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PubMed code 9925722

Compile data set for download or QSAR
Found 18 hits of Enzyme Inhibition Constant Data   
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
Cholecystokinin receptor


(Mus musculus)
BDBM50073050
PNG
((S)-1-(3-Amino-pentanoyl)-2,3-dihydro-1H-indole-2-...)
Show SMILES CCCCNC(=O)[C@@H]1Cc2ccccc2N1C(=O)CC(N)CC
Show InChI InChI=1S/C18H27N3O2/c1-3-5-10-20-18(23)16-11-13-8-6-7-9-15(13)21(16)17(22)12-14(19)4-2/h6-9,14,16H,3-5,10-12,19H2,1-2H3,(H,20,23)/t14?,16-/m0/s1
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PubMed
7n/an/an/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity of the compound in Cholecystokinin type A receptor binding assay (iv) in mice


J Med Chem 42: 181-201 (1999)


Article DOI: 10.1021/jm980521l
BindingDB Entry DOI: 10.7270/Q2T43S8P
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50073046
PNG
(CHEMBL60116 | N-(5-{(R)-2-[(R)-2-(3-Chloro-phenyl)...)
Show SMILES CS(=O)(=O)Nc1cc(ccc1O)[C@@H](O)CN[C@H](Cc1cccc(Cl)c1)c1ccc(OC(F)F)cc1
Show InChI InChI=1S/C24H25ClF2N2O5S/c1-35(32,33)29-21-13-17(7-10-22(21)30)23(31)14-28-20(12-15-3-2-4-18(25)11-15)16-5-8-19(9-6-16)34-24(26)27/h2-11,13,20,23-24,28-31H,12,14H2,1H3/t20-,23+/m1/s1
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9n/an/an/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards human Beta-3 adrenergic receptor


J Med Chem 42: 181-201 (1999)


Article DOI: 10.1021/jm980521l
BindingDB Entry DOI: 10.7270/Q2T43S8P
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50073048
PNG
(2-[4-(2-Oxo-2,3-dihydro-benzoimidazol-1-yl)-piperi...)
Show SMILES O=C(CN1CCC(CC1)n1c2ccccc2[nH]c1=O)Nc1ccc2C(=O)c3ccccc3-c2c1
Show InChI InChI=1S/C27H24N4O3/c32-25(28-17-9-10-21-22(15-17)19-5-1-2-6-20(19)26(21)33)16-30-13-11-18(12-14-30)31-24-8-4-3-7-23(24)29-27(31)34/h1-10,15,18H,11-14,16H2,(H,28,32)(H,29,34)
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n/an/a 0.470n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
The compound was tested for the binding affinity against Neuropeptide Y receptor type 5 in rat


J Med Chem 42: 181-201 (1999)


Article DOI: 10.1021/jm980521l
BindingDB Entry DOI: 10.7270/Q2T43S8P
More data for this
Ligand-Target Pair
NPY1R


(RAT)
BDBM50065468
PNG
(2-(4-Chloro-phenoxymethyl)-4-(3-piperidin-1-yl-pro...)
Show SMILES Clc1ccc(OCc2nc3c(OCCCN4CCCCC4)cccc3n2CCCC2CCCNC2)cc1
Show InChI InChI=1/C30H41ClN4O2/c31-25-12-14-26(15-13-25)37-23-29-33-30-27(35(29)20-6-9-24-8-5-16-32-22-24)10-4-11-28(30)36-21-7-19-34-17-2-1-3-18-34/h4,10-15,24,32H,1-3,5-9,16-23H2
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n/an/a 1.70n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
The compound was tested for the binding affinity against Neuropeptide Y receptor type 1 in rat


J Med Chem 42: 181-201 (1999)


Article DOI: 10.1021/jm980521l
BindingDB Entry DOI: 10.7270/Q2T43S8P
More data for this
Ligand-Target Pair
NPY5R


(Rat 6B)
BDBM50073051
PNG
(CHEMBL60319 | N-[5-(3,4-Dimethoxy-phenyl)-1H-pyraz...)
Show SMILES COc1ccc(cc1OC)-c1cc(NC(=O)CC23CCCC2Cc2ccccc2C3)[nH]n1
Show InChI InChI=1/C26H29N3O3/c1-31-22-10-9-18(13-23(22)32-2)21-14-24(29-28-21)27-25(30)16-26-11-5-8-20(26)12-17-6-3-4-7-19(17)15-26/h3-4,6-7,9-10,13-14,20H,5,8,11-12,15-16H2,1-2H3,(H2,27,28,29,30)
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n/an/a 2.30n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
The compound was tested for the binding affinity against Neuropeptide Y receptor type 5 in rat


J Med Chem 42: 181-201 (1999)


Article DOI: 10.1021/jm980521l
BindingDB Entry DOI: 10.7270/Q2T43S8P
More data for this
Ligand-Target Pair
NPY5R


(Rat 6B)
BDBM50073055
PNG
(2-Methyl-4-pyrrolidin-1-yl-6-[(E)-2-(3-trifluorome...)
Show SMILES Cc1cc(cc(\C=C\c2cccc(c2)C(F)(F)F)n1)N1CCCC1
Show InChI InChI=1S/C19H19F3N2/c1-14-11-18(24-9-2-3-10-24)13-17(23-14)8-7-15-5-4-6-16(12-15)19(20,21)22/h4-8,11-13H,2-3,9-10H2,1H3/b8-7+
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n/an/a 4.10n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
The compound was tested for the binding affinity against Neuropeptide Y receptor type 5 in rat


J Med Chem 42: 181-201 (1999)


Article DOI: 10.1021/jm980521l
BindingDB Entry DOI: 10.7270/Q2T43S8P
More data for this
Ligand-Target Pair
NPY5R


(Rat 6B)
BDBM50073047
PNG
(CHEMBL291666 | N-[5-(3,4-Dimethoxy-phenyl)-1H-pyra...)
Show SMILES COc1ccc(cc1OC)-c1cc(NC(=O)Cc2ccc3ccccc3c2)[nH]n1
Show InChI InChI=1S/C23H21N3O3/c1-28-20-10-9-18(13-21(20)29-2)19-14-22(26-25-19)24-23(27)12-15-7-8-16-5-3-4-6-17(16)11-15/h3-11,13-14H,12H2,1-2H3,(H2,24,25,26,27)
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n/an/a 8.30n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
The compound was tested for the binding affinity against Neuropeptide Y receptor type 5 in rat


J Med Chem 42: 181-201 (1999)


Article DOI: 10.1021/jm980521l
BindingDB Entry DOI: 10.7270/Q2T43S8P
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50073054
PNG
(1-[4-Ethyl-1-(3-methoxymethoxy-phenyl)-cyclohexyl]...)
Show SMILES CC[C@H]1CC[C@](CC1)(N1CCN(CC1)c1ccccc1)c1cccc(OCOC)c1
Show InChI InChI=1S/C26H36N2O2/c1-3-22-12-14-26(15-13-22,23-8-7-11-25(20-23)30-21-29-2)28-18-16-27(17-19-28)24-9-5-4-6-10-24/h4-11,20,22H,3,12-19,21H2,1-2H3/t22-,26+
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n/an/a 39n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
The compound was tested for the binding affinity against Neuropeptide Y receptor type 1


J Med Chem 42: 181-201 (1999)


Article DOI: 10.1021/jm980521l
BindingDB Entry DOI: 10.7270/Q2T43S8P
More data for this
Ligand-Target Pair
NPY1R


(RAT)
BDBM50073048
PNG
(2-[4-(2-Oxo-2,3-dihydro-benzoimidazol-1-yl)-piperi...)
Show SMILES O=C(CN1CCC(CC1)n1c2ccccc2[nH]c1=O)Nc1ccc2C(=O)c3ccccc3-c2c1
Show InChI InChI=1S/C27H24N4O3/c32-25(28-17-9-10-21-22(15-17)19-5-1-2-6-20(19)26(21)33)16-30-13-11-18(12-14-30)31-24-8-4-3-7-23(24)29-27(31)34/h1-10,15,18H,11-14,16H2,(H,28,32)(H,29,34)
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n/an/a>5.00E+3n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
The compound was tested for the binding affinity against NPY1 (Neuropeptide Y receptor type 1)


J Med Chem 42: 181-201 (1999)


Article DOI: 10.1021/jm980521l
BindingDB Entry DOI: 10.7270/Q2T43S8P
More data for this
Ligand-Target Pair
NPY2R


(RAT)
BDBM50073048
PNG
(2-[4-(2-Oxo-2,3-dihydro-benzoimidazol-1-yl)-piperi...)
Show SMILES O=C(CN1CCC(CC1)n1c2ccccc2[nH]c1=O)Nc1ccc2C(=O)c3ccccc3-c2c1
Show InChI InChI=1S/C27H24N4O3/c32-25(28-17-9-10-21-22(15-17)19-5-1-2-6-20(19)26(21)33)16-30-13-11-18(12-14-30)31-24-8-4-3-7-23(24)29-27(31)34/h1-10,15,18H,11-14,16H2,(H,28,32)(H,29,34)
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n/an/a>5.00E+3n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
The compound was tested for the binding affinity against Neuropeptide Y receptor type 2


J Med Chem 42: 181-201 (1999)


Article DOI: 10.1021/jm980521l
BindingDB Entry DOI: 10.7270/Q2T43S8P
More data for this
Ligand-Target Pair
PPYR1


(RAT)
BDBM50073048
PNG
(2-[4-(2-Oxo-2,3-dihydro-benzoimidazol-1-yl)-piperi...)
Show SMILES O=C(CN1CCC(CC1)n1c2ccccc2[nH]c1=O)Nc1ccc2C(=O)c3ccccc3-c2c1
Show InChI InChI=1S/C27H24N4O3/c32-25(28-17-9-10-21-22(15-17)19-5-1-2-6-20(19)26(21)33)16-30-13-11-18(12-14-30)31-24-8-4-3-7-23(24)29-27(31)34/h1-10,15,18H,11-14,16H2,(H,28,32)(H,29,34)
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n/an/a>5.00E+3n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
The compound was tested for the binding affinity against Neuropeptide Y receptor type 4


J Med Chem 42: 181-201 (1999)


Article DOI: 10.1021/jm980521l
BindingDB Entry DOI: 10.7270/Q2T43S8P
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50073053
PNG
((2-{2-[(R)-2-(3-Chloro-phenyl)-2-hydroxy-ethylamin...)
Show SMILES O[C@@H](CNCCc1cc2cccc(OCC(O)=O)c2[nH]1)c1cccc(Cl)c1
Show InChI InChI=1S/C20H21ClN2O4/c21-15-5-1-3-13(9-15)17(24)11-22-8-7-16-10-14-4-2-6-18(20(14)23-16)27-12-19(25)26/h1-6,9-10,17,22-24H,7-8,11-12H2,(H,25,26)/t17-/m0/s1
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n/an/an/an/a 0.0600n/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards human Beta-3 adrenergic receptor


J Med Chem 42: 181-201 (1999)


Article DOI: 10.1021/jm980521l
BindingDB Entry DOI: 10.7270/Q2T43S8P
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50072375
PNG
(4-(3-Hexyl-ureido)-N-{4-[2-((R)-2-hydroxy-2-pyridi...)
Show SMILES CCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1
Show InChI InChI=1S/C28H37N5O4S/c1-2-3-4-5-18-31-28(35)32-24-12-14-26(15-13-24)38(36,37)33-25-10-8-22(9-11-25)16-19-30-21-27(34)23-7-6-17-29-20-23/h6-15,17,20,27,30,33-34H,2-5,16,18-19,21H2,1H3,(H2,31,32,35)/t27-/m0/s1
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n/an/an/an/a 6.30n/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards human Beta-3 adrenergic receptor


J Med Chem 42: 181-201 (1999)


Article DOI: 10.1021/jm980521l
BindingDB Entry DOI: 10.7270/Q2T43S8P
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50070132
PNG
((S)-N-(4-(2-(2-hydroxy-3-(4-hydroxyphenoxy)propyla...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccccc2)cc1)COc1ccc(O)cc1
Show InChI InChI=1S/C23H26N2O5S/c26-20-10-12-22(13-11-20)30-17-21(27)16-24-15-14-18-6-8-19(9-7-18)25-31(28,29)23-4-2-1-3-5-23/h1-13,21,24-27H,14-17H2/t21-/m0/s1
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n/an/an/an/a 6.30n/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards human Beta-3 adrenergic receptor


J Med Chem 42: 181-201 (1999)


Article DOI: 10.1021/jm980521l
BindingDB Entry DOI: 10.7270/Q2T43S8P
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50073052
PNG
(5-{2-[(R)-2-(6-Amino-pyridin-3-yl)-2-hydroxy-ethyl...)
Show SMILES Cn1c(cc2cc(OCCNC[C@H](O)c3ccc(N)nc3)ccc12)C(O)=O
Show InChI InChI=1S/C19H22N4O4/c1-23-15-4-3-14(8-13(15)9-16(23)19(25)26)27-7-6-21-11-17(24)12-2-5-18(20)22-10-12/h2-5,8-10,17,21,24H,6-7,11H2,1H3,(H2,20,22)(H,25,26)/t17-/m0/s1
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n/an/an/an/a 300n/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards human Beta-3 adrenergic receptor


J Med Chem 42: 181-201 (1999)


Article DOI: 10.1021/jm980521l
BindingDB Entry DOI: 10.7270/Q2T43S8P
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50070156
PNG
((S)-4-(3-hexylureido)-N-(4-(2-(1-hydroxy-2-(4-hydr...)
Show SMILES CCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1
Show InChI InChI=1S/C30H40N4O6S/c1-2-3-4-5-19-32-30(37)33-24-10-16-29(17-11-24)41(38,39)34-25-8-6-23(7-9-25)18-20-31-21-27(36)22-40-28-14-12-26(35)13-15-28/h6-17,27,31,34-36H,2-5,18-22H2,1H3,(H2,32,33,37)/t27-/m0/s1
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n/an/an/an/a 0.430n/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards human Beta-3 adrenergic receptor


J Med Chem 42: 181-201 (1999)


Article DOI: 10.1021/jm980521l
BindingDB Entry DOI: 10.7270/Q2T43S8P
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50073045
PNG
((4-{(R)-2-[(R)-2-(3-Chloro-phenyl)-2-hydroxy-ethyl...)
Show SMILES C[C@H](Cc1ccc(OCS(O)(=O)=O)cc1)NC[C@H](O)c1cccc(Cl)c1
Show InChI InChI=1S/C18H22ClNO5S/c1-13(20-11-18(21)15-3-2-4-16(19)10-15)9-14-5-7-17(8-6-14)25-12-26(22,23)24/h2-8,10,13,18,20-21H,9,11-12H2,1H3,(H,22,23,24)/t13-,18+/m1/s1
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n/an/an/an/a 60n/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards human Beta-3 adrenergic receptor


J Med Chem 42: 181-201 (1999)


Article DOI: 10.1021/jm980521l
BindingDB Entry DOI: 10.7270/Q2T43S8P
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50073049
PNG
(6-(4-{2-[(S)-2-Hydroxy-3-(2-oxo-2,3-dihydro-1H-ben...)
Show SMILES CC(C)(Cc1ccc(Oc2ccc(cn2)C(N)=O)cc1)NC[C@H](O)COc1cccc2[nH]c(=O)[nH]c12
Show InChI InChI=1S/C26H29N5O5/c1-26(2,29-14-18(32)15-35-21-5-3-4-20-23(21)31-25(34)30-20)12-16-6-9-19(10-7-16)36-22-11-8-17(13-28-22)24(27)33/h3-11,13,18,29,32H,12,14-15H2,1-2H3,(H2,27,33)(H2,30,31,34)/t18-/m0/s1
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n/an/an/an/a 30n/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards human Beta-3 adrenergic receptor


J Med Chem 42: 181-201 (1999)


Article DOI: 10.1021/jm980521l
BindingDB Entry DOI: 10.7270/Q2T43S8P
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%