BindingDB logo
myBDB logout

PubMed code 16821765

Compile data set for download or QSAR
Found 29 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50084717
PNG
((+)-(1R,2R,3S,5S)-methyl 3-(benzoyloxy)-8-methyl-8...)
Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1C(=O)Oc1ccccc1)N2C |THB:2:4:20:6.7|
Show InChI InChI=1S/C17H21NO4/c1-18-11-8-9-14(18)15(17(20)21-2)13(10-11)16(19)22-12-6-4-3-5-7-12/h3-7,11,13-15H,8-10H2,1-2H3/t11?,13-,14?,15-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 226n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of [3H]WIN-35428 binding to rat DAT expressed in D8 cells

J Med Chem 49: 4048-51 (2006)


Article DOI: 10.1021/jm0601654
BindingDB Entry DOI: 10.7270/Q2FJ2HM6
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50190380
PNG
(CHEMBL374492 | bip-tyr-thr-pro-thr(obzl)-gly)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)C(C)c1ccc(cc1)-c1ccc(C[C@H](N)C(O)=O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)OCc1ccccc1)C(=O)NCC(O)=O
Show InChI InChI=1S/C50H61N7O12/c1-28(34-17-19-36(20-18-34)35-15-11-31(12-16-35)24-38(51)50(67)68)42(52)47(64)54-39(25-32-13-21-37(59)22-14-32)45(62)55-43(29(2)58)49(66)57-23-7-10-40(57)46(63)56-44(48(65)53-26-41(60)61)30(3)69-27-33-8-5-4-6-9-33/h4-6,8-9,11-22,28-30,38-40,42-44,58-59H,7,10,23-27,51-52H2,1-3H3,(H,53,65)(H,54,64)(H,55,62)(H,56,63)(H,60,61)(H,67,68)/t28?,29-,30-,38+,39+,40+,42+,43+,44+/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 300n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of rat DAT-mediated [3H]dopamine uptake in CHO cells

J Med Chem 49: 4048-51 (2006)


Article DOI: 10.1021/jm0601654
BindingDB Entry DOI: 10.7270/Q2FJ2HM6
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50084717
PNG
((+)-(1R,2R,3S,5S)-methyl 3-(benzoyloxy)-8-methyl-8...)
Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1C(=O)Oc1ccccc1)N2C |THB:2:4:20:6.7|
Show InChI InChI=1S/C17H21NO4/c1-18-11-8-9-14(18)15(17(20)21-2)13(10-11)16(19)22-12-6-4-3-5-7-12/h3-7,11,13-15H,8-10H2,1-2H3/t11?,13-,14?,15-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 300n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of rat DAT-mediated [3H]dopamine uptake in CHO cells

J Med Chem 49: 4048-51 (2006)


Article DOI: 10.1021/jm0601654
BindingDB Entry DOI: 10.7270/Q2FJ2HM6
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50084717
PNG
((+)-(1R,2R,3S,5S)-methyl 3-(benzoyloxy)-8-methyl-8...)
Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1C(=O)Oc1ccccc1)N2C |THB:2:4:20:6.7|
Show InChI InChI=1S/C17H21NO4/c1-18-11-8-9-14(18)15(17(20)21-2)13(10-11)16(19)22-12-6-4-3-5-7-12/h3-7,11,13-15H,8-10H2,1-2H3/t11?,13-,14?,15-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 400n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of rat SERT-mediated serotonin uptake in CHO cells

J Med Chem 49: 4048-51 (2006)


Article DOI: 10.1021/jm0601654
BindingDB Entry DOI: 10.7270/Q2FJ2HM6
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50190380
PNG
(CHEMBL374492 | bip-tyr-thr-pro-thr(obzl)-gly)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)C(C)c1ccc(cc1)-c1ccc(C[C@H](N)C(O)=O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)OCc1ccccc1)C(=O)NCC(O)=O
Show InChI InChI=1S/C50H61N7O12/c1-28(34-17-19-36(20-18-34)35-15-11-31(12-16-35)24-38(51)50(67)68)42(52)47(64)54-39(25-32-13-21-37(59)22-14-32)45(62)55-43(29(2)58)49(66)57-23-7-10-40(57)46(63)56-44(48(65)53-26-41(60)61)30(3)69-27-33-8-5-4-6-9-33/h4-6,8-9,11-22,28-30,38-40,42-44,58-59H,7,10,23-27,51-52H2,1-3H3,(H,53,65)(H,54,64)(H,55,62)(H,56,63)(H,60,61)(H,67,68)/t28?,29-,30-,38+,39+,40+,42+,43+,44+/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 494n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of [3H]WIN-35428 binding to rat DAT expressed in D8 cells

J Med Chem 49: 4048-51 (2006)


Article DOI: 10.1021/jm0601654
BindingDB Entry DOI: 10.7270/Q2FJ2HM6
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50190379
PNG
(CHEMBL439332 | bip-tyr-thr-ala-pro-phe)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)Cc1ccc(cc1)-c1ccc(C[C@H](N)C(O)=O)cc1)C(=O)N1CCCC1C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C45H52N6O10/c1-26(52)39(43(57)51-21-5-8-38(51)42(56)49-37(45(60)61)25-27-6-3-2-4-7-27)50-41(55)36(24-30-13-19-33(53)20-14-30)48-40(54)34(46)22-28-9-15-31(16-10-28)32-17-11-29(12-18-32)23-35(47)44(58)59/h2-4,6-7,9-20,26,34-39,52-53H,5,8,21-25,46-47H2,1H3,(H,48,54)(H,49,56)(H,50,55)(H,58,59)(H,60,61)/t26-,34+,35+,36+,37+,38?,39+/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 900n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of rat DAT-mediated [3H]dopamine uptake in CHO cells

J Med Chem 49: 4048-51 (2006)


Article DOI: 10.1021/jm0601654
BindingDB Entry DOI: 10.7270/Q2FJ2HM6
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))		BDBM50084717
PNG
((+)-(1R,2R,3S,5S)-methyl 3-(benzoyloxy)-8-methyl-8...)
Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1C(=O)Oc1ccccc1)N2C |THB:2:4:20:6.7|
Show InChI InChI=1S/C17H21NO4/c1-18-11-8-9-14(18)15(17(20)21-2)13(10-11)16(19)22-12-6-4-3-5-7-12/h3-7,11,13-15H,8-10H2,1-2H3/t11?,13-,14?,15-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 900n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of rat NET-mediated norepinephrine uptake in CHO cells

J Med Chem 49: 4048-51 (2006)


Article DOI: 10.1021/jm0601654
BindingDB Entry DOI: 10.7270/Q2FJ2HM6
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50190385
PNG
(CHEMBL219358 | bip-tyr-thr-pro-ala-thr(obzl)-gly)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)Cc1ccc(cc1)-c1ccc(C[C@H](N)C(O)=O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)OCc1ccccc1)C(=O)NCC(O)=O
Show InChI InChI=1S/C55H71N9O13/c1-32(65)47(54(74)64-26-8-12-45(64)52(72)60-43(11-6-7-25-56)50(70)63-48(53(73)59-30-46(67)68)33(2)77-31-37-9-4-3-5-10-37)62-51(71)44(29-36-17-23-40(66)24-18-36)61-49(69)41(57)27-34-13-19-38(20-14-34)39-21-15-35(16-22-39)28-42(58)55(75)76/h3-5,9-10,13-24,32-33,41-45,47-48,65-66H,6-8,11-12,25-31,56-58H2,1-2H3,(H,59,73)(H,60,72)(H,61,69)(H,62,71)(H,63,70)(H,67,68)(H,75,76)/t32-,33?,41+,42+,43+,44+,45+,47+,48+/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1.70E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of rat DAT-mediated [3H]dopamine uptake in CHO cells

J Med Chem 49: 4048-51 (2006)


Article DOI: 10.1021/jm0601654
BindingDB Entry DOI: 10.7270/Q2FJ2HM6
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50190387
PNG
(CHEMBL428483 | bip-tyr-thr-pro-lys-thr(obzl)-gly)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)Cc1ccc(cc1)-c1ccc(C[C@H](N)C(O)=O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)OCc1ccccc1)C(=O)NCC(O)=O
Show InChI InChI=1S/C55H71N9O13/c1-32(65)47(54(74)64-26-8-12-45(64)52(72)60-43(11-6-7-25-56)50(70)63-48(53(73)59-30-46(67)68)33(2)77-31-37-9-4-3-5-10-37)62-51(71)44(29-36-17-23-40(66)24-18-36)61-49(69)41(57)27-34-13-19-38(20-14-34)39-21-15-35(16-22-39)28-42(58)55(75)76/h3-5,9-10,13-24,32-33,41-45,47-48,65-66H,6-8,11-12,25-31,56-58H2,1-2H3,(H,59,73)(H,60,72)(H,61,69)(H,62,71)(H,63,70)(H,67,68)(H,75,76)/t32-,33-,41+,42+,43+,44+,45+,47+,48+/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1.80E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of rat DAT-mediated [3H]dopamine uptake in CHO cells

J Med Chem 49: 4048-51 (2006)


Article DOI: 10.1021/jm0601654
BindingDB Entry DOI: 10.7270/Q2FJ2HM6
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50190388
PNG
(CHEMBL385983 | bip-tyr(3bzl)-thr-pro-lys-thr)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)c(Cc2ccccc2)c1)NC(=O)[C@@H](N)Cc1ccc(cc1)-c1ccc(C[C@H](N)C(O)=O)cc1)[C@@H](C)O)C(O)=O
Show InChI InChI=1S/C53H68N8O12/c1-30(62)45(51(69)61-24-8-12-43(61)50(68)57-41(11-6-7-23-54)48(66)60-46(31(2)63)53(72)73)59-49(67)42(29-35-17-22-44(64)38(26-35)25-32-9-4-3-5-10-32)58-47(65)39(55)27-33-13-18-36(19-14-33)37-20-15-34(16-21-37)28-40(56)52(70)71/h3-5,9-10,13-22,26,30-31,39-43,45-46,62-64H,6-8,11-12,23-25,27-29,54-56H2,1-2H3,(H,57,68)(H,58,65)(H,59,67)(H,60,66)(H,70,71)(H,72,73)/t30-,31-,39+,40+,41+,42+,43+,45+,46+/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1.00E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of rat DAT-mediated [3H]dopamine uptake in CHO cells

J Med Chem 49: 4048-51 (2006)


Article DOI: 10.1021/jm0601654
BindingDB Entry DOI: 10.7270/Q2FJ2HM6
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50190389
PNG
(CHEMBL277108 | bip-tyr-ala-pro-lys-thr(obzl)-gly)
Show SMILES C[C@@H](OCc1ccccc1)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)Cc1ccc(cc1)-c1ccc(C[C@H](N)C(O)=O)cc1)C(=O)NCC(O)=O
Show InChI InChI=1S/C54H69N9O12/c1-32(53(72)63-26-8-12-45(63)51(70)60-43(11-6-7-25-55)49(68)62-47(52(71)58-30-46(65)66)33(2)75-31-37-9-4-3-5-10-37)59-50(69)44(29-36-17-23-40(64)24-18-36)61-48(67)41(56)27-34-13-19-38(20-14-34)39-21-15-35(16-22-39)28-42(57)54(73)74/h3-5,9-10,13-24,32-33,41-45,47,64H,6-8,11-12,25-31,55-57H2,1-2H3,(H,58,71)(H,59,69)(H,60,70)(H,61,67)(H,62,68)(H,65,66)(H,73,74)/t32-,33+,41-,42-,43-,44-,45-,47-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1.10E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of rat DAT-mediated [3H]dopamine uptake in CHO cells

J Med Chem 49: 4048-51 (2006)


Article DOI: 10.1021/jm0601654
BindingDB Entry DOI: 10.7270/Q2FJ2HM6
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50190382
PNG
(CHEMBL379496 | bip-tyr-thr-pro-lys-thr)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)Cc1ccc(cc1)-c1ccc(C[C@H](N)C(O)=O)cc1)[C@@H](C)O)C(O)=O
Show InChI InChI=1S/C46H62N8O12/c1-25(55)38(44(62)54-21-5-7-37(54)43(61)50-35(6-3-4-20-47)41(59)53-39(26(2)56)46(65)66)52-42(60)36(24-29-12-18-32(57)19-13-29)51-40(58)33(48)22-27-8-14-30(15-9-27)31-16-10-28(11-17-31)23-34(49)45(63)64/h8-19,25-26,33-39,55-57H,3-7,20-24,47-49H2,1-2H3,(H,50,61)(H,51,58)(H,52,60)(H,53,59)(H,63,64)(H,65,66)/t25-,26-,33+,34+,35+,36+,37+,38+,39+/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1.90E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of rat DAT-mediated [3H]dopamine uptake in CHO cells

J Med Chem 49: 4048-51 (2006)


Article DOI: 10.1021/jm0601654
BindingDB Entry DOI: 10.7270/Q2FJ2HM6
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50190375
PNG
(CHEMBL269579 | bip-tyr-thr(obzl)-pro-lys-thr-gly)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)Cc1ccc(cc1)-c1ccc(C[C@H](N)C(O)=O)cc1)[C@@H](C)OCc1ccccc1)C(=O)NCC(O)=O
Show InChI InChI=1S/C55H71N9O13/c1-32(65)47(53(73)59-30-46(67)68)62-50(70)43(11-6-7-25-56)60-52(72)45-12-8-26-64(45)54(74)48(33(2)77-31-37-9-4-3-5-10-37)63-51(71)44(29-36-17-23-40(66)24-18-36)61-49(69)41(57)27-34-13-19-38(20-14-34)39-21-15-35(16-22-39)28-42(58)55(75)76/h3-5,9-10,13-24,32-33,41-45,47-48,65-66H,6-8,11-12,25-31,56-58H2,1-2H3,(H,59,73)(H,60,72)(H,61,69)(H,62,70)(H,63,71)(H,67,68)(H,75,76)/t32-,33-,41+,42+,43+,44+,45+,47+,48+/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 2.00E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of rat DAT-mediated [3H]dopamine uptake in CHO cells

J Med Chem 49: 4048-51 (2006)


Article DOI: 10.1021/jm0601654
BindingDB Entry DOI: 10.7270/Q2FJ2HM6
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))		BDBM50190379
PNG
(CHEMBL439332 | bip-tyr-thr-ala-pro-phe)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)Cc1ccc(cc1)-c1ccc(C[C@H](N)C(O)=O)cc1)C(=O)N1CCCC1C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C45H52N6O10/c1-26(52)39(43(57)51-21-5-8-38(51)42(56)49-37(45(60)61)25-27-6-3-2-4-7-27)50-41(55)36(24-30-13-19-33(53)20-14-30)48-40(54)34(46)22-28-9-15-31(16-10-28)32-17-11-29(12-18-32)23-35(47)44(58)59/h2-4,6-7,9-20,26,34-39,52-53H,5,8,21-25,46-47H2,1H3,(H,48,54)(H,49,56)(H,50,55)(H,58,59)(H,60,61)/t26-,34+,35+,36+,37+,38?,39+/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 2.50E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of rat NET-mediated norepinephrine uptake in CHO cells

J Med Chem 49: 4048-51 (2006)


Article DOI: 10.1021/jm0601654
BindingDB Entry DOI: 10.7270/Q2FJ2HM6
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50190379
PNG
(CHEMBL439332 | bip-tyr-thr-ala-pro-phe)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)Cc1ccc(cc1)-c1ccc(C[C@H](N)C(O)=O)cc1)C(=O)N1CCCC1C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C45H52N6O10/c1-26(52)39(43(57)51-21-5-8-38(51)42(56)49-37(45(60)61)25-27-6-3-2-4-7-27)50-41(55)36(24-30-13-19-33(53)20-14-30)48-40(54)34(46)22-28-9-15-31(16-10-28)32-17-11-29(12-18-32)23-35(47)44(58)59/h2-4,6-7,9-20,26,34-39,52-53H,5,8,21-25,46-47H2,1H3,(H,48,54)(H,49,56)(H,50,55)(H,58,59)(H,60,61)/t26-,34+,35+,36+,37+,38?,39+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 3.20E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of rat SERT-mediated serotonin uptake in CHO cells

J Med Chem 49: 4048-51 (2006)


Article DOI: 10.1021/jm0601654
BindingDB Entry DOI: 10.7270/Q2FJ2HM6
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))		BDBM50190380
PNG
(CHEMBL374492 | bip-tyr-thr-pro-thr(obzl)-gly)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)C(C)c1ccc(cc1)-c1ccc(C[C@H](N)C(O)=O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)OCc1ccccc1)C(=O)NCC(O)=O
Show InChI InChI=1S/C50H61N7O12/c1-28(34-17-19-36(20-18-34)35-15-11-31(12-16-35)24-38(51)50(67)68)42(52)47(64)54-39(25-32-13-21-37(59)22-14-32)45(62)55-43(29(2)58)49(66)57-23-7-10-40(57)46(63)56-44(48(65)53-26-41(60)61)30(3)69-27-33-8-5-4-6-9-33/h4-6,8-9,11-22,28-30,38-40,42-44,58-59H,7,10,23-27,51-52H2,1-3H3,(H,53,65)(H,54,64)(H,55,62)(H,56,63)(H,60,61)(H,67,68)/t28?,29-,30-,38+,39+,40+,42+,43+,44+/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 9.00E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of rat NET-mediated norepinephrine uptake in CHO cells

J Med Chem 49: 4048-51 (2006)


Article DOI: 10.1021/jm0601654
BindingDB Entry DOI: 10.7270/Q2FJ2HM6
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50190380
PNG
(CHEMBL374492 | bip-tyr-thr-pro-thr(obzl)-gly)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)C(C)c1ccc(cc1)-c1ccc(C[C@H](N)C(O)=O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)OCc1ccccc1)C(=O)NCC(O)=O
Show InChI InChI=1S/C50H61N7O12/c1-28(34-17-19-36(20-18-34)35-15-11-31(12-16-35)24-38(51)50(67)68)42(52)47(64)54-39(25-32-13-21-37(59)22-14-32)45(62)55-43(29(2)58)49(66)57-23-7-10-40(57)46(63)56-44(48(65)53-26-41(60)61)30(3)69-27-33-8-5-4-6-9-33/h4-6,8-9,11-22,28-30,38-40,42-44,58-59H,7,10,23-27,51-52H2,1-3H3,(H,53,65)(H,54,64)(H,55,62)(H,56,63)(H,60,61)(H,67,68)/t28?,29-,30-,38+,39+,40+,42+,43+,44+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1.10E+5n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of rat SERT-mediated serotonin uptake in CHO cells

J Med Chem 49: 4048-51 (2006)


Article DOI: 10.1021/jm0601654
BindingDB Entry DOI: 10.7270/Q2FJ2HM6
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50190376
PNG
(CHEMBL383931 | bip-ala-thr-pro-lys-thr(obzl)-gly)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(cc1)-c1ccc(C[C@H](N)C(O)=O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)OCc1ccccc1)C(=O)NCC(O)=O
Show InChI InChI=1S/C49H67N9O12/c1-28(54-44(63)36(51)24-31-14-18-34(19-15-31)35-20-16-32(17-21-35)25-37(52)49(68)69)43(62)56-41(29(2)59)48(67)58-23-9-13-39(58)46(65)55-38(12-7-8-22-50)45(64)57-42(47(66)53-26-40(60)61)30(3)70-27-33-10-5-4-6-11-33/h4-6,10-11,14-21,28-30,36-39,41-42,59H,7-9,12-13,22-27,50-52H2,1-3H3,(H,53,66)(H,54,63)(H,55,65)(H,56,62)(H,57,64)(H,60,61)(H,68,69)/t28-,29+,30+,36-,37-,38-,39-,41-,42-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1.73E+5n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of rat DAT-mediated [3H]dopamine uptake in CHO cells

J Med Chem 49: 4048-51 (2006)


Article DOI: 10.1021/jm0601654
BindingDB Entry DOI: 10.7270/Q2FJ2HM6
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50190383
PNG
(CHEMBL411570 | nal2-tyr-thr-pro-lys-thr(obzl)-gly)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)Cc1ccc2ccccc2c1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)OCc1ccccc1)C(=O)NCC(O)=O
Show InChI InChI=1S/C50H64N8O11/c1-30(59)43(56-47(65)40(27-32-18-21-37(60)22-19-32)55-45(63)38(52)26-34-17-20-35-13-6-7-14-36(35)25-34)50(68)58-24-10-16-41(58)48(66)54-39(15-8-9-23-51)46(64)57-44(49(67)53-28-42(61)62)31(2)69-29-33-11-4-3-5-12-33/h3-7,11-14,17-22,25,30-31,38-41,43-44,59-60H,8-10,15-16,23-24,26-29,51-52H2,1-2H3,(H,53,67)(H,54,66)(H,55,63)(H,56,65)(H,57,64)(H,61,62)/t30-,31-,38+,39+,40+,41+,43+,44+/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1.84E+5n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of rat DAT-mediated [3H]dopamine uptake in CHO cells

J Med Chem 49: 4048-51 (2006)


Article DOI: 10.1021/jm0601654
BindingDB Entry DOI: 10.7270/Q2FJ2HM6
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50190384
PNG
(CHEMBL218952 | nal1-tyr-thr-pro-lys-thr(obzl)-gly)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)Cc1cccc2ccccc12)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)OCc1ccccc1)C(=O)NCC(O)=O
Show InChI InChI=1S/C50H64N8O11/c1-30(59)43(56-47(65)40(26-32-20-22-36(60)23-21-32)55-45(63)38(52)27-35-16-10-15-34-14-6-7-17-37(34)35)50(68)58-25-11-19-41(58)48(66)54-39(18-8-9-24-51)46(64)57-44(49(67)53-28-42(61)62)31(2)69-29-33-12-4-3-5-13-33/h3-7,10,12-17,20-23,30-31,38-41,43-44,59-60H,8-9,11,18-19,24-29,51-52H2,1-2H3,(H,53,67)(H,54,66)(H,55,63)(H,56,65)(H,57,64)(H,61,62)/t30-,31-,38+,39+,40+,41+,43+,44+/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1.99E+5n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of rat DAT-mediated [3H]dopamine uptake in CHO cells

J Med Chem 49: 4048-51 (2006)


Article DOI: 10.1021/jm0601654
BindingDB Entry DOI: 10.7270/Q2FJ2HM6
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50190386
PNG
(CHEMBL409615 | bpa-tyr-thr-pro-lys-thr(obzl)-gly)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)Cc1ccc(cc1)C(=O)c1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)OCc1ccccc1)C(=O)NCC(O)=O
Show InChI InChI=1S/C53H66N8O12/c1-32(62)45(59-50(69)42(29-35-20-24-39(63)25-21-35)58-48(67)40(55)28-34-18-22-38(23-19-34)47(66)37-14-7-4-8-15-37)53(72)61-27-11-17-43(61)51(70)57-41(16-9-10-26-54)49(68)60-46(52(71)56-30-44(64)65)33(2)73-31-36-12-5-3-6-13-36/h3-8,12-15,18-25,32-33,40-43,45-46,62-63H,9-11,16-17,26-31,54-55H2,1-2H3,(H,56,71)(H,57,70)(H,58,67)(H,59,69)(H,60,68)(H,64,65)/t32-,33-,40+,41+,42+,43+,45+,46+/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 2.39E+5n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of rat DAT-mediated [3H]dopamine uptake in CHO cells

J Med Chem 49: 4048-51 (2006)


Article DOI: 10.1021/jm0601654
BindingDB Entry DOI: 10.7270/Q2FJ2HM6
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50190382
PNG
(CHEMBL379496 | bip-tyr-thr-pro-lys-thr)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)Cc1ccc(cc1)-c1ccc(C[C@H](N)C(O)=O)cc1)[C@@H](C)O)C(O)=O
Show InChI InChI=1S/C46H62N8O12/c1-25(55)38(44(62)54-21-5-7-37(54)43(61)50-35(6-3-4-20-47)41(59)53-39(26(2)56)46(65)66)52-42(60)36(24-29-12-18-32(57)19-13-29)51-40(58)33(48)22-27-8-14-30(15-9-27)31-16-10-28(11-17-31)23-34(49)45(63)64/h8-19,25-26,33-39,55-57H,3-7,20-24,47-49H2,1-2H3,(H,50,61)(H,51,58)(H,52,60)(H,53,59)(H,63,64)(H,65,66)/t25-,26-,33+,34+,35+,36+,37+,38+,39+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a>1.00E+6n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of rat SERT-mediated serotonin uptake in CHO cells

J Med Chem 49: 4048-51 (2006)


Article DOI: 10.1021/jm0601654
BindingDB Entry DOI: 10.7270/Q2FJ2HM6
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50190381
PNG
(CHEMBL209752 | bip-tyr-thr-ala-thr(obzl)-gly)
Show SMILES CC(O)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)Cc1ccc(cc1)-c1ccc(C[C@H](N)C(O)=O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)OCc1ccccc1)C(=O)NCC(O)=O
Show InChI InChI=1S/C47H57N7O12/c1-26(42(59)54-41(45(62)50-24-39(57)58)28(3)66-25-32-7-5-4-6-8-32)51-46(63)40(27(2)55)53-44(61)38(23-31-13-19-35(56)20-14-31)52-43(60)36(48)21-29-9-15-33(16-10-29)34-17-11-30(12-18-34)22-37(49)47(64)65/h4-20,26-28,36-38,40-41,55-56H,21-25,48-49H2,1-3H3,(H,50,62)(H,51,63)(H,52,60)(H,53,61)(H,54,59)(H,57,58)(H,64,65)/t26-,27?,28?,36-,37-,38-,40-,41-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a>1.00E+6n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of rat DAT-mediated [3H]dopamine uptake in CHO cells

J Med Chem 49: 4048-51 (2006)


Article DOI: 10.1021/jm0601654
BindingDB Entry DOI: 10.7270/Q2FJ2HM6
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50190377
PNG
(CHEMBL212513 | phe-phe-tyr-thr-pro-lys-thr)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(O)=O
Show InChI InChI=1S/C46H62N8O11/c1-27(55)38(45(63)54-23-11-17-37(54)44(62)49-34(16-9-10-22-47)41(59)53-39(28(2)56)46(64)65)52-43(61)36(26-31-18-20-32(57)21-19-31)51-42(60)35(25-30-14-7-4-8-15-30)50-40(58)33(48)24-29-12-5-3-6-13-29/h3-8,12-15,18-21,27-28,33-39,55-57H,9-11,16-17,22-26,47-48H2,1-2H3,(H,49,62)(H,50,58)(H,51,60)(H,52,61)(H,53,59)(H,64,65)/t27-,28-,33+,34+,35+,36+,37+,38+,39+/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a>1.00E+6n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of rat DAT-mediated [3H]dopamine uptake in CHO cells

J Med Chem 49: 4048-51 (2006)


Article DOI: 10.1021/jm0601654
BindingDB Entry DOI: 10.7270/Q2FJ2HM6
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))		BDBM50190382
PNG
(CHEMBL379496 | bip-tyr-thr-pro-lys-thr)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)Cc1ccc(cc1)-c1ccc(C[C@H](N)C(O)=O)cc1)[C@@H](C)O)C(O)=O
Show InChI InChI=1S/C46H62N8O12/c1-25(55)38(44(62)54-21-5-7-37(54)43(61)50-35(6-3-4-20-47)41(59)53-39(26(2)56)46(65)66)52-42(60)36(24-29-12-18-32(57)19-13-29)51-40(58)33(48)22-27-8-14-30(15-9-27)31-16-10-28(11-17-31)23-34(49)45(63)64/h8-19,25-26,33-39,55-57H,3-7,20-24,47-49H2,1-2H3,(H,50,61)(H,51,58)(H,52,60)(H,53,59)(H,63,64)(H,65,66)/t25-,26-,33+,34+,35+,36+,37+,38+,39+/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a>1.00E+6n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of rat NET-mediated norepinephrine uptake in CHO cells

J Med Chem 49: 4048-51 (2006)


Article DOI: 10.1021/jm0601654
BindingDB Entry DOI: 10.7270/Q2FJ2HM6
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1


(Mus musculus)		BDBM50190382
PNG
(CHEMBL379496 | bip-tyr-thr-pro-lys-thr)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)Cc1ccc(cc1)-c1ccc(C[C@H](N)C(O)=O)cc1)[C@@H](C)O)C(O)=O
Show InChI InChI=1S/C46H62N8O12/c1-25(55)38(44(62)54-21-5-7-37(54)43(61)50-35(6-3-4-20-47)41(59)53-39(26(2)56)46(65)66)52-42(60)36(24-29-12-18-32(57)19-13-29)51-40(58)33(48)22-27-8-14-30(15-9-27)31-16-10-28(11-17-31)23-34(49)45(63)64/h8-19,25-26,33-39,55-57H,3-7,20-24,47-49H2,1-2H3,(H,50,61)(H,51,58)(H,52,60)(H,53,59)(H,63,64)(H,65,66)/t25-,26-,33+,34+,35+,36+,37+,38+,39+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a>1.00E+6n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of mouse GAT1-mediated gamma-aminobutyric acid uptake in CHO cells

J Med Chem 49: 4048-51 (2006)


Article DOI: 10.1021/jm0601654
BindingDB Entry DOI: 10.7270/Q2FJ2HM6
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50190378
PNG
(CHEMBL219062 | bip-tyr-thr-ala-lys-thr(obzl)-gly)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)Cc1ccc(cc1)-c1ccc(C[C@H](N)C(O)=O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)OCc1ccccc1)C(=O)NCC(O)=O
Show InChI InChI=1S/C53H69N9O13/c1-30(47(67)59-42(11-7-8-24-54)49(69)62-46(51(71)57-28-44(65)66)32(3)75-29-36-9-5-4-6-10-36)58-52(72)45(31(2)63)61-50(70)43(27-35-16-22-39(64)23-17-35)60-48(68)40(55)25-33-12-18-37(19-13-33)38-20-14-34(15-21-38)26-41(56)53(73)74/h4-6,9-10,12-23,30-32,40-43,45-46,63-64H,7-8,11,24-29,54-56H2,1-3H3,(H,57,71)(H,58,72)(H,59,67)(H,60,68)(H,61,70)(H,62,69)(H,65,66)(H,73,74)/t30-,31+,32+,40-,41-,42-,43-,45-,46-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a>1.00E+6n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of rat DAT-mediated [3H]dopamine uptake in CHO cells

J Med Chem 49: 4048-51 (2006)


Article DOI: 10.1021/jm0601654
BindingDB Entry DOI: 10.7270/Q2FJ2HM6
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1


(Mus musculus)		BDBM50190379
PNG
(CHEMBL439332 | bip-tyr-thr-ala-pro-phe)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)Cc1ccc(cc1)-c1ccc(C[C@H](N)C(O)=O)cc1)C(=O)N1CCCC1C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C45H52N6O10/c1-26(52)39(43(57)51-21-5-8-38(51)42(56)49-37(45(60)61)25-27-6-3-2-4-7-27)50-41(55)36(24-30-13-19-33(53)20-14-30)48-40(54)34(46)22-28-9-15-31(16-10-28)32-17-11-29(12-18-32)23-35(47)44(58)59/h2-4,6-7,9-20,26,34-39,52-53H,5,8,21-25,46-47H2,1H3,(H,48,54)(H,49,56)(H,50,55)(H,58,59)(H,60,61)/t26-,34+,35+,36+,37+,38?,39+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a>1.00E+6n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of mouse GAT1-mediated gamma-aminobutyric acid uptake in CHO cells

J Med Chem 49: 4048-51 (2006)


Article DOI: 10.1021/jm0601654
BindingDB Entry DOI: 10.7270/Q2FJ2HM6
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1


(Mus musculus)		BDBM50190380
PNG
(CHEMBL374492 | bip-tyr-thr-pro-thr(obzl)-gly)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)C(C)c1ccc(cc1)-c1ccc(C[C@H](N)C(O)=O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)OCc1ccccc1)C(=O)NCC(O)=O
Show InChI InChI=1S/C50H61N7O12/c1-28(34-17-19-36(20-18-34)35-15-11-31(12-16-35)24-38(51)50(67)68)42(52)47(64)54-39(25-32-13-21-37(59)22-14-32)45(62)55-43(29(2)58)49(66)57-23-7-10-40(57)46(63)56-44(48(65)53-26-41(60)61)30(3)69-27-33-8-5-4-6-9-33/h4-6,8-9,11-22,28-30,38-40,42-44,58-59H,7,10,23-27,51-52H2,1-3H3,(H,53,65)(H,54,64)(H,55,62)(H,56,63)(H,60,61)(H,67,68)/t28?,29-,30-,38+,39+,40+,42+,43+,44+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a>1.00E+6n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of mouse GAT1-mediated gamma-aminobutyric acid uptake in CHO cells

J Med Chem 49: 4048-51 (2006)


Article DOI: 10.1021/jm0601654
BindingDB Entry DOI: 10.7270/Q2FJ2HM6
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%