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Compile Data Set for Download or QSAR

Found 670 hits with Last Name = 'bayburt' and Initial = 'ek'   
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


(RAT)
BDBM50408146
PNG
(CHEMBL2114444)
Show SMILES CCc1cc2[C@H]3[C@@H](CCc4cc(O)c(O)cc34)NCc2s1
Show InChI InChI=1S/C17H19NO2S/c1-2-10-6-12-16(21-10)8-18-13-4-3-9-5-14(19)15(20)7-11(9)17(12)13/h5-7,13,17-20H,2-4,8H2,1H3/t13-,17+/m1/s1
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2.30n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against Dopamine receptor D1 like from rat caudate membrane using [125I]-SCH as radioligand


J Med Chem 40: 1585-99 (1997)


Article DOI: 10.1021/jm970038v
BindingDB Entry DOI: 10.7270/Q2Z89D2B
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50057833
PNG
((5aS,11bS)-2-Chloro-4,5,5a,6,7,11b-hexahydro-1-thi...)
Show SMILES Oc1cc2CC[C@@H]3NCc4cc(Cl)sc4[C@H]3c2cc1O
Show InChI InChI=1S/C15H14ClNO2S/c16-13-4-8-6-17-10-2-1-7-3-11(18)12(19)5-9(7)14(10)15(8)20-13/h3-5,10,14,17-19H,1-2,6H2/t10-,14-/m0/s1
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4.30n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against Dopamine receptor D1 like from rat caudate membrane using [125I]-SCH as radioligand


J Med Chem 40: 1585-99 (1997)


Article DOI: 10.1021/jm970038v
BindingDB Entry DOI: 10.7270/Q2Z89D2B
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50408147
PNG
(CHEMBL2114440)
Show SMILES Cc1cc2[C@H]3[C@@H](CCc4cc(O)c(O)cc34)NCc2s1
Show InChI InChI=1S/C16H17NO2S/c1-8-4-11-15(20-8)7-17-12-3-2-9-5-13(18)14(19)6-10(9)16(11)12/h4-6,12,16-19H,2-3,7H2,1H3/t12-,16+/m1/s1
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5.70n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against Dopamine receptor D1 like from rat caudate membrane using [125I]-SCH as radioligand


J Med Chem 40: 1585-99 (1997)


Article DOI: 10.1021/jm970038v
BindingDB Entry DOI: 10.7270/Q2Z89D2B
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50408143
PNG
(CHEMBL2115377)
Show SMILES CCc1cc2[C@@H]3[C@H](CCc4cc(O)c(O)cc34)NCc2s1
Show InChI InChI=1S/C17H19NO2S/c1-2-10-6-12-16(21-10)8-18-13-4-3-9-5-14(19)15(20)7-11(9)17(12)13/h5-7,13,17-20H,2-4,8H2,1H3/t13-,17+/m0/s1
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6.5n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against Dopamine receptor D1 like from rat caudate membrane using [125I]-SCH as radioligand


J Med Chem 40: 1585-99 (1997)


Article DOI: 10.1021/jm970038v
BindingDB Entry DOI: 10.7270/Q2Z89D2B
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50408145
PNG
(CHEMBL2114441)
Show SMILES CC(C)(C)c1cc2[C@H]3[C@@H](CCc4cc(O)c(O)cc34)NCc2s1
Show InChI InChI=1S/C19H23NO2S/c1-19(2,3)17-8-12-16(23-17)9-20-13-5-4-10-6-14(21)15(22)7-11(10)18(12)13/h6-8,13,18,20-22H,4-5,9H2,1-3H3/t13-,18+/m1/s1
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6.60n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against Dopamine receptor D1 like from rat caudate membrane using [125I]-SCH as radioligand


J Med Chem 40: 1585-99 (1997)


Article DOI: 10.1021/jm970038v
BindingDB Entry DOI: 10.7270/Q2Z89D2B
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM8465
PNG
((2R)-N-hydroxy-2-[(4-methoxybenzene)(pyridin-3-ylm...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)[C@H](C(C)C)C(=O)NO |r|
Show InChI InChI=1S/C18H23N3O5S/c1-13(2)17(18(22)20-23)21(12-14-5-4-10-19-11-14)27(24,25)16-8-6-15(26-3)7-9-16/h4-11,13,17,23H,12H2,1-3H3,(H,20,22)/t17-/m1/s1
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8n/an/an/an/an/an/an/an/a



Novartis Pharmaceuticals



Assay Description
Stromelysin inhibitory activity is based on the hydrolysis of substance P by recombinant human stromelysin to generate a fragment, substance P 7-11, ...


J Med Chem 40: 2525-32 (1997)


Article DOI: 10.1021/jm960871c
BindingDB Entry DOI: 10.7270/Q2MW2FC7
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50057842
PNG
((5aS,11bS)-2-Ethyl-4,5,5a,6,7,11b-hexahydro-1-thia...)
Show SMILES CCc1cc2CN[C@H]3CCc4cc(O)c(O)cc4[C@@H]3c2s1
Show InChI InChI=1S/C17H19NO2S/c1-2-11-5-10-8-18-13-4-3-9-6-14(19)15(20)7-12(9)16(13)17(10)21-11/h5-7,13,16,18-20H,2-4,8H2,1H3/t13-,16-/m0/s1
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8.5n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against Dopamine receptor D1 like from rat caudate membrane using [125I]-SCH as radioligand


J Med Chem 40: 1585-99 (1997)


Article DOI: 10.1021/jm970038v
BindingDB Entry DOI: 10.7270/Q2Z89D2B
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50057848
PNG
((5aS,11bR)-2-Chloro-4,5,5a,6,7,11b-hexahydro-3-thi...)
Show SMILES Oc1cc2CC[C@@H]3NCc4sc(Cl)cc4[C@H]3c2cc1O
Show InChI InChI=1S/C15H14ClNO2S/c16-14-5-9-13(20-14)6-17-10-2-1-7-3-11(18)12(19)4-8(7)15(9)10/h3-5,10,15,17-19H,1-2,6H2/t10-,15+/m0/s1
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12n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against Dopamine receptor D1 like from rat caudate membrane using [125I]-SCH as radioligand


J Med Chem 40: 1585-99 (1997)


Article DOI: 10.1021/jm970038v
BindingDB Entry DOI: 10.7270/Q2Z89D2B
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50057841
PNG
((5aS,11bS)-2-Propyl-4,5,5a,6,7,11b-hexahydro-1-thi...)
Show SMILES CCCc1cc2CN[C@H]3CCc4cc(O)c(O)cc4[C@@H]3c2s1
Show InChI InChI=1S/C18H21NO2S/c1-2-3-12-6-11-9-19-14-5-4-10-7-15(20)16(21)8-13(10)17(14)18(11)22-12/h6-8,14,17,19-21H,2-5,9H2,1H3/t14-,17-/m0/s1
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13n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against Dopamine receptor D1 like from rat caudate membrane using [125I]-SCH as radioligand


J Med Chem 40: 1585-99 (1997)


Article DOI: 10.1021/jm970038v
BindingDB Entry DOI: 10.7270/Q2Z89D2B
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50033114
PNG
((5aR,11bS)-2-Propyl-4,5,5a,6,7,11b-hexahydro-3-thi...)
Show SMILES CCCc1cc2[C@H]3[C@@H](CCc4cc(O)c(O)cc34)NCc2s1
Show InChI InChI=1S/C18H21NO2S/c1-2-3-11-7-13-17(22-11)9-19-14-5-4-10-6-15(20)16(21)8-12(10)18(13)14/h6-8,14,18-21H,2-5,9H2,1H3/t14-,18+/m1/s1
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14n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against Dopamine receptor D1 like from rat caudate membrane using [125I]-SCH as radioligand


J Med Chem 40: 1585-99 (1997)


Article DOI: 10.1021/jm970038v
BindingDB Entry DOI: 10.7270/Q2Z89D2B
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50033115
PNG
((5aS,11bR)-2-Propyl-4,5,5a,6,7,11b-hexahydro-3-thi...)
Show SMILES CCCc1cc2[C@@H]3[C@H](CCc4cc(O)c(O)cc34)NCc2s1
Show InChI InChI=1S/C18H21NO2S/c1-2-3-11-7-13-17(22-11)9-19-14-5-4-10-6-15(20)16(21)8-12(10)18(13)14/h6-8,14,18-21H,2-5,9H2,1H3/t14-,18+/m0/s1
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18n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against Dopamine receptor D1 like from rat caudate membrane using [125I]-SCH as radioligand


J Med Chem 40: 1585-99 (1997)


Article DOI: 10.1021/jm970038v
BindingDB Entry DOI: 10.7270/Q2Z89D2B
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50057846
PNG
((5aS,11bS)-2-Methyl-4,5,5a,6,7,11b-hexahydro-1-thi...)
Show SMILES Cc1cc2CN[C@H]3CCc4cc(O)c(O)cc4[C@@H]3c2s1
Show InChI InChI=1S/C16H17NO2S/c1-8-4-10-7-17-12-3-2-9-5-13(18)14(19)6-11(9)15(12)16(10)20-8/h4-6,12,15,17-19H,2-3,7H2,1H3/t12-,15-/m0/s1
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18n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against Dopamine receptor D1 like from rat caudate membrane using [125I]-SCH as radioligand


J Med Chem 40: 1585-99 (1997)


Article DOI: 10.1021/jm970038v
BindingDB Entry DOI: 10.7270/Q2Z89D2B
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50408141
PNG
(CHEMBL2115372)
Show SMILES Cc1cc2[C@@H]3[C@H](CCc4cc(O)c(O)cc34)NCc2s1
Show InChI InChI=1S/C16H17NO2S/c1-8-4-11-15(20-8)7-17-12-3-2-9-5-13(18)14(19)6-10(9)16(11)12/h4-6,12,16-19H,2-3,7H2,1H3/t12-,16+/m0/s1
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18n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against Dopamine receptor D1 like from rat caudate membrane using [125I]-SCH as radioligand


J Med Chem 40: 1585-99 (1997)


Article DOI: 10.1021/jm970038v
BindingDB Entry DOI: 10.7270/Q2Z89D2B
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50057857
PNG
((5aS,11bR)-2-Isopropyl-4,5,5a,6,7,11b-hexahydro-3-...)
Show SMILES CC(C)c1cc2[C@@H]3[C@H](CCc4cc(O)c(O)cc34)NCc2s1
Show InChI InChI=1S/C18H21NO2S/c1-9(2)16-7-12-17(22-16)8-19-13-4-3-10-5-14(20)15(21)6-11(10)18(12)13/h5-7,9,13,18-21H,3-4,8H2,1-2H3/t13-,18+/m0/s1
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20n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against Dopamine receptor D1 like from rat caudate membrane using [125I]-SCH as radioligand


J Med Chem 40: 1585-99 (1997)


Article DOI: 10.1021/jm970038v
BindingDB Entry DOI: 10.7270/Q2Z89D2B
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM8465
PNG
((2R)-N-hydroxy-2-[(4-methoxybenzene)(pyridin-3-ylm...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)[C@H](C(C)C)C(=O)NO |r|
Show InChI InChI=1S/C18H23N3O5S/c1-13(2)17(18(22)20-23)21(12-14-5-4-10-19-11-14)27(24,25)16-8-6-15(26-3)7-9-16/h4-11,13,17,23H,12H2,1-3H3,(H,20,22)/t17-/m1/s1
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20n/an/an/an/an/an/an/an/a



Novartis Pharmaceuticals



Assay Description
Stromelysin inhibitory activity is based on the hydrolysis of substance P by recombinant human stromelysin to generate a fragment, substance P 7-11, ...


J Med Chem 40: 2525-32 (1997)


Article DOI: 10.1021/jm960871c
BindingDB Entry DOI: 10.7270/Q2MW2FC7
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50057845
PNG
((5aS,11bS)-2-Butyl-4,5,5a,6,7,11b-hexahydro-1-thia...)
Show SMILES CCCCc1cc2CN[C@H]3CCc4cc(O)c(O)cc4[C@@H]3c2s1
Show InChI InChI=1S/C19H23NO2S/c1-2-3-4-13-7-12-10-20-15-6-5-11-8-16(21)17(22)9-14(11)18(15)19(12)23-13/h7-9,15,18,20-22H,2-6,10H2,1H3/t15-,18-/m0/s1
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22n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against Dopamine receptor D1 like from rat caudate membrane using [125I]-SCH as radioligand


J Med Chem 40: 1585-99 (1997)


Article DOI: 10.1021/jm970038v
BindingDB Entry DOI: 10.7270/Q2Z89D2B
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM13122
PNG
((2R)-2-[benzyl(4-methoxybenzene)sulfonamido]-N-hyd...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)[C@H](CC(C)C)C(=O)NO |r|
Show InChI InChI=1S/C20H26N2O5S/c1-15(2)13-19(20(23)21-24)22(14-16-7-5-4-6-8-16)28(25,26)18-11-9-17(27-3)10-12-18/h4-12,15,19,24H,13-14H2,1-3H3,(H,21,23)/t19-/m1/s1
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23n/an/an/an/an/an/an/an/a



Novartis Pharmaceuticals



Assay Description
Stromelysin inhibitory activity is based on the hydrolysis of substance P by recombinant human stromelysin to generate a fragment, substance P 7-11, ...


J Med Chem 40: 2525-32 (1997)


Article DOI: 10.1021/jm960871c
BindingDB Entry DOI: 10.7270/Q2MW2FC7
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM13133
PNG
((2R)-2-[benzyl(4-methoxybenzene)sulfonamido]-N-hyd...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)[C@H](CC(C)(C)C)C(=O)NO |r|
Show InChI InChI=1S/C21H28N2O5S/c1-21(2,3)14-19(20(24)22-25)23(15-16-8-6-5-7-9-16)29(26,27)18-12-10-17(28-4)11-13-18/h5-13,19,25H,14-15H2,1-4H3,(H,22,24)/t19-/m1/s1
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28n/an/an/an/an/an/an/an/a



Novartis Pharmaceuticals



Assay Description
Stromelysin inhibitory activity is based on the hydrolysis of substance P by recombinant human stromelysin to generate a fragment, substance P 7-11, ...


J Med Chem 40: 2525-32 (1997)


Article DOI: 10.1021/jm960871c
BindingDB Entry DOI: 10.7270/Q2MW2FC7
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM13121
PNG
((2R)-2-[benzyl(4-methoxybenzene)sulfonamido]-N-hyd...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)[C@H](Cc1ccccc1)C(=O)NO |r|
Show InChI InChI=1S/C23H24N2O5S/c1-30-20-12-14-21(15-13-20)31(28,29)25(17-19-10-6-3-7-11-19)22(23(26)24-27)16-18-8-4-2-5-9-18/h2-15,22,27H,16-17H2,1H3,(H,24,26)/t22-/m1/s1
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29n/an/an/an/an/an/an/an/a



Novartis Pharmaceuticals



Assay Description
Stromelysin inhibitory activity is based on the hydrolysis of substance P by recombinant human stromelysin to generate a fragment, substance P 7-11, ...


J Med Chem 40: 2525-32 (1997)


Article DOI: 10.1021/jm960871c
BindingDB Entry DOI: 10.7270/Q2MW2FC7
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50033116
PNG
((1R,3S)-3-Adamantan-1-yl-1-aminomethyl-isochroman-...)
Show SMILES NC[C@@H]1O[C@@H](Cc2c(O)c(O)ccc12)C12CC3CC(CC(C3)C1)C2 |TLB:21:16:23:22.20.19,21:20:23:15.16.17,THB:19:18:15:22.20.21,19:20:15:23.18.17|
Show InChI InChI=1S/C20H27NO3/c21-10-17-14-1-2-16(22)19(23)15(14)6-18(24-17)20-7-11-3-12(8-20)5-13(4-11)9-20/h1-2,11-13,17-18,22-23H,3-10,21H2/t11?,12?,13?,17-,18-,20?/m0/s1
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30n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against Dopamine receptor D1 like from rat caudate membrane using [125I]-SCH as radioligand


J Med Chem 40: 1585-99 (1997)


Article DOI: 10.1021/jm970038v
BindingDB Entry DOI: 10.7270/Q2Z89D2B
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM13127
PNG
((2R)-2-[benzyl(4-methoxybenzene)sulfonamido]-N-hyd...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)[C@H](CCSC)C(=O)NO |r|
Show InChI InChI=1S/C19H24N2O5S2/c1-26-16-8-10-17(11-9-16)28(24,25)21(14-15-6-4-3-5-7-15)18(12-13-27-2)19(22)20-23/h3-11,18,23H,12-14H2,1-2H3,(H,20,22)/t18-/m1/s1
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31n/an/an/an/an/an/an/an/a



Novartis Pharmaceuticals



Assay Description
Stromelysin inhibitory activity is based on the hydrolysis of substance P by recombinant human stromelysin to generate a fragment, substance P 7-11, ...


J Med Chem 40: 2525-32 (1997)


Article DOI: 10.1021/jm960871c
BindingDB Entry DOI: 10.7270/Q2MW2FC7
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50010686
PNG
((6aR,12bS)-10,11-Dihydroxy-5,6,6a,7,8,12b-hexahydr...)
Show SMILES Oc1cc2CC[C@H]3NCc4ccccc4[C@@H]3c2cc1O
Show InChI InChI=1S/C17H17NO2/c19-15-7-10-5-6-14-17(13(10)8-16(15)20)12-4-2-1-3-11(12)9-18-14/h1-4,7-8,14,17-20H,5-6,9H2/t14-,17-/m1/s1
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33n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to Dopamine receptor D1 by using radioligand [125I]-SCH-23982 in HEK cells


Bioorg Med Chem Lett 9: 1341-6 (1999)


BindingDB Entry DOI: 10.7270/Q2S75FH5
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM8465
PNG
((2R)-N-hydroxy-2-[(4-methoxybenzene)(pyridin-3-ylm...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)[C@H](C(C)C)C(=O)NO |r|
Show InChI InChI=1S/C18H23N3O5S/c1-13(2)17(18(22)20-23)21(12-14-5-4-10-19-11-14)27(24,25)16-8-6-15(26-3)7-9-16/h4-11,13,17,23H,12H2,1-3H3,(H,20,22)/t17-/m1/s1
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33n/an/an/an/an/an/an/an/a



Novartis Pharmaceuticals



Assay Description
Stromelysin inhibitory activity is based on the hydrolysis of substance P by recombinant human stromelysin to generate a fragment, substance P 7-11, ...


J Med Chem 40: 2525-32 (1997)


Article DOI: 10.1021/jm960871c
BindingDB Entry DOI: 10.7270/Q2MW2FC7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Stromelysin-1


(Homo sapiens (Human))
BDBM13126
PNG
((2R)-2-[benzyl(4-methoxybenzene)sulfonamido]-N-hyd...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)[C@H](C(C)C)C(=O)NO |r|
Show InChI InChI=1S/C19H24N2O5S/c1-14(2)18(19(22)20-23)21(13-15-7-5-4-6-8-15)27(24,25)17-11-9-16(26-3)10-12-17/h4-12,14,18,23H,13H2,1-3H3,(H,20,22)/t18-/m1/s1
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34n/an/an/an/an/an/an/an/a



Novartis Pharmaceuticals



Assay Description
Stromelysin inhibitory activity is based on the hydrolysis of substance P by recombinant human stromelysin to generate a fragment, substance P 7-11, ...


J Med Chem 40: 2525-32 (1997)


Article DOI: 10.1021/jm960871c
BindingDB Entry DOI: 10.7270/Q2MW2FC7
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50004822
PNG
((R)-1-phenyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine...)
Show SMILES Oc1cc2CCNC[C@H](c3ccccc3)c2cc1O
Show InChI InChI=1S/C16H17NO2/c18-15-8-12-6-7-17-10-14(13(12)9-16(15)19)11-4-2-1-3-5-11/h1-5,8-9,14,17-19H,6-7,10H2/t14-/m1/s1
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35n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against Dopamine receptor D1 like from rat caudate membrane using [125I]-SCH as radioligand


J Med Chem 40: 1585-99 (1997)


Article DOI: 10.1021/jm970038v
BindingDB Entry DOI: 10.7270/Q2Z89D2B
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM13119
PNG
((2R)-2-[benzyl(4-methoxybenzene)sulfonamido]-N-hyd...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)[C@H](C)C(=O)NO |r|
Show InChI InChI=1S/C17H20N2O5S/c1-13(17(20)18-21)19(12-14-6-4-3-5-7-14)25(22,23)16-10-8-15(24-2)9-11-16/h3-11,13,21H,12H2,1-2H3,(H,18,20)/t13-/m1/s1
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36n/an/an/an/an/an/an/an/a



Novartis Pharmaceuticals



Assay Description
Stromelysin inhibitory activity is based on the hydrolysis of substance P by recombinant human stromelysin to generate a fragment, substance P 7-11, ...


J Med Chem 40: 2525-32 (1997)


Article DOI: 10.1021/jm960871c
BindingDB Entry DOI: 10.7270/Q2MW2FC7
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM13100
PNG
(2-[(2-cyclohexylethyl)(4-methoxybenzene)sulfonamid...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CCC1CCCCC1)CC(=O)NO
Show InChI InChI=1S/C17H26N2O5S/c1-24-15-7-9-16(10-8-15)25(22,23)19(13-17(20)18-21)12-11-14-5-3-2-4-6-14/h7-10,14,21H,2-6,11-13H2,1H3,(H,18,20)
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38n/an/an/an/an/an/an/an/a



Novartis Pharmaceuticals



Assay Description
Stromelysin inhibitory activity is based on the hydrolysis of substance P by recombinant human stromelysin to generate a fragment, substance P 7-11, ...


J Med Chem 40: 2525-32 (1997)


Article DOI: 10.1021/jm960871c
BindingDB Entry DOI: 10.7270/Q2MW2FC7
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM13135
PNG
((2R,3S)-2-[benzyl(4-methoxybenzene)sulfonamido]-N-...)
Show SMILES CCC(C)[C@@H](N(Cc1ccccc1)S(=O)(=O)c1ccc(OC)cc1)C(=O)NO |r|
Show InChI InChI=1S/C20H26N2O5S/c1-4-15(2)19(20(23)21-24)22(14-16-8-6-5-7-9-16)28(25,26)18-12-10-17(27-3)11-13-18/h5-13,15,19,24H,4,14H2,1-3H3,(H,21,23)/t15?,19-/m1/s1
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39n/an/an/an/an/an/an/an/a



Novartis Pharmaceuticals



Assay Description
Stromelysin inhibitory activity is based on the hydrolysis of substance P by recombinant human stromelysin to generate a fragment, substance P 7-11, ...


J Med Chem 40: 2525-32 (1997)


Article DOI: 10.1021/jm960871c
BindingDB Entry DOI: 10.7270/Q2MW2FC7
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM13141
PNG
((2R)-N-hydroxy-2-[(4-methoxybenzene)(pyridin-3-ylm...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)[C@H](CC(C)(C)C)C(=O)NO |r|
Show InChI InChI=1S/C20H27N3O5S/c1-20(2,3)12-18(19(24)22-25)23(14-15-6-5-11-21-13-15)29(26,27)17-9-7-16(28-4)8-10-17/h5-11,13,18,25H,12,14H2,1-4H3,(H,22,24)/t18-/m1/s1
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42n/an/an/an/an/an/an/an/a



Novartis Pharmaceuticals



Assay Description
Stromelysin inhibitory activity is based on the hydrolysis of substance P by recombinant human stromelysin to generate a fragment, substance P 7-11, ...


J Med Chem 40: 2525-32 (1997)


Article DOI: 10.1021/jm960871c
BindingDB Entry DOI: 10.7270/Q2MW2FC7
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM8465
PNG
((2R)-N-hydroxy-2-[(4-methoxybenzene)(pyridin-3-ylm...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)[C@H](C(C)C)C(=O)NO |r|
Show InChI InChI=1S/C18H23N3O5S/c1-13(2)17(18(22)20-23)21(12-14-5-4-10-19-11-14)27(24,25)16-8-6-15(26-3)7-9-16/h4-11,13,17,23H,12H2,1-3H3,(H,20,22)/t17-/m1/s1
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43n/an/an/an/an/an/an/an/a



Novartis Pharmaceuticals



Assay Description
Stromelysin inhibitory activity is based on the hydrolysis of substance P by recombinant human stromelysin to generate a fragment, substance P 7-11, ...


J Med Chem 40: 2525-32 (1997)


Article DOI: 10.1021/jm960871c
BindingDB Entry DOI: 10.7270/Q2MW2FC7
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM13134
PNG
((2R)-2-[benzyl(4-methoxybenzene)sulfonamido]-3-cyc...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)[C@H](CC1CCCCC1)C(=O)NO |r|
Show InChI InChI=1S/C23H30N2O5S/c1-30-20-12-14-21(15-13-20)31(28,29)25(17-19-10-6-3-7-11-19)22(23(26)24-27)16-18-8-4-2-5-9-18/h3,6-7,10-15,18,22,27H,2,4-5,8-9,16-17H2,1H3,(H,24,26)/t22-/m1/s1
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44n/an/an/an/an/an/an/an/a



Novartis Pharmaceuticals



Assay Description
Stromelysin inhibitory activity is based on the hydrolysis of substance P by recombinant human stromelysin to generate a fragment, substance P 7-11, ...


J Med Chem 40: 2525-32 (1997)


Article DOI: 10.1021/jm960871c
BindingDB Entry DOI: 10.7270/Q2MW2FC7
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50057840
PNG
((5aR,11bS)-4,5,5a,6,7,11b-Hexahydro-2-thia-5-aza-c...)
Show SMILES Oc1cc2CC[C@H]3NCc4cscc4[C@@H]3c2cc1O
Show InChI InChI=1S/C15H15NO2S/c17-13-3-8-1-2-12-15(10(8)4-14(13)18)11-7-19-6-9(11)5-16-12/h3-4,6-7,12,15-18H,1-2,5H2/t12-,15+/m1/s1
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45n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against Dopamine receptor D1 like from rat caudate membrane using [125I]-SCH as radioligand


J Med Chem 40: 1585-99 (1997)


Article DOI: 10.1021/jm970038v
BindingDB Entry DOI: 10.7270/Q2Z89D2B
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50077634
PNG
((6aR,12bS)-3-Propyl-5,6,6a,7,8,12b-hexahydro-4,6-d...)
Show SMILES CCCc1ccc2[C@H]3[C@@H](CCc4cc(O)c(O)cc34)NCc2n1
Show InChI InChI=1S/C19H22N2O2/c1-2-3-12-5-6-13-16(21-12)10-20-15-7-4-11-8-17(22)18(23)9-14(11)19(13)15/h5-6,8-9,15,19-20,22-23H,2-4,7,10H2,1H3/t15-,19-/m1/s1
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45n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Potency in adenylate cyclase functional assay against Dopamine receptor D1


Bioorg Med Chem Lett 9: 1341-6 (1999)


BindingDB Entry DOI: 10.7270/Q2S75FH5
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM13137
PNG
((2R)-N-hydroxy-2-[(4-methoxybenzene)(pyridin-3-ylm...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)[C@H](CC(C)C)C(=O)NO |r|
Show InChI InChI=1S/C19H25N3O5S/c1-14(2)11-18(19(23)21-24)22(13-15-5-4-10-20-12-15)28(25,26)17-8-6-16(27-3)7-9-17/h4-10,12,14,18,24H,11,13H2,1-3H3,(H,21,23)/t18-/m1/s1
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46n/an/an/an/an/an/an/an/a



Novartis Pharmaceuticals



Assay Description
Stromelysin inhibitory activity is based on the hydrolysis of substance P by recombinant human stromelysin to generate a fragment, substance P 7-11, ...


J Med Chem 40: 2525-32 (1997)


Article DOI: 10.1021/jm960871c
BindingDB Entry DOI: 10.7270/Q2MW2FC7
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM13131
PNG
((2R)-2-[benzyl(4-methoxybenzene)sulfonamido]-3-(te...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)[C@H](COC(C)(C)C)C(=O)NO |r|
Show InChI InChI=1S/C21H28N2O6S/c1-21(2,3)29-15-19(20(24)22-25)23(14-16-8-6-5-7-9-16)30(26,27)18-12-10-17(28-4)11-13-18/h5-13,19,25H,14-15H2,1-4H3,(H,22,24)/t19-/m1/s1
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48n/an/an/an/an/an/an/an/a



Novartis Pharmaceuticals



Assay Description
Stromelysin inhibitory activity is based on the hydrolysis of substance P by recombinant human stromelysin to generate a fragment, substance P 7-11, ...


J Med Chem 40: 2525-32 (1997)


Article DOI: 10.1021/jm960871c
BindingDB Entry DOI: 10.7270/Q2MW2FC7
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50033114
PNG
((5aR,11bS)-2-Propyl-4,5,5a,6,7,11b-hexahydro-3-thi...)
Show SMILES CCCc1cc2[C@H]3[C@@H](CCc4cc(O)c(O)cc34)NCc2s1
Show InChI InChI=1S/C18H21NO2S/c1-2-3-11-7-13-17(22-11)9-19-14-5-4-10-6-15(20)16(21)8-12(10)18(13)14/h6-8,14,18-21H,2-5,9H2,1H3/t14-,18+/m1/s1
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49n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to Dopamine receptor D1 by using radioligand [125I]-SCH-23982 in HEK cells


Bioorg Med Chem Lett 9: 1341-6 (1999)


BindingDB Entry DOI: 10.7270/Q2S75FH5
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50077631
PNG
((6aR,12bS)-3-Methoxy-5,6,6a,7,8,12b-hexahydro-4,6-...)
Show SMILES COc1ccc2[C@H]3[C@@H](CCc4cc(O)c(O)cc34)NCc2n1
Show InChI InChI=1S/C17H18N2O3/c1-22-16-5-3-10-13(19-16)8-18-12-4-2-9-6-14(20)15(21)7-11(9)17(10)12/h3,5-7,12,17-18,20-21H,2,4,8H2,1H3/t12-,17-/m1/s1
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49n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Potency in adenylate cyclase functional assay against Dopamine receptor D1


Bioorg Med Chem Lett 9: 1341-6 (1999)


BindingDB Entry DOI: 10.7270/Q2S75FH5
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM13136
PNG
(2-[benzyl(4-methoxybenzene)sulfonamido]-N-hydroxy-...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)C(CCN1CCOCC1)C(=O)NO
Show InChI InChI=1S/C22H29N3O6S/c1-30-19-7-9-20(10-8-19)32(28,29)25(17-18-5-3-2-4-6-18)21(22(26)23-27)11-12-24-13-15-31-16-14-24/h2-10,21,27H,11-17H2,1H3,(H,23,26)
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50n/an/an/an/an/an/an/an/a



Novartis Pharmaceuticals



Assay Description
Stromelysin inhibitory activity is based on the hydrolysis of substance P by recombinant human stromelysin to generate a fragment, substance P 7-11, ...


J Med Chem 40: 2525-32 (1997)


Article DOI: 10.1021/jm960871c
BindingDB Entry DOI: 10.7270/Q2MW2FC7
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50408144
PNG
(CHEMBL2115373)
Show SMILES CC(C)(C)c1cc2[C@@H]3[C@H](CCc4cc(O)c(O)cc34)NCc2s1
Show InChI InChI=1S/C19H23NO2S/c1-19(2,3)17-8-12-16(23-17)9-20-13-5-4-10-6-14(21)15(22)7-11(10)18(12)13/h6-8,13,18,20-22H,4-5,9H2,1-3H3/t13-,18+/m0/s1
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51n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against Dopamine receptor D1 like from rat caudate membrane using [125I]-SCH as radioligand


J Med Chem 40: 1585-99 (1997)


Article DOI: 10.1021/jm970038v
BindingDB Entry DOI: 10.7270/Q2Z89D2B
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50057858
PNG
((5aR,11bR)-3-Propyl-4,5,5a,6,7,11b-hexahydro-1-thi...)
Show SMILES CCCc1csc2[C@H]3[C@@H](CCc4cc(O)c(O)cc34)NCc12
Show InChI InChI=1S/C18H21NO2S/c1-2-3-11-9-22-18-13(11)8-19-14-5-4-10-6-15(20)16(21)7-12(10)17(14)18/h6-7,9,14,17,19-21H,2-5,8H2,1H3/t14-,17-/m1/s1
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51n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against Dopamine receptor D2 like from rat caudate membrane using [3H]-spiperone as radioligand


J Med Chem 40: 1585-99 (1997)


Article DOI: 10.1021/jm970038v
BindingDB Entry DOI: 10.7270/Q2Z89D2B
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50057855
PNG
((5aS,11bR)-2-Isobutyl-4,5,5a,6,7,11b-hexahydro-3-t...)
Show SMILES CC(C)Cc1cc2[C@@H]3[C@H](CCc4cc(O)c(O)cc34)NCc2s1
Show InChI InChI=1S/C19H23NO2S/c1-10(2)5-12-7-14-18(23-12)9-20-15-4-3-11-6-16(21)17(22)8-13(11)19(14)15/h6-8,10,15,19-22H,3-5,9H2,1-2H3/t15-,19+/m0/s1
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52n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against Dopamine receptor D1 like from rat caudate membrane using [125I]-SCH as radioligand


J Med Chem 40: 1585-99 (1997)


Article DOI: 10.1021/jm970038v
BindingDB Entry DOI: 10.7270/Q2Z89D2B
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM13088
PNG
(2-[(4-butoxybenzene)(2-methylpropyl)sulfonamido]-N...)
Show SMILES CCCCOc1ccc(cc1)S(=O)(=O)N(CC(C)C)CC(=O)NO
Show InChI InChI=1S/C16H26N2O5S/c1-4-5-10-23-14-6-8-15(9-7-14)24(21,22)18(11-13(2)3)12-16(19)17-20/h6-9,13,20H,4-5,10-12H2,1-3H3,(H,17,19)
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58 -43.0n/an/an/an/an/a7.537



Novartis Pharmaceuticals



Assay Description
Stromelysin inhibitory activity is based on the hydrolysis of substance P by recombinant human stromelysin to generate a fragment, substance P 7-11, ...


J Med Chem 40: 2525-32 (1997)


Article DOI: 10.1021/jm960871c
BindingDB Entry DOI: 10.7270/Q2MW2FC7
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50057858
PNG
((5aR,11bR)-3-Propyl-4,5,5a,6,7,11b-hexahydro-1-thi...)
Show SMILES CCCc1csc2[C@H]3[C@@H](CCc4cc(O)c(O)cc34)NCc12
Show InChI InChI=1S/C18H21NO2S/c1-2-3-11-9-22-18-13(11)8-19-14-5-4-10-6-15(20)16(21)7-12(10)17(14)18/h6-7,9,14,17,19-21H,2-5,8H2,1H3/t14-,17-/m1/s1
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58n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against Dopamine receptor D1 like from rat caudate membrane using [125I]-SCH as radioligand


J Med Chem 40: 1585-99 (1997)


Article DOI: 10.1021/jm970038v
BindingDB Entry DOI: 10.7270/Q2Z89D2B
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM13091
PNG
(2-{[4-(cyclohexylmethoxy)benzene](2-methylpropyl)s...)
Show SMILES CC(C)CN(CC(=O)NO)S(=O)(=O)c1ccc(OCC2CCCCC2)cc1
Show InChI InChI=1S/C19H30N2O5S/c1-15(2)12-21(13-19(22)20-23)27(24,25)18-10-8-17(9-11-18)26-14-16-6-4-3-5-7-16/h8-11,15-16,23H,3-7,12-14H2,1-2H3,(H,20,22)
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61 -42.8n/an/an/an/an/a7.537



Novartis Pharmaceuticals



Assay Description
Stromelysin inhibitory activity is based on the hydrolysis of substance P by recombinant human stromelysin to generate a fragment, substance P 7-11, ...


J Med Chem 40: 2525-32 (1997)


Article DOI: 10.1021/jm960871c
BindingDB Entry DOI: 10.7270/Q2MW2FC7
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM13099
PNG
(2-[(cyclohexylmethyl)(4-methoxybenzene)sulfonamido...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC1CCCCC1)CC(=O)NO
Show InChI InChI=1S/C16H24N2O5S/c1-23-14-7-9-15(10-8-14)24(21,22)18(12-16(19)17-20)11-13-5-3-2-4-6-13/h7-10,13,20H,2-6,11-12H2,1H3,(H,17,19)
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61n/an/an/an/an/an/an/an/a



Novartis Pharmaceuticals



Assay Description
Stromelysin inhibitory activity is based on the hydrolysis of substance P by recombinant human stromelysin to generate a fragment, substance P 7-11, ...


J Med Chem 40: 2525-32 (1997)


Article DOI: 10.1021/jm960871c
BindingDB Entry DOI: 10.7270/Q2MW2FC7
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM13090
PNG
(2-{[4-(hexyloxy)benzene](2-methylpropyl)sulfonamid...)
Show SMILES CCCCCCOc1ccc(cc1)S(=O)(=O)N(CC(C)C)CC(=O)NO
Show InChI InChI=1S/C18H30N2O5S/c1-4-5-6-7-12-25-16-8-10-17(11-9-16)26(23,24)20(13-15(2)3)14-18(21)19-22/h8-11,15,22H,4-7,12-14H2,1-3H3,(H,19,21)
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63 -42.8n/an/an/an/an/a7.537



Novartis Pharmaceuticals



Assay Description
Stromelysin inhibitory activity is based on the hydrolysis of substance P by recombinant human stromelysin to generate a fragment, substance P 7-11, ...


J Med Chem 40: 2525-32 (1997)


Article DOI: 10.1021/jm960871c
BindingDB Entry DOI: 10.7270/Q2MW2FC7
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50077638
PNG
((6aR,12bS)-5,6,6a,7,8,12b-Hexahydro-4,6-diaza-benz...)
Show SMILES Oc1cc2CC[C@H]3NCc4ncccc4[C@@H]3c2cc1O
Show InChI InChI=1S/C16H16N2O2/c19-14-6-9-3-4-12-16(11(9)7-15(14)20)10-2-1-5-17-13(10)8-18-12/h1-2,5-7,12,16,18-20H,3-4,8H2/t12-,16-/m1/s1
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65n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Potency in adenylate cyclase functional assay against Dopamine receptor D1


Bioorg Med Chem Lett 9: 1341-6 (1999)


BindingDB Entry DOI: 10.7270/Q2S75FH5
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM13132
PNG
(2-[benzyl(4-methoxybenzene)sulfonamido]-N-hydroxy-...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)C(Cc1ccc(O)cc1)C(=O)NO
Show InChI InChI=1S/C23H24N2O6S/c1-31-20-11-13-21(14-12-20)32(29,30)25(16-18-5-3-2-4-6-18)22(23(27)24-28)15-17-7-9-19(26)10-8-17/h2-14,22,26,28H,15-16H2,1H3,(H,24,27)
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65n/an/an/an/an/an/an/an/a



Novartis Pharmaceuticals



Assay Description
Stromelysin inhibitory activity is based on the hydrolysis of substance P by recombinant human stromelysin to generate a fragment, substance P 7-11, ...


J Med Chem 40: 2525-32 (1997)


Article DOI: 10.1021/jm960871c
BindingDB Entry DOI: 10.7270/Q2MW2FC7
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM13095
PNG
(CGS 27023A Analog 23 | N-hydroxy-2-[(4-methoxybenz...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CCc1ccccc1)CC(=O)NO
Show InChI InChI=1S/C17H20N2O5S/c1-24-15-7-9-16(10-8-15)25(22,23)19(13-17(20)18-21)12-11-14-5-3-2-4-6-14/h2-10,21H,11-13H2,1H3,(H,18,20)
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66 -42.6n/an/an/an/an/a7.537



Novartis Pharmaceuticals



Assay Description
Stromelysin inhibitory activity is based on the hydrolysis of substance P by recombinant human stromelysin to generate a fragment, substance P 7-11, ...


J Med Chem 40: 2525-32 (1997)


Article DOI: 10.1021/jm960871c
BindingDB Entry DOI: 10.7270/Q2MW2FC7
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM13130
PNG
((2R)-2-[benzyl(4-methoxybenzene)sulfonamido]-6-(di...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)[C@H](CCCCN(C)C)C(=O)NO |r|
Show InChI InChI=1S/C22H31N3O5S/c1-24(2)16-8-7-11-21(22(26)23-27)25(17-18-9-5-4-6-10-18)31(28,29)20-14-12-19(30-3)13-15-20/h4-6,9-10,12-15,21,27H,7-8,11,16-17H2,1-3H3,(H,23,26)/t21-/m1/s1
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69n/an/an/an/an/an/an/an/a



Novartis Pharmaceuticals



Assay Description
Stromelysin inhibitory activity is based on the hydrolysis of substance P by recombinant human stromelysin to generate a fragment, substance P 7-11, ...


J Med Chem 40: 2525-32 (1997)


Article DOI: 10.1021/jm960871c
BindingDB Entry DOI: 10.7270/Q2MW2FC7
More data for this
Ligand-Target Pair
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