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Compile Data Set for Download or QSAR

Found 35 hits with Last Name = 'lipton' and Initial = 'mf'   
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
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50056445
PNG
(1,1-diethyl-3-[(8alpha)-6-methyl-9,10-didehydroerg...)
Show SMILES CCN(CC)C(=O)N[C@@H]1CN(C)[C@@H]2Cc3c[nH]c4cccc(C2=C1)c34
Show InChI InChI=1S/C20H26N4O/c1-4-24(5-2)20(25)22-14-10-16-15-7-6-8-17-19(15)13(11-21-17)9-18(16)23(3)12-14/h6-8,10-11,14,18,21H,4-5,9,12H2,1-3H3,(H,22,25)/t14-,18+/m0/s1
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0.400n/an/an/an/an/an/an/an/a



Pharmacia & Upjohn

Curated by ChEMBL


Assay Description
Binding affinity towards Serotonin 5-hydroxytryptamine 1A receptor by displacement of [3H]-(+)-8-OH-DPAT.


J Med Chem 40: 639-46 (1997)


Article DOI: 10.1021/jm960360q
BindingDB Entry DOI: 10.7270/Q29P30R9
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50056445
PNG
(1,1-diethyl-3-[(8alpha)-6-methyl-9,10-didehydroerg...)
Show SMILES CCN(CC)C(=O)N[C@@H]1CN(C)[C@@H]2Cc3c[nH]c4cccc(C2=C1)c34
Show InChI InChI=1S/C20H26N4O/c1-4-24(5-2)20(25)22-14-10-16-15-7-6-8-17-19(15)13(11-21-17)9-18(16)23(3)12-14/h6-8,10-11,14,18,21H,4-5,9,12H2,1-3H3,(H,22,25)/t14-,18+/m0/s1
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0.5n/an/an/an/an/an/an/an/a



Pharmacia & Upjohn

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine receptor D2 by displacement of [3H]-U-86,170.


J Med Chem 40: 639-46 (1997)


Article DOI: 10.1021/jm960360q
BindingDB Entry DOI: 10.7270/Q29P30R9
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50056445
PNG
(1,1-diethyl-3-[(8alpha)-6-methyl-9,10-didehydroerg...)
Show SMILES CCN(CC)C(=O)N[C@@H]1CN(C)[C@@H]2Cc3c[nH]c4cccc(C2=C1)c34
Show InChI InChI=1S/C20H26N4O/c1-4-24(5-2)20(25)22-14-10-16-15-7-6-8-17-19(15)13(11-21-17)9-18(16)23(3)12-14/h6-8,10-11,14,18,21H,4-5,9,12H2,1-3H3,(H,22,25)/t14-,18+/m0/s1
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1.70n/an/an/an/an/an/an/an/a



Pharmacia & Upjohn

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine receptor D3 by displacement of [3H]-(+)-7-OH-DPAT.


J Med Chem 40: 639-46 (1997)


Article DOI: 10.1021/jm960360q
BindingDB Entry DOI: 10.7270/Q29P30R9
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50056446
PNG
((R)-5-Propylamino-5,6-dihydro-1H,4H-imidazo[4,5,1-...)
Show SMILES CCCN[C@@H]1Cc2cccc3[nH]c(=O)n(C1)c23
Show InChI InChI=1S/C13H17N3O/c1-2-6-14-10-7-9-4-3-5-11-12(9)16(8-10)13(17)15-11/h3-5,10,14H,2,6-8H2,1H3,(H,15,17)/t10-/m1/s1
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2.5n/an/an/an/an/an/an/an/a



Pharmacia & Upjohn

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine receptor D2 by displacement of [3H]-U-86,170.


J Med Chem 40: 639-46 (1997)


Article DOI: 10.1021/jm960360q
BindingDB Entry DOI: 10.7270/Q29P30R9
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50017543
PNG
((6aR,9R,10aR)-9-Methylsulfanylmethyl-7-propyl-4,6,...)
Show SMILES CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3cccc2c13
Show InChI InChI=1S/C19H26N2S/c1-3-7-21-11-13(12-22-2)8-16-15-5-4-6-17-19(15)14(10-20-17)9-18(16)21/h4-6,10,13,16,18,20H,3,7-9,11-12H2,1-2H3/t13-,16-,18-/m1/s1
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4n/an/an/an/an/an/an/an/a



Pharmacia & Upjohn

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine receptor D2 by displacement of [3H]-U-86,170.


J Med Chem 40: 639-46 (1997)


Article DOI: 10.1021/jm960360q
BindingDB Entry DOI: 10.7270/Q29P30R9
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50017543
PNG
((6aR,9R,10aR)-9-Methylsulfanylmethyl-7-propyl-4,6,...)
Show SMILES CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3cccc2c13
Show InChI InChI=1S/C19H26N2S/c1-3-7-21-11-13(12-22-2)8-16-15-5-4-6-17-19(15)14(10-20-17)9-18(16)21/h4-6,10,13,16,18,20H,3,7-9,11-12H2,1-2H3/t13-,16-,18-/m1/s1
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4n/an/an/an/an/an/an/an/a



Pharmacia & Upjohn

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine receptor D3 by displacement of [3H]-(+)-7-OH-DPAT.


J Med Chem 40: 639-46 (1997)


Article DOI: 10.1021/jm960360q
BindingDB Entry DOI: 10.7270/Q29P30R9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50017543
PNG
((6aR,9R,10aR)-9-Methylsulfanylmethyl-7-propyl-4,6,...)
Show SMILES CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3cccc2c13
Show InChI InChI=1S/C19H26N2S/c1-3-7-21-11-13(12-22-2)8-16-15-5-4-6-17-19(15)14(10-20-17)9-18(16)21/h4-6,10,13,16,18,20H,3,7-9,11-12H2,1-2H3/t13-,16-,18-/m1/s1
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4n/an/an/an/an/an/an/an/a



Pharmacia & Upjohn

Curated by ChEMBL


Assay Description
Binding affinity towards Serotonin 5-hydroxytryptamine 1A receptor by displacement of [3H]-(+)-8-OH-DPAT.


J Med Chem 40: 639-46 (1997)


Article DOI: 10.1021/jm960360q
BindingDB Entry DOI: 10.7270/Q29P30R9
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50020680
PNG
(4-[2-(dipropylamino)ethyl]-1,3-dihydro-2H-indol-2-...)
Show SMILES CCCN(CCC)CCc1cccc2NC(=O)Cc12
Show InChI InChI=1S/C16H24N2O/c1-3-9-18(10-4-2)11-8-13-6-5-7-15-14(13)12-16(19)17-15/h5-7H,3-4,8-12H2,1-2H3,(H,17,19)
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7.20n/an/an/an/an/an/an/an/a



Pharmacia & Upjohn

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine receptor D2 by displacement of [3H]-U-86,170.


J Med Chem 40: 639-46 (1997)


Article DOI: 10.1021/jm960360q
BindingDB Entry DOI: 10.7270/Q29P30R9
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50056443
PNG
((R)-5-Methylamino-5,6-dihydro-1H,4H-imidazo[4,5,1-...)
Show SMILES CN[C@@H]1Cc2cccc3[nH]c(=O)n(C1)c23
Show InChI InChI=1S/C11H13N3O/c1-12-8-5-7-3-2-4-9-10(7)14(6-8)11(15)13-9/h2-4,8,12H,5-6H2,1H3,(H,13,15)/t8-/m1/s1
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9n/an/an/an/an/an/an/an/a



Pharmacia & Upjohn

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine receptor D2 by displacement of [3H]-U-86,170.


J Med Chem 40: 639-46 (1997)


Article DOI: 10.1021/jm960360q
BindingDB Entry DOI: 10.7270/Q29P30R9
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM81993
PNG
(BROMOCRIPTINE | Bromocriptine+ (GTP+) | Bromocript...)
Show SMILES CC(C)C[C@@H]1N2C(=O)[C@](NC(=O)[C@H]3CN(C)[C@@H]4Cc5c(Br)[nH]c6cccc(C4=C3)c56)(O[C@@]2(O)[C@@H]2CCCN2C1=O)C(C)C
Show InChI InChI=1S/C32H40BrN5O5/c1-16(2)12-24-29(40)37-11-7-10-25(37)32(42)38(24)30(41)31(43-32,17(3)4)35-28(39)18-13-20-19-8-6-9-22-26(19)21(27(33)34-22)14-23(20)36(5)15-18/h6,8-9,13,16-18,23-25,34,42H,7,10-12,14-15H2,1-5H3,(H,35,39)/t18-,23-,24+,25+,31-,32+/m1/s1
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10n/an/an/an/an/an/an/an/a



Pharmacia & Upjohn

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine receptor D2 by displacement of [3H]-U-86,170.


J Med Chem 40: 639-46 (1997)


Article DOI: 10.1021/jm960360q
BindingDB Entry DOI: 10.7270/Q29P30R9
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50056444
PNG
((R)-5-Dimethylamino-5,6-dihydro-1H,4H-imidazo[4,5,...)
Show SMILES CN(C)[C@@H]1Cc2cccc3[nH]c(=O)n(C1)c23
Show InChI InChI=1S/C12H15N3O/c1-14(2)9-6-8-4-3-5-10-11(8)15(7-9)12(16)13-10/h3-5,9H,6-7H2,1-2H3,(H,13,16)/t9-/m1/s1
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12n/an/an/an/an/an/an/an/a



Pharmacia & Upjohn

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine receptor D2 by displacement of [3H]-U-86,170.


J Med Chem 40: 639-46 (1997)


Article DOI: 10.1021/jm960360q
BindingDB Entry DOI: 10.7270/Q29P30R9
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50020680
PNG
(4-[2-(dipropylamino)ethyl]-1,3-dihydro-2H-indol-2-...)
Show SMILES CCCN(CCC)CCc1cccc2NC(=O)Cc12
Show InChI InChI=1S/C16H24N2O/c1-3-9-18(10-4-2)11-8-13-6-5-7-15-14(13)12-16(19)17-15/h5-7H,3-4,8-12H2,1-2H3,(H,17,19)
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19n/an/an/an/an/an/an/an/a



Pharmacia & Upjohn

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine receptor D3 by displacement of [3H]-(+)-7-OH-DPAT.


J Med Chem 40: 639-46 (1997)


Article DOI: 10.1021/jm960360q
BindingDB Entry DOI: 10.7270/Q29P30R9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM81993
PNG
(BROMOCRIPTINE | Bromocriptine+ (GTP+) | Bromocript...)
Show SMILES CC(C)C[C@@H]1N2C(=O)[C@](NC(=O)[C@H]3CN(C)[C@@H]4Cc5c(Br)[nH]c6cccc(C4=C3)c56)(O[C@@]2(O)[C@@H]2CCCN2C1=O)C(C)C
Show InChI InChI=1S/C32H40BrN5O5/c1-16(2)12-24-29(40)37-11-7-10-25(37)32(42)38(24)30(41)31(43-32,17(3)4)35-28(39)18-13-20-19-8-6-9-22-26(19)21(27(33)34-22)14-23(20)36(5)15-18/h6,8-9,13,16-18,23-25,34,42H,7,10-12,14-15H2,1-5H3,(H,35,39)/t18-,23-,24+,25+,31-,32+/m1/s1
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24n/an/an/an/an/an/an/an/a



Pharmacia & Upjohn

Curated by ChEMBL


Assay Description
Binding affinity towards Serotonin 5-hydroxytryptamine 1A receptor by displacement of [3H]-(+)-8-OH-DPAT.


J Med Chem 40: 639-46 (1997)


Article DOI: 10.1021/jm960360q
BindingDB Entry DOI: 10.7270/Q29P30R9
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50056446
PNG
((R)-5-Propylamino-5,6-dihydro-1H,4H-imidazo[4,5,1-...)
Show SMILES CCCN[C@@H]1Cc2cccc3[nH]c(=O)n(C1)c23
Show InChI InChI=1S/C13H17N3O/c1-2-6-14-10-7-9-4-3-5-11-12(9)16(8-10)13(17)15-11/h3-5,10,14H,2,6-8H2,1H3,(H,15,17)/t10-/m1/s1
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36n/an/an/an/an/an/an/an/a



Pharmacia & Upjohn

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine receptor D3 by displacement of [3H]-(+)-7-OH-DPAT.


J Med Chem 40: 639-46 (1997)


Article DOI: 10.1021/jm960360q
BindingDB Entry DOI: 10.7270/Q29P30R9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50056446
PNG
((R)-5-Propylamino-5,6-dihydro-1H,4H-imidazo[4,5,1-...)
Show SMILES CCCN[C@@H]1Cc2cccc3[nH]c(=O)n(C1)c23
Show InChI InChI=1S/C13H17N3O/c1-2-6-14-10-7-9-4-3-5-11-12(9)16(8-10)13(17)15-11/h3-5,10,14H,2,6-8H2,1H3,(H,15,17)/t10-/m1/s1
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58n/an/an/an/an/an/an/an/a



Pharmacia & Upjohn

Curated by ChEMBL


Assay Description
Binding affinity towards Serotonin 5-hydroxytryptamine 1A receptor by displacement of [3H]-(+)-8-OH-DPAT.


J Med Chem 40: 639-46 (1997)


Article DOI: 10.1021/jm960360q
BindingDB Entry DOI: 10.7270/Q29P30R9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50056443
PNG
((R)-5-Methylamino-5,6-dihydro-1H,4H-imidazo[4,5,1-...)
Show SMILES CN[C@@H]1Cc2cccc3[nH]c(=O)n(C1)c23
Show InChI InChI=1S/C11H13N3O/c1-12-8-5-7-3-2-4-9-10(7)14(6-8)11(15)13-9/h2-4,8,12H,5-6H2,1H3,(H,13,15)/t8-/m1/s1
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73n/an/an/an/an/an/an/an/a



Pharmacia & Upjohn

Curated by ChEMBL


Assay Description
Binding affinity towards Serotonin 5-hydroxytryptamine 1A receptor by displacement of [3H]-(+)-8-OH-DPAT.


J Med Chem 40: 639-46 (1997)


Article DOI: 10.1021/jm960360q
BindingDB Entry DOI: 10.7270/Q29P30R9
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM81993
PNG
(BROMOCRIPTINE | Bromocriptine+ (GTP+) | Bromocript...)
Show SMILES CC(C)C[C@@H]1N2C(=O)[C@](NC(=O)[C@H]3CN(C)[C@@H]4Cc5c(Br)[nH]c6cccc(C4=C3)c56)(O[C@@]2(O)[C@@H]2CCCN2C1=O)C(C)C
Show InChI InChI=1S/C32H40BrN5O5/c1-16(2)12-24-29(40)37-11-7-10-25(37)32(42)38(24)30(41)31(43-32,17(3)4)35-28(39)18-13-20-19-8-6-9-22-26(19)21(27(33)34-22)14-23(20)36(5)15-18/h6,8-9,13,16-18,23-25,34,42H,7,10-12,14-15H2,1-5H3,(H,35,39)/t18-,23-,24+,25+,31-,32+/m1/s1
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87n/an/an/an/an/an/an/an/a



Pharmacia & Upjohn

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine receptor D3 by displacement of [3H]-(+)-7-OH-DPAT.


J Med Chem 40: 639-46 (1997)


Article DOI: 10.1021/jm960360q
BindingDB Entry DOI: 10.7270/Q29P30R9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50056444
PNG
((R)-5-Dimethylamino-5,6-dihydro-1H,4H-imidazo[4,5,...)
Show SMILES CN(C)[C@@H]1Cc2cccc3[nH]c(=O)n(C1)c23
Show InChI InChI=1S/C12H15N3O/c1-14(2)9-6-8-4-3-5-10-11(8)15(7-9)12(16)13-10/h3-5,9H,6-7H2,1-2H3,(H,13,16)/t9-/m1/s1
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92n/an/an/an/an/an/an/an/a



Pharmacia & Upjohn

Curated by ChEMBL


Assay Description
Binding affinity towards Serotonin 5-hydroxytryptamine 1A receptor by displacement of [3H]-(+)-8-OH-DPAT.


J Med Chem 40: 639-46 (1997)


Article DOI: 10.1021/jm960360q
BindingDB Entry DOI: 10.7270/Q29P30R9
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50056442
PNG
((R)-5,6-Dihydro-4H-imidazo[4,5,1-ij]quinolin-5-yl-...)
Show SMILES CN[C@@H]1Cc2cccc3ncn(C1)c23
Show InChI InChI=1S/C11H13N3/c1-12-9-5-8-3-2-4-10-11(8)14(6-9)7-13-10/h2-4,7,9,12H,5-6H2,1H3/t9-/m1/s1
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355n/an/an/an/an/an/an/an/a



Pharmacia & Upjohn

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine receptor D2 by displacement of [3H]-U-86,170.


J Med Chem 40: 639-46 (1997)


Article DOI: 10.1021/jm960360q
BindingDB Entry DOI: 10.7270/Q29P30R9
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50056447
PNG
((R)-5,6-Dihydro-4H-imidazo[4,5,1-ij]quinolin-5-yl-...)
Show SMILES CN(C)[C@@H]1Cc2cccc3ncn(C1)c23
Show InChI InChI=1S/C12H15N3/c1-14(2)10-6-9-4-3-5-11-12(9)15(7-10)8-13-11/h3-5,8,10H,6-7H2,1-2H3/t10-/m1/s1
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1.28E+3n/an/an/an/an/an/an/an/a



Pharmacia & Upjohn

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine receptor D2 by displacement of [3H]-U-86,170.


J Med Chem 40: 639-46 (1997)


Article DOI: 10.1021/jm960360q
BindingDB Entry DOI: 10.7270/Q29P30R9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50020680
PNG
(4-[2-(dipropylamino)ethyl]-1,3-dihydro-2H-indol-2-...)
Show SMILES CCCN(CCC)CCc1cccc2NC(=O)Cc12
Show InChI InChI=1S/C16H24N2O/c1-3-9-18(10-4-2)11-8-13-6-5-7-15-14(13)12-16(19)17-15/h5-7H,3-4,8-12H2,1-2H3,(H,17,19)
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1.71E+3n/an/an/an/an/an/an/an/a



Pharmacia & Upjohn

Curated by ChEMBL


Assay Description
Binding affinity towards Serotonin 5-hydroxytryptamine 1A receptor by displacement of [3H]-(+)-8-OH-DPAT.


J Med Chem 40: 639-46 (1997)


Article DOI: 10.1021/jm960360q
BindingDB Entry DOI: 10.7270/Q29P30R9
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50056444
PNG
((R)-5-Dimethylamino-5,6-dihydro-1H,4H-imidazo[4,5,...)
Show SMILES CN(C)[C@@H]1Cc2cccc3[nH]c(=O)n(C1)c23
Show InChI InChI=1S/C12H15N3O/c1-14(2)9-6-8-4-3-5-10-11(8)15(7-9)12(16)13-10/h3-5,9H,6-7H2,1-2H3,(H,13,16)/t9-/m1/s1
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1.93E+3n/an/an/an/an/an/an/an/a



Pharmacia & Upjohn

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine receptor D3 by displacement of [3H]-(+)-7-OH-DPAT.


J Med Chem 40: 639-46 (1997)


Article DOI: 10.1021/jm960360q
BindingDB Entry DOI: 10.7270/Q29P30R9
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50056443
PNG
((R)-5-Methylamino-5,6-dihydro-1H,4H-imidazo[4,5,1-...)
Show SMILES CN[C@@H]1Cc2cccc3[nH]c(=O)n(C1)c23
Show InChI InChI=1S/C11H13N3O/c1-12-8-5-7-3-2-4-9-10(7)14(6-8)11(15)13-9/h2-4,8,12H,5-6H2,1H3,(H,13,15)/t8-/m1/s1
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2.33E+3n/an/an/an/an/an/an/an/a



Pharmacia & Upjohn

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine receptor D3 by displacement of [3H]-(+)-7-OH-DPAT.


J Med Chem 40: 639-46 (1997)


Article DOI: 10.1021/jm960360q
BindingDB Entry DOI: 10.7270/Q29P30R9
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50056442
PNG
((R)-5,6-Dihydro-4H-imidazo[4,5,1-ij]quinolin-5-yl-...)
Show SMILES CN[C@@H]1Cc2cccc3ncn(C1)c23
Show InChI InChI=1S/C11H13N3/c1-12-9-5-8-3-2-4-10-11(8)14(6-9)7-13-10/h2-4,7,9,12H,5-6H2,1H3/t9-/m1/s1
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2.46E+3n/an/an/an/an/an/an/an/a



Pharmacia & Upjohn

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine receptor D3 by displacement of [3H]-(+)-7-OH-DPAT.


J Med Chem 40: 639-46 (1997)


Article DOI: 10.1021/jm960360q
BindingDB Entry DOI: 10.7270/Q29P30R9
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50056447
PNG
((R)-5,6-Dihydro-4H-imidazo[4,5,1-ij]quinolin-5-yl-...)
Show SMILES CN(C)[C@@H]1Cc2cccc3ncn(C1)c23
Show InChI InChI=1S/C12H15N3/c1-14(2)10-6-9-4-3-5-11-12(9)15(7-10)8-13-11/h3-5,8,10H,6-7H2,1-2H3/t10-/m1/s1
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2.95E+3n/an/an/an/an/an/an/an/a



Pharmacia & Upjohn

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine receptor D3 by displacement of [3H]-(+)-7-OH-DPAT.


J Med Chem 40: 639-46 (1997)


Article DOI: 10.1021/jm960360q
BindingDB Entry DOI: 10.7270/Q29P30R9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50056442
PNG
((R)-5,6-Dihydro-4H-imidazo[4,5,1-ij]quinolin-5-yl-...)
Show SMILES CN[C@@H]1Cc2cccc3ncn(C1)c23
Show InChI InChI=1S/C11H13N3/c1-12-9-5-8-3-2-4-10-11(8)14(6-9)7-13-10/h2-4,7,9,12H,5-6H2,1H3/t9-/m1/s1
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>3.26E+3n/an/an/an/an/an/an/an/a



Pharmacia & Upjohn

Curated by ChEMBL


Assay Description
Binding affinity towards Serotonin 5-hydroxytryptamine 1A receptor by displacement of [3H]-(+)-8-OH-DPAT.


J Med Chem 40: 639-46 (1997)


Article DOI: 10.1021/jm960360q
BindingDB Entry DOI: 10.7270/Q29P30R9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50056447
PNG
((R)-5,6-Dihydro-4H-imidazo[4,5,1-ij]quinolin-5-yl-...)
Show SMILES CN(C)[C@@H]1Cc2cccc3ncn(C1)c23
Show InChI InChI=1S/C12H15N3/c1-14(2)10-6-9-4-3-5-11-12(9)15(7-10)8-13-11/h3-5,8,10H,6-7H2,1-2H3/t10-/m1/s1
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>3.52E+3n/an/an/an/an/an/an/an/a



Pharmacia & Upjohn

Curated by ChEMBL


Assay Description
Binding affinity towards Serotonin 5-hydroxytryptamine 1A receptor by displacement of [3H]-(+)-8-OH-DPAT.


J Med Chem 40: 639-46 (1997)


Article DOI: 10.1021/jm960360q
BindingDB Entry DOI: 10.7270/Q29P30R9
More data for this
Ligand-Target Pair
Renin


(Rattus norvegicus)
BDBM50014102
PNG
(Boc-Pro-Phe-N(Me) His-Leu[CHOHCH2]Val-Ile-THAM Ami...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)C(C)C)C(=O)NC(CO)(CO)CO
Show InChI InChI=1S/C48H78N8O11/c1-11-31(6)40(44(64)54-48(25-57,26-58)27-59)53-41(61)34(30(4)5)23-39(60)35(20-29(2)3)51-43(63)38(22-33-24-49-28-50-33)55(10)45(65)36(21-32-16-13-12-14-17-32)52-42(62)37-18-15-19-56(37)46(66)67-47(7,8)9/h12-14,16-17,24,28-31,34-40,57-60H,11,15,18-23,25-27H2,1-10H3,(H,49,50)(H,51,63)(H,52,62)(H,53,61)(H,54,64)/t31-,34+,35-,36-,37-,38-,39-,40-/m0/s1
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n/an/a 0.260n/an/an/an/an/an/a



Upjohn Company

Curated by ChEMBL


Assay Description
Tested invitro for inhibitory activity against plasma renin in rat models


J Med Chem 33: 2276-83 (1990)


Article DOI: 10.1021/jm00170a036
BindingDB Entry DOI: 10.7270/Q28C9V7S
More data for this
Ligand-Target Pair
Renin


(Rattus norvegicus)
BDBM50014100
PNG
(2-(1-{[1-{2-Hydroxy-1-isobutyl-5-methyl-4-[2-methy...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)C(C)C)C(=O)NCc1ccccn1
Show InChI InChI=1S/C50H75N9O8/c1-11-33(6)43(47(64)53-29-35-20-15-16-22-52-35)57-44(61)37(32(4)5)27-42(60)38(24-31(2)3)55-46(63)41(26-36-28-51-30-54-36)58(10)48(65)39(25-34-18-13-12-14-19-34)56-45(62)40-21-17-23-59(40)49(66)67-50(7,8)9/h12-16,18-20,22,28,30-33,37-43,60H,11,17,21,23-27,29H2,1-10H3,(H,51,54)(H,53,64)(H,55,63)(H,56,62)(H,57,61)/t33-,37+,38-,39-,40-,41-,42-,43-/m0/s1
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Upjohn Company

Curated by ChEMBL


Assay Description
Tested invitro for inhibitory activity against plasma renin in rat models


J Med Chem 33: 2276-83 (1990)


Article DOI: 10.1021/jm00170a036
BindingDB Entry DOI: 10.7270/Q28C9V7S
More data for this
Ligand-Target Pair
Renin


(Rattus norvegicus)
BDBM50014106
PNG
(CHEMBL429882 | N-[[[2-Hydroxy-1,1-bis(hydroxymethy...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)NC(CO)(CO)CO)C(C)C)C(=O)NCc1ccccn1
Show InChI InChI=1S/C50H76N10O10/c1-8-33(6)43(47(68)53-26-35-17-12-13-19-52-35)57-44(65)37(32(4)5)24-42(64)38(21-31(2)3)55-46(67)41(23-36-25-51-30-54-36)59(7)48(69)39(22-34-15-10-9-11-16-34)56-45(66)40-18-14-20-60(40)49(70)58-50(27-61,28-62)29-63/h9-13,15-17,19,25,30-33,37-43,61-64H,8,14,18,20-24,26-29H2,1-7H3,(H,51,54)(H,53,68)(H,55,67)(H,56,66)(H,57,65)(H,58,70)/t33-,37+,38-,39-,40-,41-,42-,43-/m0/s1
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n/an/a 0.330n/an/an/an/an/an/a



Upjohn Company

Curated by ChEMBL


Assay Description
Tested invitro for inhibitory activity against plasma renin in rat models


J Med Chem 33: 2276-83 (1990)


Article DOI: 10.1021/jm00170a036
BindingDB Entry DOI: 10.7270/Q28C9V7S
More data for this
Ligand-Target Pair
Renin


(Rattus norvegicus)
BDBM50014105
PNG
(2-(1-{[1-{2-Hydroxy-1-isobutyl-5-methyl-4-[2-methy...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)C(C)C)C(=O)OCc1ccccn1
Show InChI InChI=1S/C50H74N8O9/c1-11-33(6)43(48(64)66-29-35-20-15-16-22-52-35)56-44(60)37(32(4)5)27-42(59)38(24-31(2)3)54-46(62)41(26-36-28-51-30-53-36)57(10)47(63)39(25-34-18-13-12-14-19-34)55-45(61)40-21-17-23-58(40)49(65)67-50(7,8)9/h12-16,18-20,22,28,30-33,37-43,59H,11,17,21,23-27,29H2,1-10H3,(H,51,53)(H,54,62)(H,55,61)(H,56,60)/t33-,37+,38-,39-,40-,41-,42-,43-/m0/s1
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Upjohn Company

Curated by ChEMBL


Assay Description
Tested invitro for inhibitory activity against plasma renin in rat models


J Med Chem 33: 2276-83 (1990)


Article DOI: 10.1021/jm00170a036
BindingDB Entry DOI: 10.7270/Q28C9V7S
More data for this
Ligand-Target Pair
Renin


(Rattus norvegicus)
BDBM50014099
PNG
(CHEMBL414795 | N-[(D-Glucosylamino)carbonyl]-Pro-P...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@H](O)[C@@H]1O)C(C)C)C(=O)NCc1ccccn1
Show InChI InChI=1S/C52H78N10O12/c1-8-31(6)42(49(70)55-26-33-17-12-13-19-54-33)59-46(67)35(30(4)5)24-40(64)36(21-29(2)3)57-48(69)39(23-34-25-53-28-56-34)61(7)50(71)37(22-32-15-10-9-11-16-32)58-47(68)38-18-14-20-62(38)52(73)60-43-45(66)44(65)41(27-63)74-51(43)72/h9-13,15-17,19,25,28-31,35-45,51,63-66,72H,8,14,18,20-24,26-27H2,1-7H3,(H,53,56)(H,55,70)(H,57,69)(H,58,68)(H,59,67)(H,60,73)/t31-,35+,36-,37-,38-,39-,40-,41+,42-,43+,44-,45+,51-/m0/s1
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n/an/a 0.490n/an/an/an/an/an/a



Upjohn Company

Curated by ChEMBL


Assay Description
Tested invitro for inhibitory activity against plasma renin in rat models


J Med Chem 33: 2276-83 (1990)


Article DOI: 10.1021/jm00170a036
BindingDB Entry DOI: 10.7270/Q28C9V7S
More data for this
Ligand-Target Pair
Renin


(Rattus norvegicus)
BDBM50014104
PNG
(CHEMBL410067 | N-[[[2-Hydroxy-1,1-bis(hydroxymethy...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)NC(CO)(CO)CO)C(C)C)C(=O)OCc1ccccn1
Show InChI InChI=1S/C50H75N9O11/c1-8-33(6)43(48(68)70-26-35-17-12-13-19-52-35)56-44(64)37(32(4)5)24-42(63)38(21-31(2)3)54-46(66)41(23-36-25-51-30-53-36)58(7)47(67)39(22-34-15-10-9-11-16-34)55-45(65)40-18-14-20-59(40)49(69)57-50(27-60,28-61)29-62/h9-13,15-17,19,25,30-33,37-43,60-63H,8,14,18,20-24,26-29H2,1-7H3,(H,51,53)(H,54,66)(H,55,65)(H,56,64)(H,57,69)/t33-,37+,38-,39-,40-,41-,42-,43-/m0/s1
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Upjohn Company

Curated by ChEMBL


Assay Description
Tested invitro for inhibitory activity against plasma renin in rat models


J Med Chem 33: 2276-83 (1990)


Article DOI: 10.1021/jm00170a036
BindingDB Entry DOI: 10.7270/Q28C9V7S
More data for this
Ligand-Target Pair
Renin


(Rattus norvegicus)
BDBM50014101
PNG
(CHEMBL265833 | N-[4,5-Dihydro-4,4-bis(hydroxymethy...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C1=NC(CO)(CO)CO1)C(C)C)C(=O)OCc1ccccn1
Show InChI InChI=1S/C50H73N9O10/c1-8-33(6)43(48(67)68-26-35-17-12-13-19-52-35)56-44(63)37(32(4)5)24-42(62)38(21-31(2)3)54-46(65)41(23-36-25-51-30-53-36)58(7)47(66)39(22-34-15-10-9-11-16-34)55-45(64)40-18-14-20-59(40)49-57-50(27-60,28-61)29-69-49/h9-13,15-17,19,25,30-33,37-43,60-62H,8,14,18,20-24,26-29H2,1-7H3,(H,51,53)(H,54,65)(H,55,64)(H,56,63)/t33-,37+,38-,39-,40-,41-,42-,43-/m0/s1
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Upjohn Company

Curated by ChEMBL


Assay Description
Tested invitro for inhibitory activity against plasma renin in rat models


J Med Chem 33: 2276-83 (1990)


Article DOI: 10.1021/jm00170a036
BindingDB Entry DOI: 10.7270/Q28C9V7S
More data for this
Ligand-Target Pair
Renin


(Rattus norvegicus)
BDBM50014103
PNG
(CHEMBL263257 | N-[(D-Glucosylamino)carbonyl]-Pro-P...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@H](O)[C@@H]1O)C(C)C)C(=O)OCc1ccccn1
Show InChI InChI=1S/C52H77N9O13/c1-8-31(6)42(50(70)73-27-33-17-12-13-19-54-33)58-46(66)35(30(4)5)24-40(63)36(21-29(2)3)56-48(68)39(23-34-25-53-28-55-34)60(7)49(69)37(22-32-15-10-9-11-16-32)57-47(67)38-18-14-20-61(38)52(72)59-43-45(65)44(64)41(26-62)74-51(43)71/h9-13,15-17,19,25,28-31,35-45,51,62-65,71H,8,14,18,20-24,26-27H2,1-7H3,(H,53,55)(H,56,68)(H,57,67)(H,58,66)(H,59,72)/t31-,35+,36-,37-,38-,39-,40-,41+,42-,43+,44-,45+,51-/m0/s1
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Upjohn Company

Curated by ChEMBL


Assay Description
Tested invitro for inhibitory activity against plasma renin in rat models


J Med Chem 33: 2276-83 (1990)


Article DOI: 10.1021/jm00170a036
BindingDB Entry DOI: 10.7270/Q28C9V7S
More data for this
Ligand-Target Pair