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Compile Data Set for Download or QSAR

Found 104 hits with Last Name = 'ackerman' and Initial = 'm'   
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 D5 receptor


(Homo sapiens (Human))
BDBM50201337
PNG
(11-methoxy-7,14-dimethyl-6,7,8,9,14,15-hexahydro-5...)
Show SMILES COc1ccc2n(C)c3Cc4ccccc4CCN(C)CCc3c2c1
Show InChI InChI=1S/C22H26N2O/c1-23-12-10-16-6-4-5-7-17(16)14-22-19(11-13-23)20-15-18(25-3)8-9-21(20)24(22)2/h4-9,15H,10-14H2,1-3H3
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0.230n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Binding affinity to human cloned dopamine D5 receptor expressed in HEK 293 cells


Bioorg Med Chem Lett 17: 1399-402 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.093
BindingDB Entry DOI: 10.7270/Q24T6J1G
More data for this
Ligand-Target Pair
Dopamine D5 receptor


(Homo sapiens (Human))
BDBM50201338
PNG
(7-methyl-6,7,8,9,14,15-hexahydro-5H-indolo[3,2-f][...)
Show SMILES CN1CCc2c(Cc3ccccc3CC1)[nH]c1ccc(O)cc21
Show InChI InChI=1S/C20H22N2O/c1-22-10-8-14-4-2-3-5-15(14)12-20-17(9-11-22)18-13-16(23)6-7-19(18)21-20/h2-7,13,21,23H,8-12H2,1H3
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0.390n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Binding affinity to human cloned dopamine D5 receptor expressed in HEK 293 cells


Bioorg Med Chem Lett 17: 1399-402 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.093
BindingDB Entry DOI: 10.7270/Q24T6J1G
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50180913
PNG
(11-methyl-11-aza-tricyclo[12.4.0.0.3,8]octadeca-1(...)
Show SMILES CN1CCc2ccccc2Cc2ccc(O)cc2CC1
Show InChI InChI=1S/C18H21NO/c1-19-10-8-14-4-2-3-5-15(14)12-16-6-7-18(20)13-17(16)9-11-19/h2-7,13,20H,8-12H2,1H3
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0.390n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH 23390 from human cloned dopamine D1 receptor expressed in HEK 293 cells


Bioorg Med Chem Lett 17: 1399-402 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.093
BindingDB Entry DOI: 10.7270/Q24T6J1G
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50201338
PNG
(7-methyl-6,7,8,9,14,15-hexahydro-5H-indolo[3,2-f][...)
Show SMILES CN1CCc2c(Cc3ccccc3CC1)[nH]c1ccc(O)cc21
Show InChI InChI=1S/C20H22N2O/c1-22-10-8-14-4-2-3-5-15(14)12-20-17(9-11-22)18-13-16(23)6-7-19(18)21-20/h2-7,13,21,23H,8-12H2,1H3
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0.560n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH 23390 from human cloned dopamine D1 receptor expressed in HEK 293 cells


Bioorg Med Chem Lett 17: 1399-402 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.093
BindingDB Entry DOI: 10.7270/Q24T6J1G
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50201335
PNG
(11-methoxy-7-methyl-6,7,8,9,14,15-hexahydro-5H-ind...)
Show SMILES COc1ccc2[nH]c3Cc4ccccc4CCN(C)CCc3c2c1
Show InChI InChI=1S/C21H24N2O/c1-23-11-9-15-5-3-4-6-16(15)13-21-18(10-12-23)19-14-17(24-2)7-8-20(19)22-21/h3-8,14,22H,9-13H2,1-2H3
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0.820n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH 23390 from human cloned dopamine D1 receptor expressed in HEK 293 cells


Bioorg Med Chem Lett 17: 1399-402 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.093
BindingDB Entry DOI: 10.7270/Q24T6J1G
More data for this
Ligand-Target Pair
Dopamine D5 receptor


(Homo sapiens (Human))
BDBM50180913
PNG
(11-methyl-11-aza-tricyclo[12.4.0.0.3,8]octadeca-1(...)
Show SMILES CN1CCc2ccccc2Cc2ccc(O)cc2CC1
Show InChI InChI=1S/C18H21NO/c1-19-10-8-14-4-2-3-5-15(14)12-16-6-7-18(20)13-17(16)9-11-19/h2-7,13,20H,8-12H2,1H3
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1.5n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Binding affinity to human cloned dopamine D5 receptor expressed in HEK 293 cells


Bioorg Med Chem Lett 17: 1399-402 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.093
BindingDB Entry DOI: 10.7270/Q24T6J1G
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50201337
PNG
(11-methoxy-7,14-dimethyl-6,7,8,9,14,15-hexahydro-5...)
Show SMILES COc1ccc2n(C)c3Cc4ccccc4CCN(C)CCc3c2c1
Show InChI InChI=1S/C22H26N2O/c1-23-12-10-16-6-4-5-7-17(16)14-22-19(11-13-23)20-15-18(25-3)8-9-21(20)24(22)2/h4-9,15H,10-14H2,1-3H3
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1.70n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human cloned dopamine D2L receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 1399-402 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.093
BindingDB Entry DOI: 10.7270/Q24T6J1G
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50088341
PNG
(11-methyl-11,21-diazatetracyclo[12.7.0.0^{3,8}.0^{...)
Show SMILES CN1CCc2c(Cc3ccccc3CC1)[nH]c1ccccc21
Show InChI InChI=1S/C20H22N2/c1-22-12-10-15-6-2-3-7-16(15)14-20-18(11-13-22)17-8-4-5-9-19(17)21-20/h2-9,21H,10-14H2,1H3
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1.90n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH 23390 from human cloned dopamine D1 receptor expressed in HEK 293 cells


Bioorg Med Chem Lett 17: 1399-402 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.093
BindingDB Entry DOI: 10.7270/Q24T6J1G
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50201337
PNG
(11-methoxy-7,14-dimethyl-6,7,8,9,14,15-hexahydro-5...)
Show SMILES COc1ccc2n(C)c3Cc4ccccc4CCN(C)CCc3c2c1
Show InChI InChI=1S/C22H26N2O/c1-23-12-10-16-6-4-5-7-17(16)14-22-19(11-13-23)20-15-18(25-3)8-9-21(20)24(22)2/h4-9,15H,10-14H2,1-3H3
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2n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH 23390 from human cloned dopamine D1 receptor expressed in HEK 293 cells


Bioorg Med Chem Lett 17: 1399-402 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.093
BindingDB Entry DOI: 10.7270/Q24T6J1G
More data for this
Ligand-Target Pair
Dopamine D5 receptor


(Homo sapiens (Human))
BDBM50201335
PNG
(11-methoxy-7-methyl-6,7,8,9,14,15-hexahydro-5H-ind...)
Show SMILES COc1ccc2[nH]c3Cc4ccccc4CCN(C)CCc3c2c1
Show InChI InChI=1S/C21H24N2O/c1-23-11-9-15-5-3-4-6-16(15)13-21-18(10-12-23)19-14-17(24-2)7-8-20(19)22-21/h3-8,14,22H,9-13H2,1-2H3
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3.60n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Binding affinity to human cloned dopamine D5 receptor expressed in HEK 293 cells


Bioorg Med Chem Lett 17: 1399-402 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.093
BindingDB Entry DOI: 10.7270/Q24T6J1G
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50201336
PNG
(7-methyl-6,7,8,9,14,15-hexahydro-5H-indolo[3,2-f][...)
Show SMILES CN1CCc2c(Cc3ccc(O)cc3CC1)[nH]c1ccccc21
Show InChI InChI=1S/C20H22N2O/c1-22-10-8-15-12-16(23)7-6-14(15)13-20-18(9-11-22)17-4-2-3-5-19(17)21-20/h2-7,12,21,23H,8-11,13H2,1H3
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3.70n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH 23390 from human cloned dopamine D1 receptor expressed in HEK 293 cells


Bioorg Med Chem Lett 17: 1399-402 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.093
BindingDB Entry DOI: 10.7270/Q24T6J1G
More data for this
Ligand-Target Pair
Dopamine receptor


(Homo sapiens (Human))
BDBM50201337
PNG
(11-methoxy-7,14-dimethyl-6,7,8,9,14,15-hexahydro-5...)
Show SMILES COc1ccc2n(C)c3Cc4ccccc4CCN(C)CCc3c2c1
Show InChI InChI=1S/C22H26N2O/c1-23-12-10-16-6-4-5-7-17(16)14-22-19(11-13-23)20-15-18(25-3)8-9-21(20)24(22)2/h4-9,15H,10-14H2,1-3H3
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3.78n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Binding affinity to human cloned dopamine D3 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 1399-402 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.093
BindingDB Entry DOI: 10.7270/Q24T6J1G
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50180925
PNG
(11-methyl-11-aza-tricyclo[12.4.0.03,8]octadeca-1(1...)
Show SMILES CN1CCc2ccccc2Cc2ccccc2CC1
Show InChI InChI=1S/C18H21N/c1-19-12-10-15-6-2-4-8-17(15)14-18-9-5-3-7-16(18)11-13-19/h2-9H,10-14H2,1H3
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4.5n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH 23390 from human cloned dopamine D1 receptor expressed in HEK 293 cells


Bioorg Med Chem Lett 17: 1399-402 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.093
BindingDB Entry DOI: 10.7270/Q24T6J1G
More data for this
Ligand-Target Pair
Dopamine D5 receptor


(Homo sapiens (Human))
BDBM50201336
PNG
(7-methyl-6,7,8,9,14,15-hexahydro-5H-indolo[3,2-f][...)
Show SMILES CN1CCc2c(Cc3ccc(O)cc3CC1)[nH]c1ccccc21
Show InChI InChI=1S/C20H22N2O/c1-22-10-8-15-12-16(23)7-6-14(15)13-20-18(9-11-22)17-4-2-3-5-19(17)21-20/h2-7,12,21,23H,8-11,13H2,1H3
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5.40n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Binding affinity to human cloned dopamine D5 receptor expressed in HEK 293 cells


Bioorg Med Chem Lett 17: 1399-402 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.093
BindingDB Entry DOI: 10.7270/Q24T6J1G
More data for this
Ligand-Target Pair
Dopamine D5 receptor


(Homo sapiens (Human))
BDBM50088341
PNG
(11-methyl-11,21-diazatetracyclo[12.7.0.0^{3,8}.0^{...)
Show SMILES CN1CCc2c(Cc3ccccc3CC1)[nH]c1ccccc21
Show InChI InChI=1S/C20H22N2/c1-22-12-10-15-6-2-3-7-16(15)14-20-18(11-13-22)17-8-4-5-9-19(17)21-20/h2-9,21H,10-14H2,1H3
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7.5n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Binding affinity to human cloned dopamine D5 receptor expressed in HEK 293 cells


Bioorg Med Chem Lett 17: 1399-402 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.093
BindingDB Entry DOI: 10.7270/Q24T6J1G
More data for this
Ligand-Target Pair
Dopamine D5 receptor


(Homo sapiens (Human))
BDBM50180925
PNG
(11-methyl-11-aza-tricyclo[12.4.0.03,8]octadeca-1(1...)
Show SMILES CN1CCc2ccccc2Cc2ccccc2CC1
Show InChI InChI=1S/C18H21N/c1-19-12-10-15-6-2-4-8-17(15)14-18-9-5-3-7-16(18)11-13-19/h2-9H,10-14H2,1H3
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11.2n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Binding affinity to human cloned dopamine D5 receptor expressed in HEK 293 cells


Bioorg Med Chem Lett 17: 1399-402 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.093
BindingDB Entry DOI: 10.7270/Q24T6J1G
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50201335
PNG
(11-methoxy-7-methyl-6,7,8,9,14,15-hexahydro-5H-ind...)
Show SMILES COc1ccc2[nH]c3Cc4ccccc4CCN(C)CCc3c2c1
Show InChI InChI=1S/C21H24N2O/c1-23-11-9-15-5-3-4-6-16(15)13-21-18(10-12-23)19-14-17(24-2)7-8-20(19)22-21/h3-8,14,22H,9-13H2,1-2H3
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11.9n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human cloned dopamine D2L receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 1399-402 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.093
BindingDB Entry DOI: 10.7270/Q24T6J1G
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50184429
PNG
(16-methoxy-11-methyl-11-aza-tricyclo[12.4.0.03,8]o...)
Show SMILES COc1ccc2Cc3ccccc3CCN(C)CCc2c1
Show InChI InChI=1S/C19H23NO/c1-20-11-9-15-5-3-4-6-16(15)13-17-7-8-19(21-2)14-18(17)10-12-20/h3-8,14H,9-13H2,1-2H3
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13n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human cloned dopamine D2L receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 1399-402 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.093
BindingDB Entry DOI: 10.7270/Q24T6J1G
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50180913
PNG
(11-methyl-11-aza-tricyclo[12.4.0.0.3,8]octadeca-1(...)
Show SMILES CN1CCc2ccccc2Cc2ccc(O)cc2CC1
Show InChI InChI=1S/C18H21NO/c1-19-10-8-14-4-2-3-5-15(14)12-16-6-7-18(20)13-17(16)9-11-19/h2-7,13,20H,8-12H2,1H3
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17.5n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human cloned dopamine D2L receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 1399-402 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.093
BindingDB Entry DOI: 10.7270/Q24T6J1G
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50201334
PNG
(3-methoxy-7-methyl-6,7,8,9,14,15-hexahydro-5H-indo...)
Show SMILES COc1ccc2Cc3[nH]c4ccccc4c3CCN(C)CCc2c1
Show InChI InChI=1S/C21H24N2O/c1-23-11-9-16-13-17(24-2)8-7-15(16)14-21-19(10-12-23)18-5-3-4-6-20(18)22-21/h3-8,13,22H,9-12,14H2,1-2H3
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19n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH 23390 from human cloned dopamine D1 receptor expressed in HEK 293 cells


Bioorg Med Chem Lett 17: 1399-402 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.093
BindingDB Entry DOI: 10.7270/Q24T6J1G
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50201334
PNG
(3-methoxy-7-methyl-6,7,8,9,14,15-hexahydro-5H-indo...)
Show SMILES COc1ccc2Cc3[nH]c4ccccc4c3CCN(C)CCc2c1
Show InChI InChI=1S/C21H24N2O/c1-23-11-9-16-13-17(24-2)8-7-15(16)14-21-19(10-12-23)18-5-3-4-6-20(18)22-21/h3-8,13,22H,9-12,14H2,1-2H3
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22.8n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human cloned dopamine D2L receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 1399-402 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.093
BindingDB Entry DOI: 10.7270/Q24T6J1G
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50184429
PNG
(16-methoxy-11-methyl-11-aza-tricyclo[12.4.0.03,8]o...)
Show SMILES COc1ccc2Cc3ccccc3CCN(C)CCc2c1
Show InChI InChI=1S/C19H23NO/c1-20-11-9-15-5-3-4-6-16(15)13-17-7-8-19(21-2)14-18(17)10-12-20/h3-8,14H,9-13H2,1-2H3
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28.5n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH 23390 from human cloned dopamine D1 receptor expressed in HEK 293 cells


Bioorg Med Chem Lett 17: 1399-402 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.093
BindingDB Entry DOI: 10.7270/Q24T6J1G
More data for this
Ligand-Target Pair
Dopamine D5 receptor


(Homo sapiens (Human))
BDBM50201334
PNG
(3-methoxy-7-methyl-6,7,8,9,14,15-hexahydro-5H-indo...)
Show SMILES COc1ccc2Cc3[nH]c4ccccc4c3CCN(C)CCc2c1
Show InChI InChI=1S/C21H24N2O/c1-23-11-9-16-13-17(24-2)8-7-15(16)14-21-19(10-12-23)18-5-3-4-6-20(18)22-21/h3-8,13,22H,9-12,14H2,1-2H3
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31.5n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Binding affinity to human cloned dopamine D5 receptor expressed in HEK 293 cells


Bioorg Med Chem Lett 17: 1399-402 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.093
BindingDB Entry DOI: 10.7270/Q24T6J1G
More data for this
Ligand-Target Pair
Dopamine D5 receptor


(Homo sapiens (Human))
BDBM50184429
PNG
(16-methoxy-11-methyl-11-aza-tricyclo[12.4.0.03,8]o...)
Show SMILES COc1ccc2Cc3ccccc3CCN(C)CCc2c1
Show InChI InChI=1S/C19H23NO/c1-20-11-9-15-5-3-4-6-16(15)13-17-7-8-19(21-2)14-18(17)10-12-20/h3-8,14H,9-13H2,1-2H3
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38.3n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Binding affinity to human cloned dopamine D5 receptor expressed in HEK 293 cells


Bioorg Med Chem Lett 17: 1399-402 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.093
BindingDB Entry DOI: 10.7270/Q24T6J1G
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50201338
PNG
(7-methyl-6,7,8,9,14,15-hexahydro-5H-indolo[3,2-f][...)
Show SMILES CN1CCc2c(Cc3ccccc3CC1)[nH]c1ccc(O)cc21
Show InChI InChI=1S/C20H22N2O/c1-22-10-8-14-4-2-3-5-15(14)12-20-17(9-11-22)18-13-16(23)6-7-19(18)21-20/h2-7,13,21,23H,8-12H2,1H3
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38.4n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human cloned dopamine D2L receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 1399-402 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.093
BindingDB Entry DOI: 10.7270/Q24T6J1G
More data for this
Ligand-Target Pair
Dopamine receptor


(Homo sapiens (Human))
BDBM50088341
PNG
(11-methyl-11,21-diazatetracyclo[12.7.0.0^{3,8}.0^{...)
Show SMILES CN1CCc2c(Cc3ccccc3CC1)[nH]c1ccccc21
Show InChI InChI=1S/C20H22N2/c1-22-12-10-15-6-2-3-7-16(15)14-20-18(11-13-22)17-8-4-5-9-19(17)21-20/h2-9,21H,10-14H2,1H3
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40.3n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Binding affinity to human cloned dopamine D3 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 1399-402 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.093
BindingDB Entry DOI: 10.7270/Q24T6J1G
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50088341
PNG
(11-methyl-11,21-diazatetracyclo[12.7.0.0^{3,8}.0^{...)
Show SMILES CN1CCc2c(Cc3ccccc3CC1)[nH]c1ccccc21
Show InChI InChI=1S/C20H22N2/c1-22-12-10-15-6-2-3-7-16(15)14-20-18(11-13-22)17-8-4-5-9-19(17)21-20/h2-9,21H,10-14H2,1H3
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44.5n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human cloned dopamine D2L receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 1399-402 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.093
BindingDB Entry DOI: 10.7270/Q24T6J1G
More data for this
Ligand-Target Pair
Dopamine receptor


(Homo sapiens (Human))
BDBM50180913
PNG
(11-methyl-11-aza-tricyclo[12.4.0.0.3,8]octadeca-1(...)
Show SMILES CN1CCc2ccccc2Cc2ccc(O)cc2CC1
Show InChI InChI=1S/C18H21NO/c1-19-10-8-14-4-2-3-5-15(14)12-16-6-7-18(20)13-17(16)9-11-19/h2-7,13,20H,8-12H2,1H3
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47n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Binding affinity to human cloned dopamine D3 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 1399-402 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.093
BindingDB Entry DOI: 10.7270/Q24T6J1G
More data for this
Ligand-Target Pair
Dopamine receptor


(Homo sapiens (Human))
BDBM50180925
PNG
(11-methyl-11-aza-tricyclo[12.4.0.03,8]octadeca-1(1...)
Show SMILES CN1CCc2ccccc2Cc2ccccc2CC1
Show InChI InChI=1S/C18H21N/c1-19-12-10-15-6-2-4-8-17(15)14-18-9-5-3-7-16(18)11-13-19/h2-9H,10-14H2,1H3
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52.5n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Binding affinity to human cloned dopamine D3 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 1399-402 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.093
BindingDB Entry DOI: 10.7270/Q24T6J1G
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50180925
PNG
(11-methyl-11-aza-tricyclo[12.4.0.03,8]octadeca-1(1...)
Show SMILES CN1CCc2ccccc2Cc2ccccc2CC1
Show InChI InChI=1S/C18H21N/c1-19-12-10-15-6-2-4-8-17(15)14-18-9-5-3-7-16(18)11-13-19/h2-9H,10-14H2,1H3
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56.5n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human cloned dopamine D2L receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 1399-402 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.093
BindingDB Entry DOI: 10.7270/Q24T6J1G
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50201336
PNG
(7-methyl-6,7,8,9,14,15-hexahydro-5H-indolo[3,2-f][...)
Show SMILES CN1CCc2c(Cc3ccc(O)cc3CC1)[nH]c1ccccc21
Show InChI InChI=1S/C20H22N2O/c1-22-10-8-15-12-16(23)7-6-14(15)13-20-18(9-11-22)17-4-2-3-5-19(17)21-20/h2-7,12,21,23H,8-11,13H2,1H3
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74.7n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human cloned dopamine D2L receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 1399-402 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.093
BindingDB Entry DOI: 10.7270/Q24T6J1G
More data for this
Ligand-Target Pair
Dopamine receptor


(Homo sapiens (Human))
BDBM50184429
PNG
(16-methoxy-11-methyl-11-aza-tricyclo[12.4.0.03,8]o...)
Show SMILES COc1ccc2Cc3ccccc3CCN(C)CCc2c1
Show InChI InChI=1S/C19H23NO/c1-20-11-9-15-5-3-4-6-16(15)13-17-7-8-19(21-2)14-18(17)10-12-20/h3-8,14H,9-13H2,1-2H3
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75.7n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Binding affinity to human cloned dopamine D3 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 1399-402 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.093
BindingDB Entry DOI: 10.7270/Q24T6J1G
More data for this
Ligand-Target Pair
Dopamine receptor


(Homo sapiens (Human))
BDBM50201335
PNG
(11-methoxy-7-methyl-6,7,8,9,14,15-hexahydro-5H-ind...)
Show SMILES COc1ccc2[nH]c3Cc4ccccc4CCN(C)CCc3c2c1
Show InChI InChI=1S/C21H24N2O/c1-23-11-9-15-5-3-4-6-16(15)13-21-18(10-12-23)19-14-17(24-2)7-8-20(19)22-21/h3-8,14,22H,9-13H2,1-2H3
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475n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Binding affinity to human cloned dopamine D3 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 1399-402 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.093
BindingDB Entry DOI: 10.7270/Q24T6J1G
More data for this
Ligand-Target Pair
Dopamine receptor


(Homo sapiens (Human))
BDBM50201338
PNG
(7-methyl-6,7,8,9,14,15-hexahydro-5H-indolo[3,2-f][...)
Show SMILES CN1CCc2c(Cc3ccccc3CC1)[nH]c1ccc(O)cc21
Show InChI InChI=1S/C20H22N2O/c1-22-10-8-14-4-2-3-5-15(14)12-20-17(9-11-22)18-13-16(23)6-7-19(18)21-20/h2-7,13,21,23H,8-12H2,1H3
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944n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Binding affinity to human cloned dopamine D3 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 1399-402 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.093
BindingDB Entry DOI: 10.7270/Q24T6J1G
More data for this
Ligand-Target Pair
Dopamine receptor


(Homo sapiens (Human))
BDBM50201334
PNG
(3-methoxy-7-methyl-6,7,8,9,14,15-hexahydro-5H-indo...)
Show SMILES COc1ccc2Cc3[nH]c4ccccc4c3CCN(C)CCc2c1
Show InChI InChI=1S/C21H24N2O/c1-23-11-9-16-13-17(24-2)8-7-15(16)14-21-19(10-12-23)18-5-3-4-6-20(18)22-21/h3-8,13,22H,9-12,14H2,1-2H3
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1.14E+3n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Binding affinity to human cloned dopamine D3 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 1399-402 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.093
BindingDB Entry DOI: 10.7270/Q24T6J1G
More data for this
Ligand-Target Pair
Dopamine receptor


(Homo sapiens (Human))
BDBM50201336
PNG
(7-methyl-6,7,8,9,14,15-hexahydro-5H-indolo[3,2-f][...)
Show SMILES CN1CCc2c(Cc3ccc(O)cc3CC1)[nH]c1ccccc21
Show InChI InChI=1S/C20H22N2O/c1-22-10-8-15-12-16(23)7-6-14(15)13-20-18(9-11-22)17-4-2-3-5-19(17)21-20/h2-7,12,21,23H,8-11,13H2,1H3
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2.07E+3n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Binding affinity to human cloned dopamine D3 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 1399-402 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.093
BindingDB Entry DOI: 10.7270/Q24T6J1G
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50021783
PNG
(1-(3-Mercapto-propionyl)-2,3-dihydro-1H-indole-2-c...)
Show SMILES OC(=O)C1Cc2ccccc2N1C(=O)CCS
Show InChI InChI=1S/C12H13NO3S/c14-11(5-6-17)13-9-4-2-1-3-8(9)7-10(13)12(15)16/h1-4,10,17H,5-7H2,(H,15,16)
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n/an/a 2.60n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of Angiotensin I converting enzyme


J Med Chem 26: 1267-77 (1983)


Article DOI: 10.1021/jm00363a011
BindingDB Entry DOI: 10.7270/Q29024B9
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50021790
PNG
((S,S)1-(3-Mercapto-2-methyl-propionyl)-2,3-dihydro...)
Show SMILES CC(CS)C(=O)N1C(Cc2ccccc12)C(O)=O
Show InChI InChI=1S/C13H15NO3S/c1-8(7-18)12(15)14-10-5-3-2-4-9(10)6-11(14)13(16)17/h2-5,8,11,18H,6-7H2,1H3,(H,16,17)
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n/an/a 2.60n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of dihydrofolate reductase in Escherichia coli


J Med Chem 26: 1267-77 (1983)


Article DOI: 10.1021/jm00363a011
BindingDB Entry DOI: 10.7270/Q29024B9
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50367173
PNG
(CHEMBL1744333)
Show SMILES CC(CS)C(=O)N(C(C)C(O)=O)c1ccccc1
Show InChI InChI=1S/C13H17NO3S/c1-9(8-18)12(15)14(10(2)13(16)17)11-6-4-3-5-7-11/h3-7,9-10,18H,8H2,1-2H3,(H,16,17)
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n/an/a 4.30n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of Angiotensin I converting enzyme


J Med Chem 26: 1267-77 (1983)


Article DOI: 10.1021/jm00363a011
BindingDB Entry DOI: 10.7270/Q29024B9
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50027697
PNG
(6-Fluoro-1-(3-mercapto-propionyl)-1,2,3,4-tetrahyd...)
Show SMILES OC(=O)C1CCc2cc(F)ccc2N1C(=O)CCS
Show InChI InChI=1S/C13H14FNO3S/c14-9-2-4-10-8(7-9)1-3-11(13(17)18)15(10)12(16)5-6-19/h2,4,7,11,19H,1,3,5-6H2,(H,17,18)
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n/an/a 4.70n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of Angiotensin I converting enzyme


J Med Chem 26: 1267-77 (1983)


Article DOI: 10.1021/jm00363a011
BindingDB Entry DOI: 10.7270/Q29024B9
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50367155
PNG
(CHEMBL1744329)
Show SMILES OC(=O)C1CCc2cc(Cl)ccc2N1C(=O)CCS
Show InChI InChI=1S/C13H14ClNO3S/c14-9-2-4-10-8(7-9)1-3-11(13(17)18)15(10)12(16)5-6-19/h2,4,7,11,19H,1,3,5-6H2,(H,17,18)
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n/an/a 5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of Angiotensin I converting enzyme


J Med Chem 26: 1267-77 (1983)


Article DOI: 10.1021/jm00363a011
BindingDB Entry DOI: 10.7270/Q29024B9
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50367149
PNG
(CHEMBL1169540)
Show SMILES COc1ccc(cc1OC)N(CC(O)=O)C(=O)[C@H](C)CS
Show InChI InChI=1S/C14H19NO5S/c1-9(8-21)14(18)15(7-13(16)17)10-4-5-11(19-2)12(6-10)20-3/h4-6,9,21H,7-8H2,1-3H3,(H,16,17)/t9-/m1/s1
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n/an/a 5.5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of Angiotensin I converting enzyme


J Med Chem 26: 1267-77 (1983)


Article DOI: 10.1021/jm00363a011
BindingDB Entry DOI: 10.7270/Q29024B9
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50367146
PNG
(CHEMBL1744332)
Show SMILES COc1ccc(cc1OC)N(C(C)C(O)=O)C(=O)C(C)CS
Show InChI InChI=1S/C15H21NO5S/c1-9(8-22)14(17)16(10(2)15(18)19)11-5-6-12(20-3)13(7-11)21-4/h5-7,9-10,22H,8H2,1-4H3,(H,18,19)
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n/an/a 6.70n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of Angiotensin I converting enzyme


J Med Chem 26: 1267-77 (1983)


Article DOI: 10.1021/jm00363a011
BindingDB Entry DOI: 10.7270/Q29024B9
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50020766
PNG
((R+S)-[Cyclopentyl-(3-mercapto-2-methyl-propionyl)...)
Show SMILES CC(CS)C(=O)N(CC(O)=O)C1CCCC1
Show InChI InChI=1S/C11H19NO3S/c1-8(7-16)11(15)12(6-10(13)14)9-4-2-3-5-9/h8-9,16H,2-7H2,1H3,(H,13,14)
MMDB

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n/an/a 7n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of Angiotensin I converting enzyme


J Med Chem 26: 1267-77 (1983)


Article DOI: 10.1021/jm00363a011
BindingDB Entry DOI: 10.7270/Q29024B9
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50020798
PNG
(CHEMBL1788148 | CHEMBL23841 | [Cycloheptyl-(3-merc...)
Show SMILES CC(CS)C(=O)N(CC(O)=O)C1CCCCCC1
Show InChI InChI=1S/C13H23NO3S/c1-10(9-18)13(17)14(8-12(15)16)11-6-4-2-3-5-7-11/h10-11,18H,2-9H2,1H3,(H,15,16)
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n/an/a 7.10n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of Angiotensin I converting enzyme


J Med Chem 26: 1267-77 (1983)


Article DOI: 10.1021/jm00363a011
BindingDB Entry DOI: 10.7270/Q29024B9
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50027736
PNG
(CHEMBL22654 | [Benzo[1,3]dioxol-5-yl-(3-mercapto-2...)
Show SMILES CC(CS)C(=O)N(CC(O)=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C13H15NO5S/c1-8(6-20)13(17)14(5-12(15)16)9-2-3-10-11(4-9)19-7-18-10/h2-4,8,20H,5-7H2,1H3,(H,15,16)
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n/an/a 7.20n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of Angiotensin I converting enzyme


J Med Chem 26: 1267-77 (1983)


Article DOI: 10.1021/jm00363a011
BindingDB Entry DOI: 10.7270/Q29024B9
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50020768
PNG
(CHEMBL1788152 | CHEMBL23518 | [Cyclohexyl-(3-merca...)
Show SMILES CC(CS)C(=O)N(CC(O)=O)C1CCCCC1
Show InChI InChI=1S/C12H21NO3S/c1-9(8-17)12(16)13(7-11(14)15)10-5-3-2-4-6-10/h9-10,17H,2-8H2,1H3,(H,14,15)
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n/an/a 7.5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of Angiotensin I converting enzyme


J Med Chem 26: 1267-77 (1983)


Article DOI: 10.1021/jm00363a011
BindingDB Entry DOI: 10.7270/Q29024B9
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50367157
PNG
(CHEMBL1744325)
Show SMILES CC(CS)C(=O)N(CC(O)=O)C1CSCCSC1
Show InChI InChI=1S/C11H19NO3S3/c1-8(5-16)11(15)12(4-10(13)14)9-6-17-2-3-18-7-9/h8-9,16H,2-7H2,1H3,(H,13,14)
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n/an/a 7.60n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of Angiotensin I converting enzyme


J Med Chem 26: 1267-77 (1983)


Article DOI: 10.1021/jm00363a011
BindingDB Entry DOI: 10.7270/Q29024B9
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50367169
PNG
(CHEMBL1744334)
Show SMILES COc1ccc(cc1)N(CC(O)=O)C(=O)C(C)CS
Show InChI InChI=1S/C13H17NO4S/c1-9(8-19)13(17)14(7-12(15)16)10-3-5-11(18-2)6-4-10/h3-6,9,19H,7-8H2,1-2H3,(H,15,16)
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PubMed
n/an/a 7.70n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of Angiotensin I converting enzyme


J Med Chem 26: 1267-77 (1983)


Article DOI: 10.1021/jm00363a011
BindingDB Entry DOI: 10.7270/Q29024B9
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50021783
PNG
(1-(3-Mercapto-propionyl)-2,3-dihydro-1H-indole-2-c...)
Show SMILES OC(=O)C1Cc2ccccc2N1C(=O)CCS
Show InChI InChI=1S/C12H13NO3S/c14-11(5-6-17)13-9-4-2-1-3-8(9)7-10(13)12(15)16/h1-4,10,17H,5-7H2,(H,15,16)
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PubMed
n/an/a 8n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of dihydrofolate reductase in Lactobacillus casei


J Med Chem 26: 1267-77 (1983)


Article DOI: 10.1021/jm00363a011
BindingDB Entry DOI: 10.7270/Q29024B9
More data for this
Ligand-Target Pair
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