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28 similar compounds to monomer 50293304

Compile data set for download or QSAR
Wt: 594.6
BDBM41947
Purchase
Wt: 576.6
BDBM79337
Wt: 609.7
BDBM81458
Wt: 624.7
BDBM81888
Wt: 610.7
BDBM86242
Wt: 580.6
BDBM85441
Wt: 608.7
BDBM85442
Wt: 608.7
BDBM85443
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Wt: 622.7
BDBM85444
Purchase
Wt: 622.7
BDBM85446
Purchase
Wt: 610.7
BDBM50000690
Purchase
Wt: 609.7
BDBM50170594
Wt: 608.7
BDBM50241641
Wt: 622.7
BDBM50241642
Wt: 608.7
BDBM50241651
Purchase
Displayed 1 to 15 (of 28 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 55 hits for monomerid = 41947,79337,81458,81888,86242,85441,85442,85443,85444,85446,50000690,50170594,50241641,50241642,50241651   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
5-HT3A Serotonin Receptor


(Mus musculus (house mouse))
BDBM50000690
PNG
(10,25-dimethoxy-15,15,30-trimethyl-(1S,16R)-7,23-d...)
Show SMILES COc1cc2CC[N+](C)(C)[C@@H]3Cc4ccc(O)c(Oc5cc6[C@H](Cc7ccc(Oc(c1O)c23)cc7)[NH+](C)CCc6cc5OC)c4
Show InChI InChI=1S/C37H40N2O6/c1-38-14-12-24-19-32(42-4)33-21-27(24)28(38)16-22-6-9-26(10-7-22)44-37-35-25(20-34(43-5)36(37)41)13-15-39(2,3)29(35)17-23-8-11-30(40)31(18-23)45-33/h6-11,18-21,28-29H,12-17H2,1-5H3,(H-,40,41)/p+2/t28-,29+/m0/s1
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8.70n/an/an/an/an/an/an/an/a



University of Alberta

Curated by PDSP Ki Database




Neuropharmacology 33: 275-317 (1994)


Article DOI: 10.1016/0028-3908(94)90059-0
BindingDB Entry DOI: 10.7270/Q2M043X2
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM81458
PNG
(CAS_57-94-3 | NSC_6000 | d-Tubocurarine)
Show SMILES COc1cc2CC[N+](C)(C)C3Cc4ccc(O)c(Oc5cc6C(Cc7ccc(Oc(c1O)c23)cc7)N(C)CCc6cc5OC)c4
Show InChI InChI=1S/C37H40N2O6/c1-38-14-12-24-19-32(42-4)33-21-27(24)28(38)16-22-6-9-26(10-7-22)44-37-35-25(20-34(43-5)36(37)41)13-15-39(2,3)29(35)17-23-8-11-30(40)31(18-23)45-33/h6-11,18-21,28-29H,12-17H2,1-5H3,(H-,40,41)/p+1
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97n/an/an/an/an/an/an/an/a



University of Arizona

Curated by PDSP Ki Database




J Pharmacol Exp Ther 284: 500-7 (1998)


Article DOI: 10.1021/acschembio.5b00655
BindingDB Entry DOI: 10.7270/Q2HX1B6S
More data for this
Ligand-Target Pair
n-AChR


(RAT)
BDBM50000690
PNG
(10,25-dimethoxy-15,15,30-trimethyl-(1S,16R)-7,23-d...)
Show SMILES COc1cc2CC[N+](C)(C)[C@@H]3Cc4ccc(O)c(Oc5cc6[C@H](Cc7ccc(Oc(c1O)c23)cc7)[NH+](C)CCc6cc5OC)c4
Show InChI InChI=1S/C37H40N2O6/c1-38-14-12-24-19-32(42-4)33-21-27(24)28(38)16-22-6-9-26(10-7-22)44-37-35-25(20-34(43-5)36(37)41)13-15-39(2,3)29(35)17-23-8-11-30(40)31(18-23)45-33/h6-11,18-21,28-29H,12-17H2,1-5H3,(H-,40,41)/p+2/t28-,29+/m0/s1
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282n/an/an/an/an/an/an/an/a



University of California

Curated by PDSP Ki Database




J Pharmacol Exp Ther 270: 159-66 (1994)


BindingDB Entry DOI: 10.7270/Q22Z141C
More data for this
Ligand-Target Pair
Cholinergic, Nicotinic Alpha3Beta2


(Homo sapiens (Human))
BDBM81458
PNG
(CAS_57-94-3 | NSC_6000 | d-Tubocurarine)
Show SMILES COc1cc2CC[N+](C)(C)C3Cc4ccc(O)c(Oc5cc6C(Cc7ccc(Oc(c1O)c23)cc7)N(C)CCc6cc5OC)c4
Show InChI InChI=1S/C37H40N2O6/c1-38-14-12-24-19-32(42-4)33-21-27(24)28(38)16-22-6-9-26(10-7-22)44-37-35-25(20-34(43-5)36(37)41)13-15-39(2,3)29(35)17-23-8-11-30(40)31(18-23)45-33/h6-11,18-21,28-29H,12-17H2,1-5H3,(H-,40,41)/p+1
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730n/an/an/an/an/an/an/an/a



SIBIA Neurosciences, Inc.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 284: 777-89 (1998)


Article DOI: 10.1111/cbdd.12530
BindingDB Entry DOI: 10.7270/Q28G8J7Q
More data for this
Ligand-Target Pair
n-AChR


(RAT)
BDBM81888
PNG
(CAS_8063-06-7 | Curare | NSC_411885)
Show SMILES COc1cc2CC[N+](C)(C)C3Cc4ccc(O)c(Oc5cc6C(Cc7ccc(Oc(c1O)c23)cc7)[N+](C)(C)CCc6cc5OC)c4
Show InChI InChI=1S/C38H42N2O6/c1-39(2)15-13-25-20-33(43-5)34-22-28(25)29(39)17-23-7-10-27(11-8-23)45-38-36-26(21-35(44-6)37(38)42)14-16-40(3,4)30(36)18-24-9-12-31(41)32(19-24)46-34/h7-12,19-22,29-30H,13-18H2,1-6H3/p+2
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730n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by PDSP Ki Database




Mol Pharmacol 57: 642-9 (2000)


Article DOI: 10.1124/mol.57.3.642
BindingDB Entry DOI: 10.7270/Q21C1VF8
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4


(Homo sapiens (Human))
BDBM81458
PNG
(CAS_57-94-3 | NSC_6000 | d-Tubocurarine)
Show SMILES COc1cc2CC[N+](C)(C)C3Cc4ccc(O)c(Oc5cc6C(Cc7ccc(Oc(c1O)c23)cc7)N(C)CCc6cc5OC)c4
Show InChI InChI=1S/C37H40N2O6/c1-38-14-12-24-19-32(42-4)33-21-27(24)28(38)16-22-6-9-26(10-7-22)44-37-35-25(20-34(43-5)36(37)41)13-15-39(2,3)29(35)17-23-8-11-30(40)31(18-23)45-33/h6-11,18-21,28-29H,12-17H2,1-5H3,(H-,40,41)/p+1
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860n/an/an/an/an/an/an/an/a



SIBIA Neurosciences, Inc.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 284: 777-89 (1998)


Article DOI: 10.1111/cbdd.12530
BindingDB Entry DOI: 10.7270/Q28G8J7Q
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4


(Homo sapiens (Human))
BDBM81458
PNG
(CAS_57-94-3 | NSC_6000 | d-Tubocurarine)
Show SMILES COc1cc2CC[N+](C)(C)C3Cc4ccc(O)c(Oc5cc6C(Cc7ccc(Oc(c1O)c23)cc7)N(C)CCc6cc5OC)c4
Show InChI InChI=1S/C37H40N2O6/c1-38-14-12-24-19-32(42-4)33-21-27(24)28(38)16-22-6-9-26(10-7-22)44-37-35-25(20-34(43-5)36(37)41)13-15-39(2,3)29(35)17-23-8-11-30(40)31(18-23)45-33/h6-11,18-21,28-29H,12-17H2,1-5H3,(H-,40,41)/p+1
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1.00E+3n/an/an/an/an/an/an/an/a



University of Bath

Curated by PDSP Ki Database




Mol Pharmacol 53: 950-62 (1998)


BindingDB Entry DOI: 10.7270/Q2B856PT
More data for this
Ligand-Target Pair
n-AChR


(RAT)
BDBM50000690
PNG
(10,25-dimethoxy-15,15,30-trimethyl-(1S,16R)-7,23-d...)
Show SMILES COc1cc2CC[N+](C)(C)[C@@H]3Cc4ccc(O)c(Oc5cc6[C@H](Cc7ccc(Oc(c1O)c23)cc7)[NH+](C)CCc6cc5OC)c4
Show InChI InChI=1S/C37H40N2O6/c1-38-14-12-24-19-32(42-4)33-21-27(24)28(38)16-22-6-9-26(10-7-22)44-37-35-25(20-34(43-5)36(37)41)13-15-39(2,3)29(35)17-23-8-11-30(40)31(18-23)45-33/h6-11,18-21,28-29H,12-17H2,1-5H3,(H-,40,41)/p+2/t28-,29+/m0/s1
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1.00E+3n/an/an/an/an/an/an/an/a



University of California

Curated by PDSP Ki Database




J Pharmacol Exp Ther 270: 159-66 (1994)


BindingDB Entry DOI: 10.7270/Q22Z141C
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4


(Homo sapiens (Human))
BDBM81458
PNG
(CAS_57-94-3 | NSC_6000 | d-Tubocurarine)
Show SMILES COc1cc2CC[N+](C)(C)C3Cc4ccc(O)c(Oc5cc6C(Cc7ccc(Oc(c1O)c23)cc7)N(C)CCc6cc5OC)c4
Show InChI InChI=1S/C37H40N2O6/c1-38-14-12-24-19-32(42-4)33-21-27(24)28(38)16-22-6-9-26(10-7-22)44-37-35-25(20-34(43-5)36(37)41)13-15-39(2,3)29(35)17-23-8-11-30(40)31(18-23)45-33/h6-11,18-21,28-29H,12-17H2,1-5H3,(H-,40,41)/p+1
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2.00E+3n/an/an/an/an/an/an/an/a



Barrow Neurological Institute

Curated by PDSP Ki Database




Mol Pharmacol 64: 1283-94 (2003)


Article DOI: 10.1124/mol.64.6.1283
BindingDB Entry DOI: 10.7270/Q2GF0S2V
More data for this
Ligand-Target Pair
n-AChR


(RAT)
BDBM81888
PNG
(CAS_8063-06-7 | Curare | NSC_411885)
Show SMILES COc1cc2CC[N+](C)(C)C3Cc4ccc(O)c(Oc5cc6C(Cc7ccc(Oc(c1O)c23)cc7)[N+](C)(C)CCc6cc5OC)c4
Show InChI InChI=1S/C38H42N2O6/c1-39(2)15-13-25-20-33(43-5)34-22-28(25)29(39)17-23-7-10-27(11-8-23)45-38-36-26(21-35(44-6)37(38)42)14-16-40(3,4)30(36)18-24-9-12-31(41)32(19-24)46-34/h7-12,19-22,29-30H,13-18H2,1-6H3/p+2
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2.03E+3n/an/an/an/an/an/an/an/a



Georgetown University

Curated by PDSP Ki Database




Mol Pharmacol 48: 280-7 (1995)


BindingDB Entry DOI: 10.7270/Q2280648
More data for this
Ligand-Target Pair
n-AChR


(RAT)
BDBM81458
PNG
(CAS_57-94-3 | NSC_6000 | d-Tubocurarine)
Show SMILES COc1cc2CC[N+](C)(C)C3Cc4ccc(O)c(Oc5cc6C(Cc7ccc(Oc(c1O)c23)cc7)N(C)CCc6cc5OC)c4
Show InChI InChI=1S/C37H40N2O6/c1-38-14-12-24-19-32(42-4)33-21-27(24)28(38)16-22-6-9-26(10-7-22)44-37-35-25(20-34(43-5)36(37)41)13-15-39(2,3)29(35)17-23-8-11-30(40)31(18-23)45-33/h6-11,18-21,28-29H,12-17H2,1-5H3,(H-,40,41)/p+1
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2.24E+3n/an/an/an/an/an/an/an/a



Georgetown University

Curated by PDSP Ki Database




Mol Pharmacol 54: 322-33 (1998)


Article DOI: 10.1124/mol.54.2.322
BindingDB Entry DOI: 10.7270/Q2ZW1JGJ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor; alpha2/beta2


(Homo sapiens (Human))
BDBM81458
PNG
(CAS_57-94-3 | NSC_6000 | d-Tubocurarine)
Show SMILES COc1cc2CC[N+](C)(C)C3Cc4ccc(O)c(Oc5cc6C(Cc7ccc(Oc(c1O)c23)cc7)N(C)CCc6cc5OC)c4
Show InChI InChI=1S/C37H40N2O6/c1-38-14-12-24-19-32(42-4)33-21-27(24)28(38)16-22-6-9-26(10-7-22)44-37-35-25(20-34(43-5)36(37)41)13-15-39(2,3)29(35)17-23-8-11-30(40)31(18-23)45-33/h6-11,18-21,28-29H,12-17H2,1-5H3,(H-,40,41)/p+1
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2.26E+3n/an/an/an/an/an/an/an/a



SIBIA Neurosciences, Inc.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 284: 777-89 (1998)


Article DOI: 10.1111/cbdd.12530
BindingDB Entry DOI: 10.7270/Q28G8J7Q
More data for this
Ligand-Target Pair
Cholinergic, Nicotinic Alpha6Beta2


(Chick)
BDBM86242
PNG
(CAS_64645 | NSC_64645 | Tubocurarine,d)
Show SMILES COc1cc2CC[N+](C)(C)C3Cc4ccc(O)c(Oc5cc6C(Cc7ccc(Oc(c1O)c23)cc7)[NH+](C)CCc6cc5OC)c4
Show InChI InChI=1S/C37H40N2O6/c1-38-14-12-24-19-32(42-4)33-21-27(24)28(38)16-22-6-9-26(10-7-22)44-37-35-25(20-34(43-5)36(37)41)13-15-39(2,3)29(35)17-23-8-11-30(40)31(18-23)45-33/h6-11,18-21,28-29H,12-17H2,1-5H3,(H-,40,41)/p+2
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3.09E+3n/an/an/an/an/an/an/an/a



University of Milan

Curated by PDSP Ki Database




Mol Pharmacol 63: 1329-37 (2003)


Article DOI: 10.1124/mol.63.6.1329
BindingDB Entry DOI: 10.7270/Q29W0D27
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4


(Homo sapiens (Human))
BDBM81458
PNG
(CAS_57-94-3 | NSC_6000 | d-Tubocurarine)
Show SMILES COc1cc2CC[N+](C)(C)C3Cc4ccc(O)c(Oc5cc6C(Cc7ccc(Oc(c1O)c23)cc7)N(C)CCc6cc5OC)c4
Show InChI InChI=1S/C37H40N2O6/c1-38-14-12-24-19-32(42-4)33-21-27(24)28(38)16-22-6-9-26(10-7-22)44-37-35-25(20-34(43-5)36(37)41)13-15-39(2,3)29(35)17-23-8-11-30(40)31(18-23)45-33/h6-11,18-21,28-29H,12-17H2,1-5H3,(H-,40,41)/p+1
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3.48E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by PDSP Ki Database




J Pharmacol Exp Ther 276: 289-97 (1996)


BindingDB Entry DOI: 10.7270/Q2GM85T1
More data for this
Ligand-Target Pair
n-AChR


(RAT)
BDBM81888
PNG
(CAS_8063-06-7 | Curare | NSC_411885)
Show SMILES COc1cc2CC[N+](C)(C)C3Cc4ccc(O)c(Oc5cc6C(Cc7ccc(Oc(c1O)c23)cc7)[N+](C)(C)CCc6cc5OC)c4
Show InChI InChI=1S/C38H42N2O6/c1-39(2)15-13-25-20-33(43-5)34-22-28(25)29(39)17-23-7-10-27(11-8-23)45-38-36-26(21-35(44-6)37(38)42)14-16-40(3,4)30(36)18-24-9-12-31(41)32(19-24)46-34/h7-12,19-22,29-30H,13-18H2,1-6H3/p+2
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3.79E+3n/an/an/an/an/an/an/an/a



Georgetown University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 282: 445-51 (1997)


BindingDB Entry DOI: 10.7270/Q2222S97
More data for this
Ligand-Target Pair
n-AChR


(RAT)
BDBM81888
PNG
(CAS_8063-06-7 | Curare | NSC_411885)
Show SMILES COc1cc2CC[N+](C)(C)C3Cc4ccc(O)c(Oc5cc6C(Cc7ccc(Oc(c1O)c23)cc7)[N+](C)(C)CCc6cc5OC)c4
Show InChI InChI=1S/C38H42N2O6/c1-39(2)15-13-25-20-33(43-5)34-22-28(25)29(39)17-23-7-10-27(11-8-23)45-38-36-26(21-35(44-6)37(38)42)14-16-40(3,4)30(36)18-24-9-12-31(41)32(19-24)46-34/h7-12,19-22,29-30H,13-18H2,1-6H3/p+2
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4.50E+3n/an/an/an/an/an/an/an/a



Georgetown University

Curated by PDSP Ki Database




Mol Pharmacol 48: 280-7 (1995)


BindingDB Entry DOI: 10.7270/Q2280648
More data for this
Ligand-Target Pair
Nicotinic Alpha-Bungarotoxin


(Bungarus multicinctus)
BDBM81458
PNG
(CAS_57-94-3 | NSC_6000 | d-Tubocurarine)
Show SMILES COc1cc2CC[N+](C)(C)C3Cc4ccc(O)c(Oc5cc6C(Cc7ccc(Oc(c1O)c23)cc7)N(C)CCc6cc5OC)c4
Show InChI InChI=1S/C37H40N2O6/c1-38-14-12-24-19-32(42-4)33-21-27(24)28(38)16-22-6-9-26(10-7-22)44-37-35-25(20-34(43-5)36(37)41)13-15-39(2,3)29(35)17-23-8-11-30(40)31(18-23)45-33/h6-11,18-21,28-29H,12-17H2,1-5H3,(H-,40,41)/p+1
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5.60E+3n/an/an/an/an/an/an/an/a



McGill University

Curated by PDSP Ki Database




J Neurochem 67: 145-54 (1996)


Article DOI: 10.1046/j.1471-4159.1996.67010145.x
BindingDB Entry DOI: 10.7270/Q2SX6BQW
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50000690
PNG
(10,25-dimethoxy-15,15,30-trimethyl-(1S,16R)-7,23-d...)
Show SMILES COc1cc2CC[N+](C)(C)[C@@H]3Cc4ccc(O)c(Oc5cc6[C@H](Cc7ccc(Oc(c1O)c23)cc7)[NH+](C)CCc6cc5OC)c4
Show InChI InChI=1S/C37H40N2O6/c1-38-14-12-24-19-32(42-4)33-21-27(24)28(38)16-22-6-9-26(10-7-22)44-37-35-25(20-34(43-5)36(37)41)13-15-39(2,3)29(35)17-23-8-11-30(40)31(18-23)45-33/h6-11,18-21,28-29H,12-17H2,1-5H3,(H-,40,41)/p+2/t28-,29+/m0/s1
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6.50E+3n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




Life Sci 19: 69-76 (1976)


Article DOI: 10.1016/0024-3205(76)90375-1
BindingDB Entry DOI: 10.7270/Q23B5XNK
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM81458
PNG
(CAS_57-94-3 | NSC_6000 | d-Tubocurarine)
Show SMILES COc1cc2CC[N+](C)(C)C3Cc4ccc(O)c(Oc5cc6C(Cc7ccc(Oc(c1O)c23)cc7)N(C)CCc6cc5OC)c4
Show InChI InChI=1S/C37H40N2O6/c1-38-14-12-24-19-32(42-4)33-21-27(24)28(38)16-22-6-9-26(10-7-22)44-37-35-25(20-34(43-5)36(37)41)13-15-39(2,3)29(35)17-23-8-11-30(40)31(18-23)45-33/h6-11,18-21,28-29H,12-17H2,1-5H3,(H-,40,41)/p+1
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6.90E+3n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




Mol Pharmacol 13: 454-73 (1977)


BindingDB Entry DOI: 10.7270/Q2TT4PFZ
More data for this
Ligand-Target Pair
Cholinergic, Nicotinic Alpha6Beta4


(Chick)
BDBM86242
PNG
(CAS_64645 | NSC_64645 | Tubocurarine,d)
Show SMILES COc1cc2CC[N+](C)(C)C3Cc4ccc(O)c(Oc5cc6C(Cc7ccc(Oc(c1O)c23)cc7)[NH+](C)CCc6cc5OC)c4
Show InChI InChI=1S/C37H40N2O6/c1-38-14-12-24-19-32(42-4)33-21-27(24)28(38)16-22-6-9-26(10-7-22)44-37-35-25(20-34(43-5)36(37)41)13-15-39(2,3)29(35)17-23-8-11-30(40)31(18-23)45-33/h6-11,18-21,28-29H,12-17H2,1-5H3,(H-,40,41)/p+2
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6.90E+3n/an/an/an/an/an/an/an/a



University of Milan

Curated by PDSP Ki Database




Mol Pharmacol 63: 1329-37 (2003)


Article DOI: 10.1124/mol.63.6.1329
BindingDB Entry DOI: 10.7270/Q29W0D27
More data for this
Ligand-Target Pair
Cholinergic, Nicotinic Alpha6


(Chick)
BDBM86242
PNG
(CAS_64645 | NSC_64645 | Tubocurarine,d)
Show SMILES COc1cc2CC[N+](C)(C)C3Cc4ccc(O)c(Oc5cc6C(Cc7ccc(Oc(c1O)c23)cc7)[NH+](C)CCc6cc5OC)c4
Show InChI InChI=1S/C37H40N2O6/c1-38-14-12-24-19-32(42-4)33-21-27(24)28(38)16-22-6-9-26(10-7-22)44-37-35-25(20-34(43-5)36(37)41)13-15-39(2,3)29(35)17-23-8-11-30(40)31(18-23)45-33/h6-11,18-21,28-29H,12-17H2,1-5H3,(H-,40,41)/p+2
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7.70E+3n/an/an/an/an/an/an/an/a



University of Milan

Curated by PDSP Ki Database




Mol Pharmacol 63: 1329-37 (2003)


Article DOI: 10.1124/mol.63.6.1329
BindingDB Entry DOI: 10.7270/Q29W0D27
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3


(Rattus norvegicus (Rat))
BDBM81458
PNG
(CAS_57-94-3 | NSC_6000 | d-Tubocurarine)
Show SMILES COc1cc2CC[N+](C)(C)C3Cc4ccc(O)c(Oc5cc6C(Cc7ccc(Oc(c1O)c23)cc7)N(C)CCc6cc5OC)c4
Show InChI InChI=1S/C37H40N2O6/c1-38-14-12-24-19-32(42-4)33-21-27(24)28(38)16-22-6-9-26(10-7-22)44-37-35-25(20-34(43-5)36(37)41)13-15-39(2,3)29(35)17-23-8-11-30(40)31(18-23)45-33/h6-11,18-21,28-29H,12-17H2,1-5H3,(H-,40,41)/p+1
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>1.00E+4n/an/an/an/an/an/an/an/a



Georgetown University

Curated by PDSP Ki Database




Mol Pharmacol 54: 322-33 (1998)


Article DOI: 10.1124/mol.54.2.322
BindingDB Entry DOI: 10.7270/Q2ZW1JGJ
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50000690
PNG
(10,25-dimethoxy-15,15,30-trimethyl-(1S,16R)-7,23-d...)
Show SMILES COc1cc2CC[N+](C)(C)[C@@H]3Cc4ccc(O)c(Oc5cc6[C@H](Cc7ccc(Oc(c1O)c23)cc7)[NH+](C)CCc6cc5OC)c4
Show InChI InChI=1S/C37H40N2O6/c1-38-14-12-24-19-32(42-4)33-21-27(24)28(38)16-22-6-9-26(10-7-22)44-37-35-25(20-34(43-5)36(37)41)13-15-39(2,3)29(35)17-23-8-11-30(40)31(18-23)45-33/h6-11,18-21,28-29H,12-17H2,1-5H3,(H-,40,41)/p+2/t28-,29+/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




Life Sci 19: 69-76 (1976)


Article DOI: 10.1016/0024-3205(76)90375-1
BindingDB Entry DOI: 10.7270/Q23B5XNK
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4


(Homo sapiens (Human))
BDBM81458
PNG
(CAS_57-94-3 | NSC_6000 | d-Tubocurarine)
Show SMILES COc1cc2CC[N+](C)(C)C3Cc4ccc(O)c(Oc5cc6C(Cc7ccc(Oc(c1O)c23)cc7)N(C)CCc6cc5OC)c4
Show InChI InChI=1S/C37H40N2O6/c1-38-14-12-24-19-32(42-4)33-21-27(24)28(38)16-22-6-9-26(10-7-22)44-37-35-25(20-34(43-5)36(37)41)13-15-39(2,3)29(35)17-23-8-11-30(40)31(18-23)45-33/h6-11,18-21,28-29H,12-17H2,1-5H3,(H-,40,41)/p+1
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Bath

Curated by PDSP Ki Database




Mol Pharmacol 53: 950-62 (1998)


BindingDB Entry DOI: 10.7270/Q2B856PT
More data for this
Ligand-Target Pair
n-AChR


(RAT)
BDBM81888
PNG
(CAS_8063-06-7 | Curare | NSC_411885)
Show SMILES COc1cc2CC[N+](C)(C)C3Cc4ccc(O)c(Oc5cc6C(Cc7ccc(Oc(c1O)c23)cc7)[N+](C)(C)CCc6cc5OC)c4
Show InChI InChI=1S/C38H42N2O6/c1-39(2)15-13-25-20-33(43-5)34-22-28(25)29(39)17-23-7-10-27(11-8-23)45-38-36-26(21-35(44-6)37(38)42)14-16-40(3,4)30(36)18-24-9-12-31(41)32(19-24)46-34/h7-12,19-22,29-30H,13-18H2,1-6H3/p+2
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>1.00E+4n/an/an/an/an/an/an/an/a



Georgetown University

Curated by PDSP Ki Database




Mol Pharmacol 39: 9-12 (1991)


BindingDB Entry DOI: 10.7270/Q23T9FPK
More data for this
Ligand-Target Pair
n-AChR


(RAT)
BDBM50000690
PNG
(10,25-dimethoxy-15,15,30-trimethyl-(1S,16R)-7,23-d...)
Show SMILES COc1cc2CC[N+](C)(C)[C@@H]3Cc4ccc(O)c(Oc5cc6[C@H](Cc7ccc(Oc(c1O)c23)cc7)[NH+](C)CCc6cc5OC)c4
Show InChI InChI=1S/C37H40N2O6/c1-38-14-12-24-19-32(42-4)33-21-27(24)28(38)16-22-6-9-26(10-7-22)44-37-35-25(20-34(43-5)36(37)41)13-15-39(2,3)29(35)17-23-8-11-30(40)31(18-23)45-33/h6-11,18-21,28-29H,12-17H2,1-5H3,(H-,40,41)/p+2/t28-,29+/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



R. J. Reynolds Tobacco Company

Curated by PDSP Ki Database




Mol Pharmacol 29: 448-54 (1986)


BindingDB Entry DOI: 10.7270/Q269722Z
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM81458
PNG
(CAS_57-94-3 | NSC_6000 | d-Tubocurarine)
Show SMILES COc1cc2CC[N+](C)(C)C3Cc4ccc(O)c(Oc5cc6C(Cc7ccc(Oc(c1O)c23)cc7)N(C)CCc6cc5OC)c4
Show InChI InChI=1S/C37H40N2O6/c1-38-14-12-24-19-32(42-4)33-21-27(24)28(38)16-22-6-9-26(10-7-22)44-37-35-25(20-34(43-5)36(37)41)13-15-39(2,3)29(35)17-23-8-11-30(40)31(18-23)45-33/h6-11,18-21,28-29H,12-17H2,1-5H3,(H-,40,41)/p+1
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>6.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




Mol Pharmacol 13: 454-73 (1977)


BindingDB Entry DOI: 10.7270/Q2TT4PFZ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM50170594
PNG
((16R)-9,33-dihydroxy-10,25-dimethoxy-15,15,30-trim...)
Show SMILES COc1cc2CC[N+](C)(C)[C@@H]3Cc4cccc(Oc5cc6C(Cc7ccc(Oc(c1O)c23)cc7)N(C)CCc6cc5OC)c4O
Show InChI InChI=1S/C37H40N2O6/c1-38-15-13-23-19-31(42-4)32-21-27(23)28(38)17-22-9-11-26(12-10-22)44-37-34-24(20-33(43-5)36(37)41)14-16-39(2,3)29(34)18-25-7-6-8-30(45-32)35(25)40/h6-12,19-21,28-29H,13-18H2,1-5H3,(H-,40,41)/p+1/t28?,29-/m1/s1
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n/an/a 1.47E+4n/an/an/an/an/an/a



The Danish University of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Inhibitory concentration against Nicotinic acetylcholine receptor alpha 7


J Med Chem 48: 4705-45 (2005)


Article DOI: 10.1021/jm040219e
BindingDB Entry DOI: 10.7270/Q29W0G79
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-2 subunit/subunit beta-4


(Homo sapiens (Human))
BDBM50170594
PNG
((16R)-9,33-dihydroxy-10,25-dimethoxy-15,15,30-trim...)
Show SMILES COc1cc2CC[N+](C)(C)[C@@H]3Cc4cccc(Oc5cc6C(Cc7ccc(Oc(c1O)c23)cc7)N(C)CCc6cc5OC)c4O
Show InChI InChI=1S/C37H40N2O6/c1-38-15-13-23-19-31(42-4)32-21-27(23)28(38)17-22-9-11-26(12-10-22)44-37-34-24(20-33(43-5)36(37)41)14-16-39(2,3)29(34)18-25-7-6-8-30(45-32)35(25)40/h6-12,19-21,28-29H,13-18H2,1-5H3,(H-,40,41)/p+1/t28?,29-/m1/s1
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n/an/a 2.30E+3n/an/an/an/an/an/a



The Danish University of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Inhibitory concentration against Nicotinic acetylcholine receptor alpha2-beta4


J Med Chem 48: 4705-45 (2005)


Article DOI: 10.1021/jm040219e
BindingDB Entry DOI: 10.7270/Q29W0G79
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-2 subunit/subunit beta-4


(Homo sapiens (Human))
BDBM50170594
PNG
((16R)-9,33-dihydroxy-10,25-dimethoxy-15,15,30-trim...)
Show SMILES COc1cc2CC[N+](C)(C)[C@@H]3Cc4cccc(Oc5cc6C(Cc7ccc(Oc(c1O)c23)cc7)N(C)CCc6cc5OC)c4O
Show InChI InChI=1S/C37H40N2O6/c1-38-15-13-23-19-31(42-4)32-21-27(23)28(38)17-22-9-11-26(12-10-22)44-37-34-24(20-33(43-5)36(37)41)14-16-39(2,3)29(34)18-25-7-6-8-30(45-32)35(25)40/h6-12,19-21,28-29H,13-18H2,1-5H3,(H-,40,41)/p+1/t28?,29-/m1/s1
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n/an/a 4.00E+3n/an/an/an/an/an/a



The Danish University of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Inhibitory concentration against Nicotinic acetylcholine receptor alpha2-beta4


J Med Chem 48: 4705-45 (2005)


Article DOI: 10.1021/jm040219e
BindingDB Entry DOI: 10.7270/Q29W0G79
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-2 subunit


(Homo sapiens (Human))
BDBM50170594
PNG
((16R)-9,33-dihydroxy-10,25-dimethoxy-15,15,30-trim...)
Show SMILES COc1cc2CC[N+](C)(C)[C@@H]3Cc4cccc(Oc5cc6C(Cc7ccc(Oc(c1O)c23)cc7)N(C)CCc6cc5OC)c4O
Show InChI InChI=1S/C37H40N2O6/c1-38-15-13-23-19-31(42-4)32-21-27(23)28(38)17-22-9-11-26(12-10-22)44-37-34-24(20-33(43-5)36(37)41)14-16-39(2,3)29(34)18-25-7-6-8-30(45-32)35(25)40/h6-12,19-21,28-29H,13-18H2,1-5H3,(H-,40,41)/p+1/t28?,29-/m1/s1
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n/an/a 230n/an/an/an/an/an/a



The Danish University of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Inhibitory concentration against Nicotinic acetylcholine receptor alpha3-beta2


J Med Chem 48: 4705-45 (2005)


Article DOI: 10.1021/jm040219e
BindingDB Entry DOI: 10.7270/Q29W0G79
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-2 subunit


(Homo sapiens (Human))
BDBM50170594
PNG
((16R)-9,33-dihydroxy-10,25-dimethoxy-15,15,30-trim...)
Show SMILES COc1cc2CC[N+](C)(C)[C@@H]3Cc4cccc(Oc5cc6C(Cc7ccc(Oc(c1O)c23)cc7)N(C)CCc6cc5OC)c4O
Show InChI InChI=1S/C37H40N2O6/c1-38-15-13-23-19-31(42-4)32-21-27(23)28(38)17-22-9-11-26(12-10-22)44-37-34-24(20-33(43-5)36(37)41)14-16-39(2,3)29(34)18-25-7-6-8-30(45-32)35(25)40/h6-12,19-21,28-29H,13-18H2,1-5H3,(H-,40,41)/p+1/t28?,29-/m1/s1
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n/an/a 2.40E+3n/an/an/an/an/an/a



The Danish University of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Inhibitory concentration against Nicotinic acetylcholine receptor alpha3-beta2 expressed in xenopus oocytes


J Med Chem 48: 4705-45 (2005)


Article DOI: 10.1021/jm040219e
BindingDB Entry DOI: 10.7270/Q29W0G79
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50241642
PNG
((+)-Obaberine | CHEMBL451211 | CHEMBL464525 | Obab...)
Show SMILES COc1ccc2C[C@H]3N(C)CCc4cc(OC)c(Oc5c(OC)c(OC)cc6CCN(C)[C@@H](Cc7ccc(Oc1c2)cc7)c56)cc34
Show InChI InChI=1S/C38H42N2O6/c1-39-15-13-25-20-32(42-4)34-22-28(25)29(39)18-24-9-12-31(41-3)33(19-24)45-27-10-7-23(8-11-27)17-30-36-26(14-16-40(30)2)21-35(43-5)37(44-6)38(36)46-34/h7-12,19-22,29-30H,13-18H2,1-6H3/t29-,30+/m1/s1
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n/an/a 2.84E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]raclopride from dopamine D2 receptor in Wistar rat striatal membrane by liquid scintillation counting


J Nat Prod 55: 1281-1286 (1992)


Article DOI: 10.1021/np50087a016
BindingDB Entry DOI: 10.7270/Q2WM1DF2
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM85444
PNG
(CHEMBL506025 | Isotetrandrine (R,S) | Pheanthine (...)
Show SMILES COc1ccc2C[C@H]3N(C)CCc4cc(OC)c(OC)c(Oc5cc6[C@H](Cc7ccc(Oc1c2)cc7)N(C)CCc6cc5OC)c34
Show InChI InChI=1S/C38H42N2O6/c1-39-15-13-25-20-32(42-4)34-22-28(25)29(39)17-23-7-10-27(11-8-23)45-33-19-24(9-12-31(33)41-3)18-30-36-26(14-16-40(30)2)21-35(43-5)37(44-6)38(36)46-34/h7-12,19-22,29-30H,13-18H2,1-6H3/t29-,30+/m0/s1
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n/an/a 670n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]raclopride from dopamine D2 receptor in Wistar rat striatal membrane by liquid scintillation counting


J Nat Prod 55: 1281-1286 (1992)


Article DOI: 10.1021/np50087a016
BindingDB Entry DOI: 10.7270/Q2WM1DF2
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50241642
PNG
((+)-Obaberine | CHEMBL451211 | CHEMBL464525 | Obab...)
Show SMILES COc1ccc2C[C@H]3N(C)CCc4cc(OC)c(Oc5c(OC)c(OC)cc6CCN(C)[C@@H](Cc7ccc(Oc1c2)cc7)c56)cc34
Show InChI InChI=1S/C38H42N2O6/c1-39-15-13-25-20-32(42-4)34-22-28(25)29(39)18-24-9-12-31(41-3)33(19-24)45-27-10-7-23(8-11-27)17-30-36-26(14-16-40(30)2)21-35(43-5)37(44-6)38(36)46-34/h7-12,19-22,29-30H,13-18H2,1-6H3/t29-,30+/m1/s1
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n/an/a 3.91E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from dopamine D1 receptor in Wistar rat striatal membrane by liquid scintillation counting


J Nat Prod 55: 1281-1286 (1992)


Article DOI: 10.1021/np50087a016
BindingDB Entry DOI: 10.7270/Q2WM1DF2
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM85444
PNG
(CHEMBL506025 | Isotetrandrine (R,S) | Pheanthine (...)
Show SMILES COc1ccc2C[C@H]3N(C)CCc4cc(OC)c(OC)c(Oc5cc6[C@H](Cc7ccc(Oc1c2)cc7)N(C)CCc6cc5OC)c34
Show InChI InChI=1S/C38H42N2O6/c1-39-15-13-25-20-32(42-4)34-22-28(25)29(39)17-23-7-10-27(11-8-23)45-33-19-24(9-12-31(33)41-3)18-30-36-26(14-16-40(30)2)21-35(43-5)37(44-6)38(36)46-34/h7-12,19-22,29-30H,13-18H2,1-6H3/t29-,30+/m0/s1
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n/an/a 3.33E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from dopamine D1 receptor in Wistar rat striatal membrane by liquid scintillation counting


J Nat Prod 55: 1281-1286 (1992)


Article DOI: 10.1021/np50087a016
BindingDB Entry DOI: 10.7270/Q2WM1DF2
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50241641
PNG
((+)-Homoaromoline | CHEMBL509855 | Homoaromoline |...)
Show SMILES COc1ccc2C[C@H]3N(C)CCc4cc(OC)c(Oc5c(O)c(OC)cc6CCN(C)[C@@H](Cc7ccc(Oc1c2)cc7)c56)cc34
Show InChI InChI=1S/C37H40N2O6/c1-38-14-12-24-19-31(42-4)33-21-27(24)28(38)17-23-8-11-30(41-3)32(18-23)44-26-9-6-22(7-10-26)16-29-35-25(13-15-39(29)2)20-34(43-5)36(40)37(35)45-33/h6-11,18-21,28-29,40H,12-17H2,1-5H3/t28-,29+/m1/s1
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n/an/a 1.09E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of dopamine transporter-mediated [3H]dopamine uptake in Wistar rat striatal synaptosomes by liquid scintillation spectrometry


J Nat Prod 58: 1475-1484 (1995)


Article DOI: 10.1021/np50124a001
BindingDB Entry DOI: 10.7270/Q2XK8FKW
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50241642
PNG
((+)-Obaberine | CHEMBL451211 | CHEMBL464525 | Obab...)
Show SMILES COc1ccc2C[C@H]3N(C)CCc4cc(OC)c(Oc5c(OC)c(OC)cc6CCN(C)[C@@H](Cc7ccc(Oc1c2)cc7)c56)cc34
Show InChI InChI=1S/C38H42N2O6/c1-39-15-13-25-20-32(42-4)34-22-28(25)29(39)18-24-9-12-31(41-3)33(19-24)45-27-10-7-23(8-11-27)17-30-36-26(14-16-40(30)2)21-35(43-5)37(44-6)38(36)46-34/h7-12,19-22,29-30H,13-18H2,1-6H3/t29-,30+/m1/s1
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n/an/a 3.90E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of dopamine transporter-mediated [3H]dopamine uptake in Wistar rat striatal synaptosomes by liquid scintillation spectrometry


J Nat Prod 58: 1475-1484 (1995)


Article DOI: 10.1021/np50124a001
BindingDB Entry DOI: 10.7270/Q2XK8FKW
More data for this
Ligand-Target Pair
Acetylcholine receptor protein alpha/beta/delta/gamma chain


(Torpedo californica)
BDBM50000690
PNG
(10,25-dimethoxy-15,15,30-trimethyl-(1S,16R)-7,23-d...)
Show SMILES COc1cc2CC[N+](C)(C)[C@@H]3Cc4ccc(O)c(Oc5cc6[C@H](Cc7ccc(Oc(c1O)c23)cc7)[NH+](C)CCc6cc5OC)c4
Show InChI InChI=1S/C37H40N2O6/c1-38-14-12-24-19-32(42-4)33-21-27(24)28(38)16-22-6-9-26(10-7-22)44-37-35-25(20-34(43-5)36(37)41)13-15-39(2,3)29(35)17-23-8-11-30(40)31(18-23)45-33/h6-11,18-21,28-29H,12-17H2,1-5H3,(H-,40,41)/p+2/t28-,29+/m0/s1
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n/an/an/an/a 3.20E+6n/an/an/an/a



University of California-San Diego

Curated by ChEMBL


Assay Description
In vitro ability of the compound to inhibit the binding of [125I]-alpha-bungarotoxin to nicotinic acetylcholine receptor on membranes prepared from t...


J Med Chem 34: 1798-804 (1991)


Article DOI: 10.1021/jm00110a007
BindingDB Entry DOI: 10.7270/Q2TX3DBZ
More data for this
Ligand-Target Pair
Trypanothione Reductase (TR)


(Crithidia fasciculata)
BDBM50241641
PNG
((+)-Homoaromoline | CHEMBL509855 | Homoaromoline |...)
Show SMILES COc1ccc2C[C@H]3N(C)CCc4cc(OC)c(Oc5c(O)c(OC)cc6CCN(C)[C@@H](Cc7ccc(Oc1c2)cc7)c56)cc34
Show InChI InChI=1S/C37H40N2O6/c1-38-14-12-24-19-31(42-4)33-21-27(24)28(38)17-23-8-11-30(41-3)32(18-23)44-26-9-6-22(7-10-26)16-29-35-25(13-15-39(29)2)20-34(43-5)36(40)37(35)45-33/h6-11,18-21,28-29,40H,12-17H2,1-5H3/t28-,29+/m1/s1
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n/an/a 5.50E+4n/an/an/an/a7.825



ORSTOM



Assay Description
Crithidia fasciculata trypanothione reductase (cfTR) was purifed from E.coli using the expression system. The activity of the cfTR was observed from...


J Enzym Inhib 13: 1-9 (1998)


BindingDB Entry DOI: 10.7270/Q29Z93FJ
More data for this
Ligand-Target Pair
Trypanothione Reductase (TR)


(Crithidia fasciculata)
BDBM85442
PNG
(Gyrocarpine (S,R))
Show SMILES COc1ccc2C[C@H]3N(C)CCc4cc(OC)c(Oc5c(OC)c(O)cc6CCN(C)[C@@H](Cc7ccc(Oc1c2)cc7)c56)cc34
Show InChI InChI=1S/C37H40N2O6/c1-38-14-12-24-20-32(42-4)34-21-27(24)28(38)17-23-8-11-31(41-3)33(18-23)44-26-9-6-22(7-10-26)16-29-35-25(13-15-39(29)2)19-30(40)36(43-5)37(35)45-34/h6-11,18-21,28-29,40H,12-17H2,1-5H3/t28-,29+/m1/s1
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n/an/a 5.80E+4n/an/an/an/a7.825



ORSTOM



Assay Description
Crithidia fasciculata trypanothione reductase (cfTR) was purifed from E.coli using the expression system. The activity of the cfTR was observed from...


J Enzym Inhib 13: 1-9 (1998)


BindingDB Entry DOI: 10.7270/Q29Z93FJ
More data for this
Ligand-Target Pair
Trypanothione Reductase (TR)


(Crithidia fasciculata)
BDBM85444
PNG
(CHEMBL506025 | Isotetrandrine (R,S) | Pheanthine (...)
Show SMILES COc1ccc2C[C@H]3N(C)CCc4cc(OC)c(OC)c(Oc5cc6[C@H](Cc7ccc(Oc1c2)cc7)N(C)CCc6cc5OC)c34
Show InChI InChI=1S/C38H42N2O6/c1-39-15-13-25-20-32(42-4)34-22-28(25)29(39)17-23-7-10-27(11-8-23)45-33-19-24(9-12-31(33)41-3)18-30-36-26(14-16-40(30)2)21-35(43-5)37(44-6)38(36)46-34/h7-12,19-22,29-30H,13-18H2,1-6H3/t29-,30+/m0/s1
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n/an/a 2.35E+5n/an/an/an/a7.825



ORSTOM



Assay Description
Crithidia fasciculata trypanothione reductase (cfTR) was purifed from E.coli using the expression system. The activity of the cfTR was observed from...


J Enzym Inhib 13: 1-9 (1998)


BindingDB Entry DOI: 10.7270/Q29Z93FJ
More data for this
Ligand-Target Pair
Trypanothione Reductase (TR)


(Crithidia fasciculata)
BDBM85444
PNG
(CHEMBL506025 | Isotetrandrine (R,S) | Pheanthine (...)
Show SMILES COc1ccc2C[C@H]3N(C)CCc4cc(OC)c(OC)c(Oc5cc6[C@H](Cc7ccc(Oc1c2)cc7)N(C)CCc6cc5OC)c34
Show InChI InChI=1S/C38H42N2O6/c1-39-15-13-25-20-32(42-4)34-22-28(25)29(39)17-23-7-10-27(11-8-23)45-33-19-24(9-12-31(33)41-3)18-30-36-26(14-16-40(30)2)21-35(43-5)37(44-6)38(36)46-34/h7-12,19-22,29-30H,13-18H2,1-6H3/t29-,30+/m0/s1
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n/an/a 1.22E+5n/an/an/an/a7.825



ORSTOM



Assay Description
Crithidia fasciculata trypanothione reductase (cfTR) was purifed from E.coli using the expression system. The activity of the cfTR was observed from...


J Enzym Inhib 13: 1-9 (1998)


BindingDB Entry DOI: 10.7270/Q29Z93FJ
More data for this
Ligand-Target Pair
Trypanothione Reductase (TR)


(Crithidia fasciculata)
BDBM85446
PNG
(Cycleanine (R,R))
Show SMILES COc1cc2CCN(C)[C@@H]3Cc4ccc(Oc5c(OC)c(OC)cc6CCN(C)[C@H](Cc7ccc(Oc(c1OC)c23)cc7)c56)cc4
Show InChI InChI=1S/C38H42N2O6/c1-39-17-15-25-21-31(41-3)35(43-5)37-33(25)29(39)19-23-7-11-28(12-8-23)46-38-34-26(22-32(42-4)36(38)44-6)16-18-40(2)30(34)20-24-9-13-27(45-37)14-10-24/h7-14,21-22,29-30H,15-20H2,1-6H3/t29-,30-/m1/s1
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n/an/a 3.03E+5n/an/an/an/a7.825



ORSTOM



Assay Description
Crithidia fasciculata trypanothione reductase (cfTR) was purifed from E.coli using the expression system. The activity of the cfTR was observed from...


J Enzym Inhib 13: 1-9 (1998)


BindingDB Entry DOI: 10.7270/Q29Z93FJ
More data for this
Ligand-Target Pair
Trypanothione Reductase (TR)


(Crithidia fasciculata)
BDBM85443
PNG
(Limacine (R,R))
Show SMILES COc1ccc2C[C@H]3N(C)CCc4cc(OC)c(O)c(Oc5cc6[C@H](Cc7ccc(Oc1c2)cc7)N(C)CCc6cc5OC)c34
Show InChI InChI=1S/C37H40N2O6/c1-38-14-12-24-19-31(42-4)33-21-27(24)28(38)16-22-6-9-26(10-7-22)44-32-18-23(8-11-30(32)41-3)17-29-35-25(13-15-39(29)2)20-34(43-5)36(40)37(35)45-33/h6-11,18-21,28-29,40H,12-17H2,1-5H3/t28-,29+/m0/s1
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n/an/a 9.00E+4n/an/an/an/a7.825



ORSTOM



Assay Description
Crithidia fasciculata trypanothione reductase (cfTR) was purifed from E.coli using the expression system. The activity of the cfTR was observed from...


J Enzym Inhib 13: 1-9 (1998)


BindingDB Entry DOI: 10.7270/Q29Z93FJ
More data for this
Ligand-Target Pair
Trypanothione Reductase (TR)


(Crithidia fasciculata)
BDBM41947
PNG
((-)-BEBEERINE | MLS000069827 | SMR000058852 | bebe...)
Show SMILES COc1cc2CCN(C)[C@@H]3Cc4ccc(O)c(Oc5cc6[C@@H](Cc7ccc(Oc(c1O)c23)cc7)N(C)CCc6cc5OC)c4
Show InChI InChI=1S/C36H38N2O6/c1-37-13-11-23-18-31(41-3)32-20-26(23)27(37)15-21-5-8-25(9-6-21)43-36-34-24(19-33(42-4)35(36)40)12-14-38(2)28(34)16-22-7-10-29(39)30(17-22)44-32/h5-10,17-20,27-28,39-40H,11-16H2,1-4H3/t27-,28-/m1/s1
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n/an/a 6.00E+4n/an/an/an/a7.825



ORSTOM



Assay Description
Crithidia fasciculata trypanothione reductase (cfTR) was purifed from E.coli using the expression system. The activity of the cfTR was observed from...


J Enzym Inhib 13: 1-9 (1998)


BindingDB Entry DOI: 10.7270/Q29Z93FJ
More data for this
Ligand-Target Pair
Trypanothione Reductase (TR)


(Crithidia fasciculata)
BDBM85441
PNG
(Daphnoline (R,S))
Show SMILES COc1cc2CCN(C)[C@H]3Cc4ccc(Oc5cc(C[C@H]6NCCc7cc(OC)c(Oc(c1O)c23)cc67)ccc5O)cc4
Show InChI InChI=1S/C35H36N2O6/c1-37-13-11-23-18-32(41-3)34(39)35-33(23)27(37)15-20-4-7-24(8-5-20)42-29-16-21(6-9-28(29)38)14-26-25-19-31(43-35)30(40-2)17-22(25)10-12-36-26/h4-9,16-19,26-27,36,38-39H,10-15H2,1-3H3/t26-,27+/m1/s1
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n/an/a 5.00E+4n/an/an/an/a7.825



ORSTOM



Assay Description
Crithidia fasciculata trypanothione reductase (cfTR) was purifed from E.coli using the expression system. The activity of the cfTR was observed from...


J Enzym Inhib 13: 1-9 (1998)


BindingDB Entry DOI: 10.7270/Q29Z93FJ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM41947
PNG
((-)-BEBEERINE | MLS000069827 | SMR000058852 | bebe...)
Show SMILES COc1cc2CCN(C)[C@@H]3Cc4ccc(O)c(Oc5cc6[C@@H](Cc7ccc(Oc(c1O)c23)cc7)N(C)CCc6cc5OC)c4
Show InChI InChI=1S/C36H38N2O6/c1-37-13-11-23-18-31(41-3)32-20-26(23)27(37)15-21-5-8-25(9-6-21)43-36-34-24(19-33(42-4)35(36)40)12-14-38(2)28(34)16-22-7-10-29(39)30(17-22)44-32/h5-10,17-20,27-28,39-40H,11-16H2,1-4H3/t27-,28-/m1/s1
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n/an/an/an/a 4.42E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2011)


Article DOI: 10.1021/acs.biochem.5b00135
BindingDB Entry DOI: 10.7270/Q22V2DN3
More data for this
Ligand-Target Pair
ubiquitin-conjugating enzyme E2 N


(Homo sapiens (Human))
BDBM79337
PNG
(MLS002473157 | SMR001397249 | cid_44143978 | isotr...)
Show SMILES COc1ccc2C[C@@H]3N(C)CCc4ccc5Oc6c(OC)cc7CCN(C)[C@@H](Cc8ccc(Oc1c2)cc8)c7c6Oc5c34
Show InChI InChI=1S/C36H36N2O5/c1-37-15-13-23-8-12-29-34-32(23)27(37)18-22-7-11-28(39-3)30(19-22)41-25-9-5-21(6-10-25)17-26-33-24(14-16-38(26)2)20-31(40-4)35(42-29)36(33)43-34/h5-12,19-20,26-27H,13-18H2,1-4H3/t26-,27-/m0/s1
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n/an/a 1.60E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2X34VX0
More data for this
Ligand-Target Pair
Bfl-1


(Mus musculus (Mouse))
BDBM79337
PNG
(MLS002473157 | SMR001397249 | cid_44143978 | isotr...)
Show SMILES COc1ccc2C[C@@H]3N(C)CCc4ccc5Oc6c(OC)cc7CCN(C)[C@@H](Cc8ccc(Oc1c2)cc8)c7c6Oc5c34
Show InChI InChI=1S/C36H36N2O5/c1-37-15-13-23-8-12-29-34-32(23)27(37)18-22-7-11-28(39-3)30(19-22)41-25-9-5-21(6-10-25)17-26-33-24(14-16-38(26)2)20-31(40-4)35(42-29)36(33)43-34/h5-12,19-20,26-27H,13-18H2,1-4H3/t26-,27-/m0/s1
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n/an/a>2.00E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q25D8Q92
More data for this
Ligand-Target Pair
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