41(51)42(52)27-32/h14-16,18-22,27,29-31,35,40,43,49,54H,6-13,17,23-26,28H2,1-5H3,(H-,53,58,62,63,64)/t35?,40-,43?,49+/m1/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1039/d1md00072a
BindingDB Entry DOI: 10.7270/Q2N301ZH |
More data for this
Ligand-Target Pair | |
Transporter
(Rattus norvegicus) | BDBM50597616
(CHEMBL5188712)Show SMILES CCN(CC)c1ccc2c(-c3ccc(cc3S([O-])(=O)=O)S(=O)(=O)NCCCCCC(=O)NCc3cccc(c3)C(CCNC)Oc3ccccc3OC)c3ccc(cc3oc2c1)=[N+](CC)CC |(-8.01,9.63,;-8.01,11.17,;-6.68,11.94,;-6.68,13.48,;-8.01,14.25,;-5.34,11.17,;-5.34,9.62,;-4,8.85,;-2.67,9.62,;-1.32,8.85,;-1.32,7.31,;-2.66,6.53,;-2.65,4.99,;-1.32,4.23,;.01,5,;.01,6.54,;1.34,7.31,;2.68,6.54,;2.12,8.64,;.58,8.64,;-1.32,2.69,;-2.87,2.69,;-2.1,1.36,;.01,1.92,;1.34,2.69,;2.68,1.92,;2.68,.38,;4.01,-.39,;4.01,-1.93,;5.34,-2.7,;6.68,-1.93,;5.34,-4.24,;6.68,-5.01,;6.68,-6.55,;8.01,-7.32,;8.01,-8.85,;6.68,-9.62,;5.35,-8.86,;5.34,-7.32,;4.01,-9.63,;2.68,-8.86,;1.35,-9.63,;.01,-8.86,;-1.32,-9.63,;4.01,-11.17,;2.68,-11.94,;1.34,-11.17,;.01,-11.94,;.02,-13.48,;1.35,-14.25,;2.68,-13.48,;4.01,-14.25,;5.35,-13.48,;.01,9.63,;1.35,8.86,;2.68,9.64,;2.67,11.17,;1.34,11.94,;.01,11.17,;-1.33,11.94,;-2.67,11.17,;-4,11.94,;4.01,11.94,;4.01,13.48,;2.67,14.25,;5.34,11.17,;5.34,9.63,)| | PDB
Reactome pathway
KEGG
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 43 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1039/d1md00072a
BindingDB Entry DOI: 10.7270/Q2N301ZH |
More data for this
Ligand-Target Pair | |
Transporter
(Rattus norvegicus) | BDBM50177767
(2-(3-sec-Butylimino-6-diethylamino-3H-xanthen-9-yl...)Show SMILES CCN(CC)c1ccc2c(-c3ccc(cc3S([O-])(=O)=O)S(=O)(=O)NCCCCCC(=O)NCCN3C4CCC3[C@H]([C@H](C4)c3ccc(Cl)c(Cl)c3)C(=O)OC)c3ccc(cc3oc2c1)=[N+](CC)CC |wU:39.53,40.44,TLB:33:34:37.36:39.40.41,50:39:37.36:34,(9.98,-40.52,;8.63,-39.74,;8.63,-38.19,;9.98,-37.41,;11.32,-38.19,;7.29,-37.41,;7.28,-35.86,;5.93,-35.08,;4.6,-35.87,;3.26,-35.11,;3.25,-33.56,;4.58,-32.77,;4.57,-31.23,;3.23,-30.47,;1.89,-31.25,;1.9,-32.8,;.57,-33.58,;-.76,-34.36,;1.34,-34.91,;-.22,-32.25,;3.22,-28.93,;1.67,-28.94,;4.76,-28.91,;3.21,-27.39,;4.55,-26.62,;5.88,-27.39,;7.21,-26.62,;7.22,-25.08,;8.55,-24.32,;9.89,-25.09,;9.88,-26.63,;11.22,-24.33,;12.55,-25.1,;12.55,-26.64,;13.88,-27.42,;13.91,-29.95,;12.92,-30.66,;13.22,-29.22,;14.52,-28.51,;15.93,-29.14,;16.3,-30.6,;15.29,-29.88,;17.67,-31.02,;18.71,-30.04,;20.08,-30.45,;20.41,-31.86,;21.78,-32.27,;19.36,-32.84,;19.68,-34.23,;17.99,-32.42,;17.26,-28.36,;17.25,-26.82,;18.6,-29.13,;19.93,-28.35,;1.92,-35.88,;.58,-35.11,;-.76,-35.89,;-.75,-37.44,;.59,-38.21,;1.92,-37.43,;3.27,-38.2,;4.6,-37.42,;5.94,-38.19,;-2.1,-38.21,;-3.44,-37.44,;-4.78,-38.21,;-2.09,-39.76,;-3.44,-40.53,)| Show InChI InChI=1S/C50H61Cl2N5O9S2/c1-6-55(7-2)33-15-19-37-44(29-33)66-45-30-34(56(8-3)9-4)16-20-38(45)48(37)39-21-18-36(31-46(39)68(62,63)64)67(60,61)54-24-12-10-11-13-47(58)53-25-26-57-35-17-23-43(57)49(50(59)65-5)40(28-35)32-14-22-41(51)42(52)27-32/h14-16,18-22,27,29-31,35,40,43,49,54H,6-13,17,23-26,28H2,1-5H3,(H-,53,58,62,63,64)/t35?,40-,43?,49+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 79 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1039/d1md00072a
BindingDB Entry DOI: 10.7270/Q2N301ZH |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50597616
(CHEMBL5188712)Show SMILES CCN(CC)c1ccc2c(-c3ccc(cc3S([O-])(=O)=O)S(=O)(=O)NCCCCCC(=O)NCc3cccc(c3)C(CCNC)Oc3ccccc3OC)c3ccc(cc3oc2c1)=[N+](CC)CC |(-8.01,9.63,;-8.01,11.17,;-6.68,11.94,;-6.68,13.48,;-8.01,14.25,;-5.34,11.17,;-5.34,9.62,;-4,8.85,;-2.67,9.62,;-1.32,8.85,;-1.32,7.31,;-2.66,6.53,;-2.65,4.99,;-1.32,4.23,;.01,5,;.01,6.54,;1.34,7.31,;2.68,6.54,;2.12,8.64,;.58,8.64,;-1.32,2.69,;-2.87,2.69,;-2.1,1.36,;.01,1.92,;1.34,2.69,;2.68,1.92,;2.68,.38,;4.01,-.39,;4.01,-1.93,;5.34,-2.7,;6.68,-1.93,;5.34,-4.24,;6.68,-5.01,;6.68,-6.55,;8.01,-7.32,;8.01,-8.85,;6.68,-9.62,;5.35,-8.86,;5.34,-7.32,;4.01,-9.63,;2.68,-8.86,;1.35,-9.63,;.01,-8.86,;-1.32,-9.63,;4.01,-11.17,;2.68,-11.94,;1.34,-11.17,;.01,-11.94,;.02,-13.48,;1.35,-14.25,;2.68,-13.48,;4.01,-14.25,;5.35,-13.48,;.01,9.63,;1.35,8.86,;2.68,9.64,;2.67,11.17,;1.34,11.94,;.01,11.17,;-1.33,11.94,;-2.67,11.17,;-4,11.94,;4.01,11.94,;4.01,13.48,;2.67,14.25,;5.34,11.17,;5.34,9.63,)| | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 785 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1039/d1md00072a
BindingDB Entry DOI: 10.7270/Q2N301ZH |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50021246
(3-(3,3-dimethyl-1-phenyl-1,3-dihydroisobenzofuran-...)Show InChI InChI=1S/C20H25NO/c1-19(2)17-12-7-8-13-18(17)20(22-19,14-9-15-21-3)16-10-5-4-6-11-16/h4-8,10-13,21H,9,14-15H2,1-3H3 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 795 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1039/d1md00072a
BindingDB Entry DOI: 10.7270/Q2N301ZH |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Rattus norvegicus (rat)) | BDBM50597618
(CHEMBL5176356)Show SMILES CCN(CC)c1ccc2c(-c3ccc(cc3S([O-])(=O)=O)S(=O)(=O)NCCCCCC(=O)NCc3ccc4c(c3)C(C)(C)OC4(CCCNC)c3ccccc3)c3ccc(cc3oc2c1)=[N+](CC)CC |(-13.21,5.78,;-13.21,7.32,;-11.88,8.09,;-11.88,9.63,;-13.21,10.4,;-10.54,7.32,;-10.54,5.77,;-9.2,5,;-7.87,5.77,;-6.52,5,;-6.52,3.46,;-7.86,2.68,;-7.85,1.14,;-6.52,.38,;-5.19,1.15,;-5.19,2.69,;-3.86,3.46,;-2.52,2.69,;-4.62,4.79,;-3.08,4.79,;-6.52,-1.16,;-8.07,-1.16,;-7.3,-2.49,;-5.19,-1.93,;-5.19,-3.47,;-3.86,-4.24,;-3.86,-5.78,;-2.52,-6.55,;-2.52,-8.09,;-1.19,-8.86,;-1.19,-10.4,;.14,-8.09,;1.48,-8.86,;2.81,-8.09,;2.81,-6.55,;4.14,-5.78,;5.48,-6.55,;5.48,-8.09,;4.15,-8.86,;6.93,-8.54,;6.53,-10.03,;8.02,-9.63,;7.84,-7.3,;6.97,-6.09,;8.06,-4.99,;9.55,-5.39,;10.64,-4.3,;12.12,-4.7,;13.21,-3.61,;6.57,-4.6,;5.08,-4.2,;4.69,-2.72,;5.77,-1.63,;7.26,-2.02,;7.66,-3.5,;-5.19,5.78,;-3.85,5.01,;-2.52,5.79,;-2.53,7.32,;-3.86,8.09,;-5.19,7.32,;-6.53,8.09,;-7.87,7.32,;-9.2,8.09,;-1.19,8.09,;-1.19,9.63,;-2.53,10.4,;.14,7.32,;.14,5.78,)| | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 964 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1039/d1md00072a
BindingDB Entry DOI: 10.7270/Q2N301ZH |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50597618
(CHEMBL5176356)Show SMILES CCN(CC)c1ccc2c(-c3ccc(cc3S([O-])(=O)=O)S(=O)(=O)NCCCCCC(=O)NCc3ccc4c(c3)C(C)(C)OC4(CCCNC)c3ccccc3)c3ccc(cc3oc2c1)=[N+](CC)CC |(-13.21,5.78,;-13.21,7.32,;-11.88,8.09,;-11.88,9.63,;-13.21,10.4,;-10.54,7.32,;-10.54,5.77,;-9.2,5,;-7.87,5.77,;-6.52,5,;-6.52,3.46,;-7.86,2.68,;-7.85,1.14,;-6.52,.38,;-5.19,1.15,;-5.19,2.69,;-3.86,3.46,;-2.52,2.69,;-4.62,4.79,;-3.08,4.79,;-6.52,-1.16,;-8.07,-1.16,;-7.3,-2.49,;-5.19,-1.93,;-5.19,-3.47,;-3.86,-4.24,;-3.86,-5.78,;-2.52,-6.55,;-2.52,-8.09,;-1.19,-8.86,;-1.19,-10.4,;.14,-8.09,;1.48,-8.86,;2.81,-8.09,;2.81,-6.55,;4.14,-5.78,;5.48,-6.55,;5.48,-8.09,;4.15,-8.86,;6.93,-8.54,;6.53,-10.03,;8.02,-9.63,;7.84,-7.3,;6.97,-6.09,;8.06,-4.99,;9.55,-5.39,;10.64,-4.3,;12.12,-4.7,;13.21,-3.61,;6.57,-4.6,;5.08,-4.2,;4.69,-2.72,;5.77,-1.63,;7.26,-2.02,;7.66,-3.5,;-5.19,5.78,;-3.85,5.01,;-2.52,5.79,;-2.53,7.32,;-3.86,8.09,;-5.19,7.32,;-6.53,8.09,;-7.87,7.32,;-9.2,8.09,;-1.19,8.09,;-1.19,9.63,;-2.53,10.4,;.14,7.32,;.14,5.78,)| | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.14E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1039/d1md00072a
BindingDB Entry DOI: 10.7270/Q2N301ZH |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Rattus norvegicus (rat)) | BDBM50597616
(CHEMBL5188712)Show SMILES CCN(CC)c1ccc2c(-c3ccc(cc3S([O-])(=O)=O)S(=O)(=O)NCCCCCC(=O)NCc3cccc(c3)C(CCNC)Oc3ccccc3OC)c3ccc(cc3oc2c1)=[N+](CC)CC |(-8.01,9.63,;-8.01,11.17,;-6.68,11.94,;-6.68,13.48,;-8.01,14.25,;-5.34,11.17,;-5.34,9.62,;-4,8.85,;-2.67,9.62,;-1.32,8.85,;-1.32,7.31,;-2.66,6.53,;-2.65,4.99,;-1.32,4.23,;.01,5,;.01,6.54,;1.34,7.31,;2.68,6.54,;2.12,8.64,;.58,8.64,;-1.32,2.69,;-2.87,2.69,;-2.1,1.36,;.01,1.92,;1.34,2.69,;2.68,1.92,;2.68,.38,;4.01,-.39,;4.01,-1.93,;5.34,-2.7,;6.68,-1.93,;5.34,-4.24,;6.68,-5.01,;6.68,-6.55,;8.01,-7.32,;8.01,-8.85,;6.68,-9.62,;5.35,-8.86,;5.34,-7.32,;4.01,-9.63,;2.68,-8.86,;1.35,-9.63,;.01,-8.86,;-1.32,-9.63,;4.01,-11.17,;2.68,-11.94,;1.34,-11.17,;.01,-11.94,;.02,-13.48,;1.35,-14.25,;2.68,-13.48,;4.01,-14.25,;5.35,-13.48,;.01,9.63,;1.35,8.86,;2.68,9.64,;2.67,11.17,;1.34,11.94,;.01,11.17,;-1.33,11.94,;-2.67,11.17,;-4,11.94,;4.01,11.94,;4.01,13.48,;2.67,14.25,;5.34,11.17,;5.34,9.63,)| | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.54E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1039/d1md00072a
BindingDB Entry DOI: 10.7270/Q2N301ZH |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Rattus norvegicus (rat)) | BDBM50597617
(CHEMBL5170876)Show SMILES CCN(CC)c1ccc2c(-c3ccc(cc3S([O-])(=O)=O)S(=O)(=O)NCCCCCC(=O)NCCNCCCC3(OC(C)(C)c4ccccc34)c3ccccc3)c3ccc(cc3oc2c1)=[N+](CC)CC |(-13.51,6.61,;-13.51,8.15,;-12.18,8.92,;-12.18,10.46,;-13.51,11.23,;-10.84,8.15,;-10.84,6.6,;-9.5,5.83,;-8.17,6.61,;-6.82,5.83,;-6.82,4.29,;-8.16,3.52,;-8.15,1.98,;-6.82,1.21,;-5.49,1.98,;-5.49,3.52,;-4.15,4.29,;-2.82,3.52,;-3.38,5.63,;-4.92,5.63,;-6.82,-.33,;-8.37,-.33,;-7.6,-1.66,;-5.49,-1.09,;-5.49,-2.63,;-4.16,-3.4,;-4.16,-4.94,;-2.82,-5.71,;-2.82,-7.25,;-1.49,-8.02,;-1.49,-9.56,;-.16,-7.25,;1.18,-8.02,;2.51,-7.25,;3.84,-8.02,;5.18,-7.25,;6.51,-8.02,;7.85,-7.25,;9.18,-8.02,;9.51,-9.52,;11.05,-9.69,;11.05,-11.23,;12.38,-10.46,;11.67,-8.32,;13.17,-7.85,;13.51,-6.32,;12.36,-5.26,;10.86,-5.73,;10.51,-7.25,;9.18,-6.48,;7.85,-5.71,;7.85,-4.18,;9.18,-3.41,;10.51,-4.17,;10.52,-5.71,;-5.49,6.61,;-4.15,5.84,;-2.82,6.62,;-2.83,8.15,;-4.16,8.92,;-5.49,8.15,;-6.83,8.93,;-8.17,8.15,;-9.5,8.93,;-1.49,8.92,;-1.49,10.46,;-2.83,11.23,;-.16,8.15,;-.16,6.61,)| | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 4.87E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1039/d1md00072a
BindingDB Entry DOI: 10.7270/Q2N301ZH |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Rattus norvegicus (rat)) | BDBM50021246
(3-(3,3-dimethyl-1-phenyl-1,3-dihydroisobenzofuran-...)Show InChI InChI=1S/C20H25NO/c1-19(2)17-12-7-8-13-18(17)20(22-19,14-9-15-21-3)16-10-5-4-6-11-16/h4-8,10-13,21H,9,14-15H2,1-3H3 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1039/d1md00072a
BindingDB Entry DOI: 10.7270/Q2N301ZH |
More data for this
Ligand-Target Pair | |
Transporter
(Rattus norvegicus) | BDBM50597618
(CHEMBL5176356)Show SMILES CCN(CC)c1ccc2c(-c3ccc(cc3S([O-])(=O)=O)S(=O)(=O)NCCCCCC(=O)NCc3ccc4c(c3)C(C)(C)OC4(CCCNC)c3ccccc3)c3ccc(cc3oc2c1)=[N+](CC)CC |(-13.21,5.78,;-13.21,7.32,;-11.88,8.09,;-11.88,9.63,;-13.21,10.4,;-10.54,7.32,;-10.54,5.77,;-9.2,5,;-7.87,5.77,;-6.52,5,;-6.52,3.46,;-7.86,2.68,;-7.85,1.14,;-6.52,.38,;-5.19,1.15,;-5.19,2.69,;-3.86,3.46,;-2.52,2.69,;-4.62,4.79,;-3.08,4.79,;-6.52,-1.16,;-8.07,-1.16,;-7.3,-2.49,;-5.19,-1.93,;-5.19,-3.47,;-3.86,-4.24,;-3.86,-5.78,;-2.52,-6.55,;-2.52,-8.09,;-1.19,-8.86,;-1.19,-10.4,;.14,-8.09,;1.48,-8.86,;2.81,-8.09,;2.81,-6.55,;4.14,-5.78,;5.48,-6.55,;5.48,-8.09,;4.15,-8.86,;6.93,-8.54,;6.53,-10.03,;8.02,-9.63,;7.84,-7.3,;6.97,-6.09,;8.06,-4.99,;9.55,-5.39,;10.64,-4.3,;12.12,-4.7,;13.21,-3.61,;6.57,-4.6,;5.08,-4.2,;4.69,-2.72,;5.77,-1.63,;7.26,-2.02,;7.66,-3.5,;-5.19,5.78,;-3.85,5.01,;-2.52,5.79,;-2.53,7.32,;-3.86,8.09,;-5.19,7.32,;-6.53,8.09,;-7.87,7.32,;-9.2,8.09,;-1.19,8.09,;-1.19,9.63,;-2.53,10.4,;.14,7.32,;.14,5.78,)| | PDB
Reactome pathway
KEGG
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1039/d1md00072a
BindingDB Entry DOI: 10.7270/Q2N301ZH |
More data for this
Ligand-Target Pair | |
Transporter
(Rattus norvegicus) | BDBM50597617
(CHEMBL5170876)Show SMILES CCN(CC)c1ccc2c(-c3ccc(cc3S([O-])(=O)=O)S(=O)(=O)NCCCCCC(=O)NCCNCCCC3(OC(C)(C)c4ccccc34)c3ccccc3)c3ccc(cc3oc2c1)=[N+](CC)CC |(-13.51,6.61,;-13.51,8.15,;-12.18,8.92,;-12.18,10.46,;-13.51,11.23,;-10.84,8.15,;-10.84,6.6,;-9.5,5.83,;-8.17,6.61,;-6.82,5.83,;-6.82,4.29,;-8.16,3.52,;-8.15,1.98,;-6.82,1.21,;-5.49,1.98,;-5.49,3.52,;-4.15,4.29,;-2.82,3.52,;-3.38,5.63,;-4.92,5.63,;-6.82,-.33,;-8.37,-.33,;-7.6,-1.66,;-5.49,-1.09,;-5.49,-2.63,;-4.16,-3.4,;-4.16,-4.94,;-2.82,-5.71,;-2.82,-7.25,;-1.49,-8.02,;-1.49,-9.56,;-.16,-7.25,;1.18,-8.02,;2.51,-7.25,;3.84,-8.02,;5.18,-7.25,;6.51,-8.02,;7.85,-7.25,;9.18,-8.02,;9.51,-9.52,;11.05,-9.69,;11.05,-11.23,;12.38,-10.46,;11.67,-8.32,;13.17,-7.85,;13.51,-6.32,;12.36,-5.26,;10.86,-5.73,;10.51,-7.25,;9.18,-6.48,;7.85,-5.71,;7.85,-4.18,;9.18,-3.41,;10.51,-4.17,;10.52,-5.71,;-5.49,6.61,;-4.15,5.84,;-2.82,6.62,;-2.83,8.15,;-4.16,8.92,;-5.49,8.15,;-6.83,8.93,;-8.17,8.15,;-9.5,8.93,;-1.49,8.92,;-1.49,10.46,;-2.83,11.23,;-.16,8.15,;-.16,6.61,)| | PDB
Reactome pathway
KEGG
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1039/d1md00072a
BindingDB Entry DOI: 10.7270/Q2N301ZH |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50597617
(CHEMBL5170876)Show SMILES CCN(CC)c1ccc2c(-c3ccc(cc3S([O-])(=O)=O)S(=O)(=O)NCCCCCC(=O)NCCNCCCC3(OC(C)(C)c4ccccc34)c3ccccc3)c3ccc(cc3oc2c1)=[N+](CC)CC |(-13.51,6.61,;-13.51,8.15,;-12.18,8.92,;-12.18,10.46,;-13.51,11.23,;-10.84,8.15,;-10.84,6.6,;-9.5,5.83,;-8.17,6.61,;-6.82,5.83,;-6.82,4.29,;-8.16,3.52,;-8.15,1.98,;-6.82,1.21,;-5.49,1.98,;-5.49,3.52,;-4.15,4.29,;-2.82,3.52,;-3.38,5.63,;-4.92,5.63,;-6.82,-.33,;-8.37,-.33,;-7.6,-1.66,;-5.49,-1.09,;-5.49,-2.63,;-4.16,-3.4,;-4.16,-4.94,;-2.82,-5.71,;-2.82,-7.25,;-1.49,-8.02,;-1.49,-9.56,;-.16,-7.25,;1.18,-8.02,;2.51,-7.25,;3.84,-8.02,;5.18,-7.25,;6.51,-8.02,;7.85,-7.25,;9.18,-8.02,;9.51,-9.52,;11.05,-9.69,;11.05,-11.23,;12.38,-10.46,;11.67,-8.32,;13.17,-7.85,;13.51,-6.32,;12.36,-5.26,;10.86,-5.73,;10.51,-7.25,;9.18,-6.48,;7.85,-5.71,;7.85,-4.18,;9.18,-3.41,;10.51,-4.17,;10.52,-5.71,;-5.49,6.61,;-4.15,5.84,;-2.82,6.62,;-2.83,8.15,;-4.16,8.92,;-5.49,8.15,;-6.83,8.93,;-8.17,8.15,;-9.5,8.93,;-1.49,8.92,;-1.49,10.46,;-2.83,11.23,;-.16,8.15,;-.16,6.61,)| | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1039/d1md00072a
BindingDB Entry DOI: 10.7270/Q2N301ZH |
More data for this
Ligand-Target Pair | |
Peptidoglycan D,D-transpeptidase FtsI
(Pseudomonas aeruginosa) | BDBM50538667
(CHEMBL4634190)Show SMILES CC(C)(O\N=C(/C(=O)N[C@H]1CN2CC(C(=O)NCCN3C(=O)c4cc(O)c(O)cc4C3=O)=C(N2C1=O)C(O)=O)c1csc(N)n1)C(O)=O |r,c:33| Show InChI InChI=1S/C27H26N8O12S/c1-27(2,25(45)46)47-32-17(14-9-48-26(28)31-14)20(39)30-13-8-33-7-12(18(24(43)44)35(33)23(13)42)19(38)29-3-4-34-21(40)10-5-15(36)16(37)6-11(10)22(34)41/h5-6,9,13,36-37H,3-4,7-8H2,1-2H3,(H2,28,31)(H,29,38)(H,30,39)(H,43,44)(H,45,46)/b32-17-/t13-/m0/s1 | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Louis Stokes Cleveland Department of Veterans Affairs Medical Center
Curated by ChEMBL
| Assay Description
Inhibition of Pseudomonas aeruginosa PBP3 assessed as reduction in fluorescence intensity of bocillin labeled protein pre-incubated for 20 mins befor... |
J Med Chem 63: 5990-6002 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00255
BindingDB Entry DOI: 10.7270/Q25142S5 |
More data for this
Ligand-Target Pair | |
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