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Compile Data Set for Download or QSAR

Found 46 hits with Last Name = 'bhatnagar' and Initial = 'rk'   
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
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM21397
PNG
(8-[4-(4-fluorophenyl)-4-keto-butyl]-1-phenyl-1,3,8...)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)N(CNC2=O)c1ccccc1
Show InChI InChI=1S/C23H26FN3O2/c24-19-10-8-18(9-11-19)21(28)7-4-14-26-15-12-23(13-16-26)22(29)25-17-27(23)20-5-2-1-3-6-20/h1-3,5-6,8-11H,4,7,12-17H2,(H,25,29)
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0.0450n/an/an/an/an/an/an/an/a



College of Pharmacy University of Iowa

Curated by ChEMBL


Assay Description
Binding affinity of compound against Dopamine receptor D2 binding site using radioligand [3H]spiperone


J Med Chem 32: 1959-62 (1989)


BindingDB Entry DOI: 10.7270/Q237799C
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM21393
PNG
(7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-o...)
Show SMILES CCCN(CCC)C1CCc2cccc(O)c2C1
Show InChI InChI=1S/C16H25NO/c1-3-10-17(11-4-2)14-9-8-13-6-5-7-16(18)15(13)12-14/h5-7,14,18H,3-4,8-12H2,1-2H3
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2.10n/an/an/an/an/an/an/an/a



College of Pharmacy University of Iowa

Curated by ChEMBL


Assay Description
Binding affinity of compound against 5-hydroxytryptamine 1A receptor binding site using radioligand [3H]8-OH-DPAT


J Med Chem 32: 1959-62 (1989)


BindingDB Entry DOI: 10.7270/Q237799C
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50017514
PNG
(8,11-Dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dib...)
Show SMILES COc1ccc(OC)c-2c1C[C@H]1N(C)CCc3cccc-2c13
Show InChI InChI=1S/C19H21NO2/c1-20-10-9-12-5-4-6-13-18(12)15(20)11-14-16(21-2)7-8-17(22-3)19(13)14/h4-8,15H,9-11H2,1-3H3/t15-/m1/s1
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8.60n/an/an/an/an/an/an/an/a



College of Pharmacy University of Iowa

Curated by ChEMBL


Assay Description
Binding affinity of compound against 5-hydroxytryptamine 1A receptor binding site using radioligand [3H]8-OH-DPAT


J Med Chem 32: 1959-62 (1989)


BindingDB Entry DOI: 10.7270/Q237799C
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM21397
PNG
(8-[4-(4-fluorophenyl)-4-keto-butyl]-1-phenyl-1,3,8...)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)N(CNC2=O)c1ccccc1
Show InChI InChI=1S/C23H26FN3O2/c24-19-10-8-18(9-11-19)21(28)7-4-14-26-15-12-23(13-16-26)22(29)25-17-27(23)20-5-2-1-3-6-20/h1-3,5-6,8-11H,4,7,12-17H2,(H,25,29)
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30n/an/an/an/an/an/an/an/a



College of Pharmacy University of Iowa

Curated by ChEMBL


Assay Description
Binding affinity of compound against 5-hydroxytryptamine 1A receptor binding site using radioligand [3H]8-OH-DPAT


J Med Chem 32: 1959-62 (1989)


BindingDB Entry DOI: 10.7270/Q237799C
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50017514
PNG
(8,11-Dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dib...)
Show SMILES COc1ccc(OC)c-2c1C[C@H]1N(C)CCc3cccc-2c13
Show InChI InChI=1S/C19H21NO2/c1-20-10-9-12-5-4-6-13-18(12)15(20)11-14-16(21-2)7-8-17(22-3)19(13)14/h4-8,15H,9-11H2,1-3H3/t15-/m1/s1
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210n/an/an/an/an/an/an/an/a



College of Pharmacy University of Iowa

Curated by ChEMBL


Assay Description
Binding affinity of compound against Dopamine receptor D2 binding site using radioligand [3H]spiperone


J Med Chem 32: 1959-62 (1989)


BindingDB Entry DOI: 10.7270/Q237799C
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50017513
PNG
(8,11-Dimethoxy-6-propyl-5,6,6a,7-tetrahydro-4H-dib...)
Show SMILES CCCN1CCc2cccc-3c2[C@H]1Cc1c(OC)ccc(OC)c-31
Show InChI InChI=1S/C21H25NO2/c1-4-11-22-12-10-14-6-5-7-15-20(14)17(22)13-16-18(23-2)8-9-19(24-3)21(15)16/h5-9,17H,4,10-13H2,1-3H3/t17-/m1/s1
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240n/an/an/an/an/an/an/an/a



College of Pharmacy University of Iowa

Curated by ChEMBL


Assay Description
Binding affinity of compound against 5-hydroxytryptamine 1A receptor binding site using radioligand [3H]8-OH-DPAT


J Med Chem 32: 1959-62 (1989)


BindingDB Entry DOI: 10.7270/Q237799C
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50017513
PNG
(8,11-Dimethoxy-6-propyl-5,6,6a,7-tetrahydro-4H-dib...)
Show SMILES CCCN1CCc2cccc-3c2[C@H]1Cc1c(OC)ccc(OC)c-31
Show InChI InChI=1S/C21H25NO2/c1-4-11-22-12-10-14-6-5-7-15-20(14)17(22)13-16-18(23-2)8-9-19(24-3)21(15)16/h5-9,17H,4,10-13H2,1-3H3/t17-/m1/s1
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770n/an/an/an/an/an/an/an/a



College of Pharmacy University of Iowa

Curated by ChEMBL


Assay Description
Binding affinity of compound against Dopamine receptor D2 binding site using radioligand [3H]spiperone


J Med Chem 32: 1959-62 (1989)


BindingDB Entry DOI: 10.7270/Q237799C
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM21393
PNG
(7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-o...)
Show SMILES CCCN(CCC)C1CCc2cccc(O)c2C1
Show InChI InChI=1S/C16H25NO/c1-3-10-17(11-4-2)14-9-8-13-6-5-7-16(18)15(13)12-14/h5-7,14,18H,3-4,8-12H2,1-2H3
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3.50E+3n/an/an/an/an/an/an/an/a



College of Pharmacy University of Iowa

Curated by ChEMBL


Assay Description
Binding affinity of compound against Dopamine receptor D2 binding site using radioligand [3H]spiperone


J Med Chem 32: 1959-62 (1989)


BindingDB Entry DOI: 10.7270/Q237799C
More data for this
Ligand-Target Pair
Falcipain-2


(Plasmodium falciparum)
BDBM50261135
PNG
(CHEMBL525938 | LMNNAEHINQFYMFI)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CC(C)C)[C@@H](C)CC)C(O)=O |r|
Show InChI InChI=1S/C86H125N21O23S2/c1-10-45(5)70(106-84(127)61(38-51-42-92-43-93-51)102-75(118)55(27-29-69(113)114)95-72(115)47(7)94-78(121)62(39-66(89)110)104-82(125)63(40-67(90)111)103-76(119)56(30-32-131-8)96-73(116)53(87)34-44(3)4)85(128)105-64(41-68(91)112)81(124)97-54(26-28-65(88)109)74(117)99-58(35-48-18-14-12-15-19-48)80(123)101-59(37-50-22-24-52(108)25-23-50)79(122)98-57(31-33-132-9)77(120)100-60(36-49-20-16-13-17-21-49)83(126)107-71(86(129)130)46(6)11-2/h12-25,42-47,53-64,70-71,108H,10-11,26-41,87H2,1-9H3,(H2,88,109)(H2,89,110)(H2,90,111)(H2,91,112)(H,92,93)(H,94,121)(H,95,115)(H,96,116)(H,97,124)(H,98,122)(H,99,117)(H,100,120)(H,101,123)(H,102,118)(H,103,119)(H,104,125)(H,105,128)(H,106,127)(H,107,126)(H,113,114)(H,129,130)/t45-,46-,47-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,70-,71-/m0/s1
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3.80E+3n/an/an/an/an/an/an/an/a



International Center for Genetic Engineering and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum recombinant falcipain-2


J Med Chem 51: 3116-23 (2008)


Article DOI: 10.1021/jm070735f
BindingDB Entry DOI: 10.7270/Q20G3JZR
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))
BDBM50368271
PNG
(CHEMBL1204112)
Show SMILES C[N+](C)(CC1OCCCO1)CC(=O)c1ccc(cc1)-c1ccc(cc1)C(=O)C[N+](C)(C)CC1OCCCO1
Show InChI InChI=1S/C30H42N2O6/c1-31(2,21-29-35-15-5-16-36-29)19-27(33)25-11-7-23(8-12-25)24-9-13-26(14-10-24)28(34)20-32(3,4)22-30-37-17-6-18-38-30/h7-14,29-30H,5-6,15-22H2,1-4H3/q+2
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n/an/a 3n/an/an/an/an/an/a



University of Iowa

Curated by ChEMBL


Assay Description
Concentration required to inhibit hydrolytic activity of bovine erythrocyte acetylcholinesterase by 50%


J Med Chem 34: 1582-4 (1991)


BindingDB Entry DOI: 10.7270/Q26D5TK2
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))
BDBM50004000
PNG
((3aS,8aR)-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydro...)
Show SMILES CNC(=O)Oc1ccc2N(C)[C@H]3N(C)CC[C@@]3(C)c2c1 |r|
Show InChI InChI=1S/C15H21N3O2/c1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2/h5-6,9,13H,7-8H2,1-4H3,(H,16,19)/t13-,15+/m1/s1
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n/an/a 30n/an/an/an/an/an/a



University of Iowa

Curated by ChEMBL


Assay Description
Concentration required to inhibit hydrolytic activity of Acetylcholinesterase by 50%


J Med Chem 34: 1582-4 (1991)


BindingDB Entry DOI: 10.7270/Q26D5TK2
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))
BDBM50313079
PNG
(3-Dimethylcarbamoyloxy-1-methyl-pyridinium; bromid...)
Show SMILES CN(C)C(=O)Oc1ccc[n+](C)c1
Show InChI InChI=1S/C9H13N2O2/c1-10(2)9(12)13-8-5-4-6-11(3)7-8/h4-7H,1-3H3/q+1
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n/an/a 50n/an/an/an/an/an/a



University of Iowa

Curated by ChEMBL


Assay Description
Concentration required to inhibit hydrolytic activity of bovine erythrocyte acetylcholinesterase by 50%


J Med Chem 34: 1582-4 (1991)


BindingDB Entry DOI: 10.7270/Q26D5TK2
More data for this
Ligand-Target Pair
Dopamine receptor


(BOVINE)
BDBM55121
PNG
(3-HYDROXYTYRAMINE HYDROCHLORIDE | 4-(2-aminoethyl)...)
Show SMILES NCCc1ccc(O)c(O)c1
Show InChI InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2
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n/an/a 510n/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 25: 1442-6 (1982)

More data for this
Ligand-Target Pair
Dopamine receptor


(BOVINE)
BDBM50001955
PNG
((-)6-Methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]qu...)
Show SMILES CN1CCc2cccc-3c2[C@H]1Cc1ccc(O)c(O)c-31 |r|
Show InChI InChI=1S/C17H17NO2/c1-18-8-7-10-3-2-4-12-15(10)13(18)9-11-5-6-14(19)17(20)16(11)12/h2-6,13,19-20H,7-9H2,1H3/t13-/m1/s1
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n/an/a 830n/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 25: 1442-6 (1982)

More data for this
Ligand-Target Pair
Dopamine receptor


(BOVINE)
BDBM50224035
PNG
(79907 | LERGOTRILE | Lergotrile)
Show SMILES [H][C@@]12Cc3c(Cl)[nH]c4cccc(c34)[C@@]1([H])C[C@@H](CC#N)CN2C
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n/an/a 4.50E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 25: 1442-6 (1982)

More data for this
Ligand-Target Pair
Dopamine receptor


(BOVINE)
BDBM50223956
PNG
(CHEMBL555412)
Show SMILES Br.CN(C)C1Cc2cc(O)c(O)cc2C1
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n/an/a 6.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 25: 1442-6 (1982)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))
BDBM50368269
PNG
(CHEMBL1202156)
Show SMILES C[N+](C)(CC1CCCCO1)CC(=O)c1ccc(cc1)-c1ccc(cc1)C(=O)C[N+](C)(C)CC1CCCCO1
Show InChI InChI=1S/C32H46N2O4/c1-33(2,21-29-9-5-7-19-37-29)23-31(35)27-15-11-25(12-16-27)26-13-17-28(18-14-26)32(36)24-34(3,4)22-30-10-6-8-20-38-30/h11-18,29-30H,5-10,19-24H2,1-4H3/q+2
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n/an/a 6.90E+3n/an/an/an/an/an/a



University of Iowa

Curated by ChEMBL


Assay Description
Concentration required to inhibit hydrolytic activity of bovine erythrocyte acetylcholinesterase by 50%


J Med Chem 34: 1582-4 (1991)


BindingDB Entry DOI: 10.7270/Q26D5TK2
More data for this
Ligand-Target Pair
Dopamine receptor


(BOVINE)
BDBM50001955
PNG
((-)6-Methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]qu...)
Show SMILES CN1CCc2cccc-3c2[C@H]1Cc1ccc(O)c(O)c-31 |r|
Show InChI InChI=1S/C17H17NO2/c1-18-8-7-10-3-2-4-12-15(10)13(18)9-11-5-6-14(19)17(20)16(11)12/h2-6,13,19-20H,7-9H2,1H3/t13-/m1/s1
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n/an/a 8.70E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 25: 1442-6 (1982)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))
BDBM50368268
PNG
(CHEMBL1202155)
Show SMILES C[N+](C)(CC1OCCO1)CC(=O)c1ccc(cc1)-c1ccc(cc1)C(=O)C[N+](C)(C)CC1OCCO1
Show InChI InChI=1S/C28H38N2O6/c1-29(2,19-27-33-13-14-34-27)17-25(31)23-9-5-21(6-10-23)22-7-11-24(12-8-22)26(32)18-30(3,4)20-28-35-15-16-36-28/h5-12,27-28H,13-20H2,1-4H3/q+2
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n/an/a 9.90E+3n/an/an/an/an/an/a



University of Iowa

Curated by ChEMBL


Assay Description
Concentration required to inhibit hydrolytic activity of bovine erythrocyte acetylcholinesterase by 50%


J Med Chem 34: 1582-4 (1991)


BindingDB Entry DOI: 10.7270/Q26D5TK2
More data for this
Ligand-Target Pair
Dopamine receptor


(BOVINE)
BDBM50223901
PNG
(CHEMBL544695)
Show SMILES Br.CN(C)C1Cc2ccc(O)c(O)c2C1
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n/an/a 1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 25: 1442-6 (1982)

More data for this
Ligand-Target Pair
Dopamine receptor


(BOVINE)
BDBM50223957
PNG
(CHEMBL544931)
Show SMILES Br.CCCN(CCC)C1Cc2ccc(O)c(O)c2C1
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n/an/a 1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 25: 1442-6 (1982)

More data for this
Ligand-Target Pair
Dopamine receptor


(BOVINE)
BDBM50107876
PNG
((5,6-Dimethoxy-indan-2-yl)-dipropyl-amine | CHEMBL...)
Show SMILES CCCN(CCC)C1Cc2cc(OC)c(OC)cc2C1
Show InChI InChI=1S/C17H27NO2/c1-5-7-18(8-6-2)15-9-13-11-16(19-3)17(20-4)12-14(13)10-15/h11-12,15H,5-10H2,1-4H3
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n/an/a 1.04E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 25: 1442-6 (1982)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))
BDBM50368272
PNG
(CHEMBL1202157)
Show SMILES C[N+](C)(CC1CCOCO1)CC(=O)c1ccc(cc1)-c1ccc(cc1)C(=O)C[N+](C)(C)CC1CCOCO1
Show InChI InChI=1S/C30H42N2O6/c1-31(2,17-27-13-15-35-21-37-27)19-29(33)25-9-5-23(6-10-25)24-7-11-26(12-8-24)30(34)20-32(3,4)18-28-14-16-36-22-38-28/h5-12,27-28H,13-22H2,1-4H3/q+2
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n/an/a 1.42E+4n/an/an/an/an/an/a



University of Iowa

Curated by ChEMBL


Assay Description
Concentration required to inhibit hydrolytic activity of bovine erythrocyte acetylcholinesterase by 50%


J Med Chem 34: 1582-4 (1991)


BindingDB Entry DOI: 10.7270/Q26D5TK2
More data for this
Ligand-Target Pair
Dopamine receptor


(BOVINE)
BDBM50290378
PNG
(2-Dipropylamino-indan-5,6-diol | CHEMBL277743)
Show SMILES CCCN(CCC)C1Cc2cc(O)c(O)cc2C1
Show InChI InChI=1S/C15H23NO2/c1-3-5-16(6-4-2)13-7-11-9-14(17)15(18)10-12(11)8-13/h9-10,13,17-18H,3-8H2,1-2H3
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n/an/a 1.76E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 25: 1442-6 (1982)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))
BDBM50012004
PNG
((2-Biphenyl-4-yl-2-oxo-ethyl)-[1,3]dioxan-2-ylmeth...)
Show SMILES C[N+](C)(CC1OCCCO1)CC(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C21H26NO3/c1-22(2,16-21-24-13-6-14-25-21)15-20(23)19-11-9-18(10-12-19)17-7-4-3-5-8-17/h3-5,7-12,21H,6,13-16H2,1-2H3/q+1
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n/an/a 2.01E+4n/an/an/an/an/an/a



University of Iowa

Curated by ChEMBL


Assay Description
Concentration required to inhibit hydrolytic activity of bovine erythrocyte acetylcholinesterase by 50%


J Med Chem 34: 1582-4 (1991)


BindingDB Entry DOI: 10.7270/Q26D5TK2
More data for this
Ligand-Target Pair
Dopamine receptor


(BOVINE)
BDBM50224035
PNG
(79907 | LERGOTRILE | Lergotrile)
Show SMILES [H][C@@]12Cc3c(Cl)[nH]c4cccc(c34)[C@@]1([H])C[C@@H](CC#N)CN2C
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n/an/a 2.37E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 25: 1442-6 (1982)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))
BDBM50368270
PNG
(CHEMBL1202154)
Show SMILES C[N+](C)(CC1CCCCC1)CC(=O)c1ccc(cc1)-c1ccc(cc1)C(=O)C[N+](C)(C)CC1CCCCC1
Show InChI InChI=1S/C34H50N2O2/c1-35(2,23-27-11-7-5-8-12-27)25-33(37)31-19-15-29(16-20-31)30-17-21-32(22-18-30)34(38)26-36(3,4)24-28-13-9-6-10-14-28/h15-22,27-28H,5-14,23-26H2,1-4H3/q+2
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n/an/a 2.50E+4n/an/an/an/an/an/a



University of Iowa

Curated by ChEMBL


Assay Description
Concentration required to inhibit hydrolytic activity of bovine erythrocyte acetylcholinesterase by 50%


J Med Chem 34: 1582-4 (1991)


BindingDB Entry DOI: 10.7270/Q26D5TK2
More data for this
Ligand-Target Pair
Dopamine receptor


(BOVINE)
BDBM50223959
PNG
(CHEMBL538227)
Show SMILES Br.CCN(CC)C1Cc2ccc(OC)c(OC)c2C1
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n/an/a 2.90E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 25: 1442-6 (1982)

More data for this
Ligand-Target Pair
Dopamine receptor


(BOVINE)
BDBM50224033
PNG
(CHEMBL540009)
Show SMILES Br.CCN(CC)C1Cc2ccc(O)c(O)c2C1
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n/an/a 3.90E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 25: 1442-6 (1982)

More data for this
Ligand-Target Pair
Dopamine receptor


(BOVINE)
BDBM50224034
PNG
(CHEMBL538726)
Show SMILES Cl.COc1cc2CC(Cc2cc1OC)N(C)C
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n/an/a 5.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 25: 1442-6 (1982)

More data for this
Ligand-Target Pair
Dopamine receptor


(BOVINE)
BDBM50223957
PNG
(CHEMBL544931)
Show SMILES Br.CCCN(CCC)C1Cc2ccc(O)c(O)c2C1
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n/an/a 5.39E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 25: 1442-6 (1982)

More data for this
Ligand-Target Pair
Dopamine receptor


(BOVINE)
BDBM50223901
PNG
(CHEMBL544695)
Show SMILES Br.CN(C)C1Cc2ccc(O)c(O)c2C1
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n/an/a 9.10E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 25: 1442-6 (1982)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))
BDBM50011998
PNG
(CHEMBL298102 | [1,3]Dioxan-2-ylmethyl-dimethyl-(2-...)
Show SMILES C[N+](C)(CC1OCCCO1)CC(=O)c1ccccc1
Show InChI InChI=1S/C15H22NO3/c1-16(2,12-15-18-9-6-10-19-15)11-14(17)13-7-4-3-5-8-13/h3-5,7-8,15H,6,9-12H2,1-2H3/q+1
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Iowa

Curated by ChEMBL


Assay Description
Concentration required to inhibit hydrolytic activity of bovine erythrocyte acetylcholinesterase by 50%


J Med Chem 34: 1582-4 (1991)


BindingDB Entry DOI: 10.7270/Q26D5TK2
More data for this
Ligand-Target Pair
Dopamine receptor


(BOVINE)
BDBM50223900
PNG
(CHEMBL34176)
Show SMILES COc1ccc2CC(Cc2c1OC)N(C)C
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n/an/a 1.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 25: 1442-6 (1982)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))
BDBM50011996
PNG
(CHEMBL290329 | [1,3]Dioxan-2-ylmethyl-trimethyl-am...)
Show SMILES C[N+](C)(C)CC1OCCCO1
Show InChI InChI=1S/C8H18NO2/c1-9(2,3)7-8-10-5-4-6-11-8/h8H,4-7H2,1-3H3/q+1
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Iowa

Curated by ChEMBL


Assay Description
Concentration required to inhibit hydrolytic activity of bovine erythrocyte acetylcholinesterase by 50%


J Med Chem 34: 1582-4 (1991)


BindingDB Entry DOI: 10.7270/Q26D5TK2
More data for this
Ligand-Target Pair
Dopamine receptor


(BOVINE)
BDBM50223956
PNG
(CHEMBL555412)
Show SMILES Br.CN(C)C1Cc2cc(O)c(O)cc2C1
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n/an/a 1.04E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 25: 1442-6 (1982)

More data for this
Ligand-Target Pair
Dopamine receptor


(BOVINE)
BDBM50223958
PNG
(CHEMBL544697)
Show SMILES Cl.CCCNC1Cc2ccc(OC)c(OC)c2C1
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n/an/a 1.05E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 25: 1442-6 (1982)

More data for this
Ligand-Target Pair
Dopamine receptor


(BOVINE)
BDBM55121
PNG
(3-HYDROXYTYRAMINE HYDROCHLORIDE | 4-(2-aminoethyl)...)
Show SMILES NCCc1ccc(O)c(O)c1
Show InChI InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2
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n/an/a 1.50E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 25: 1442-6 (1982)

More data for this
Ligand-Target Pair
Dopamine receptor


(BOVINE)
BDBM50224033
PNG
(CHEMBL540009)
Show SMILES Br.CCN(CC)C1Cc2ccc(O)c(O)c2C1
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n/an/a 2.20E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 25: 1442-6 (1982)

More data for this
Ligand-Target Pair
Dopamine receptor


(BOVINE)
BDBM50224036
PNG
(CHEMBL543991)
Show SMILES Br.CCN(CC)C1Cc2cc(O)c(O)cc2C1
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n/an/a 2.46E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 25: 1442-6 (1982)

More data for this
Ligand-Target Pair
Dopamine receptor


(BOVINE)
BDBM50224034
PNG
(CHEMBL538726)
Show SMILES Cl.COc1cc2CC(Cc2cc1OC)N(C)C
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n/an/a 4.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 25: 1442-6 (1982)

More data for this
Ligand-Target Pair
Dopamine receptor


(BOVINE)
BDBM50290378
PNG
(2-Dipropylamino-indan-5,6-diol | CHEMBL277743)
Show SMILES CCCN(CCC)C1Cc2cc(O)c(O)cc2C1
Show InChI InChI=1S/C15H23NO2/c1-3-5-16(6-4-2)13-7-11-9-14(17)15(18)10-12(11)8-13/h9-10,13,17-18H,3-8H2,1-2H3
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n/an/a 4.12E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 25: 1442-6 (1982)

More data for this
Ligand-Target Pair
Dopamine receptor


(BOVINE)
BDBM50223959
PNG
(CHEMBL538227)
Show SMILES Br.CCN(CC)C1Cc2ccc(OC)c(OC)c2C1
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n/an/a 1.66E+6n/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 25: 1442-6 (1982)

More data for this
Ligand-Target Pair
Dopamine receptor


(BOVINE)
BDBM50223900
PNG
(CHEMBL34176)
Show SMILES COc1ccc2CC(Cc2c1OC)N(C)C
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n/an/a 2.30E+6n/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 25: 1442-6 (1982)

More data for this
Ligand-Target Pair
Dopamine receptor


(BOVINE)
BDBM50223958
PNG
(CHEMBL544697)
Show SMILES Cl.CCCNC1Cc2ccc(OC)c(OC)c2C1
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n/an/a 5.10E+7n/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 25: 1442-6 (1982)

More data for this
Ligand-Target Pair
Dopamine receptor


(BOVINE)
BDBM50107876
PNG
((5,6-Dimethoxy-indan-2-yl)-dipropyl-amine | CHEMBL...)
Show SMILES CCCN(CCC)C1Cc2cc(OC)c(OC)cc2C1
Show InChI InChI=1S/C17H27NO2/c1-5-7-18(8-6-2)15-9-13-11-16(19-3)17(20-4)12-14(13)10-15/h11-12,15H,5-10H2,1-4H3
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n/an/a 1.47E+8n/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 25: 1442-6 (1982)

More data for this
Ligand-Target Pair