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Compile Data Set for Download or QSAR

Found 437 hits with Last Name = 'abboa-offei' and Initial = 'b'   
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
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM11542
PNG
((1S,3S,5S)-2-[(2S)-2-amino-2-(3-hydroxyadamantan-1...)
Show SMILES N[C@H](C(=O)N1[C@H]2C[C@H]2C[C@H]1C#N)C12CC3CC(CC(O)(C3)C1)C2
Show InChI InChI=1S/C18H25N3O2/c19-8-13-2-12-3-14(12)21(13)16(22)15(20)17-4-10-1-11(5-17)7-18(23,6-10)9-17/h10-15,23H,1-7,9,20H2/t10?,11?,12-,13+,14+,15-,17?,18?/m1/s1
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PubMed
0.600 -52.1n/an/an/an/an/a7.422



Bristol-Myers Squibb Pharmaceutical Research Institute



Assay Description
Inhibition of human DPP-IV activity was measured under steady-state conditions by following the absorbance increase at 405 nm upon the substrate clea...


J Med Chem 48: 5025-37 (2005)


Article DOI: 10.1021/jm050261p
BindingDB Entry DOI: 10.7270/Q2FN14DM
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM11541
PNG
((1S,3S,5S)-2-[(2S)-2-(adamantan-1-yl)-2-aminoacety...)
Show SMILES N[C@H](C(=O)N1[C@H]2C[C@H]2C[C@H]1C#N)C12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C18H25N3O/c19-9-14-4-13-5-15(13)21(14)17(22)16(20)18-6-10-1-11(7-18)3-12(2-10)8-18/h10-16H,1-8,20H2/t10?,11?,12?,13-,14+,15+,16-,18?/m1/s1
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0.900 -51.1n/an/an/an/an/a7.422



Bristol-Myers Squibb Pharmaceutical Research Institute



Assay Description
Inhibition of human DPP-IV activity was measured under steady-state conditions by following the absorbance increase at 405 nm upon the substrate clea...


J Med Chem 48: 5025-37 (2005)


Article DOI: 10.1021/jm050261p
BindingDB Entry DOI: 10.7270/Q2FN14DM
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM11530
PNG
((1S,3S,5S)-2-[(2S)-2-amino-2-(1-ethenylcyclohexyl)...)
Show SMILES N[C@H](C(=O)N1[C@H]2C[C@H]2C[C@H]1C#N)C1(CCCCC1)C=C
Show InChI InChI=1S/C16H23N3O/c1-2-16(6-4-3-5-7-16)14(18)15(20)19-12(10-17)8-11-9-13(11)19/h2,11-14H,1,3-9,18H2/t11-,12+,13+,14-/m1/s1
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1.40 -50.0n/an/an/an/an/a7.422



Bristol-Myers Squibb Pharmaceutical Research Institute



Assay Description
Inhibition of human DPP-IV activity was measured under steady-state conditions by following the absorbance increase at 405 nm upon the substrate clea...


J Med Chem 48: 5025-37 (2005)


Article DOI: 10.1021/jm050261p
BindingDB Entry DOI: 10.7270/Q2FN14DM
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM11544
PNG
((1S,3S,5S)-2-[(2S)-2-amino-2-(3-fluoroadamantan-1-...)
Show SMILES N[C@H](C(=O)N1[C@H]2C[C@H]2C[C@H]1C#N)C12CC3CC(CC(F)(C3)C1)C2
Show InChI InChI=1S/C18H24FN3O/c19-18-6-10-1-11(7-18)5-17(4-10,9-18)15(21)16(23)22-13(8-20)2-12-3-14(12)22/h10-15H,1-7,9,21H2/t10?,11?,12-,13+,14+,15-,17?,18?/m1/s1
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1.80 -49.4n/an/an/an/an/a7.422



Bristol-Myers Squibb Pharmaceutical Research Institute



Assay Description
Inhibition of human DPP-IV activity was measured under steady-state conditions by following the absorbance increase at 405 nm upon the substrate clea...


J Med Chem 48: 5025-37 (2005)


Article DOI: 10.1021/jm050261p
BindingDB Entry DOI: 10.7270/Q2FN14DM
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (human))
BDBM50106836
PNG
(CHEMBL105758 | N-(5-{(R)-2-[(R)-1-(4-Difluorometho...)
Show SMILES CS(=O)(=O)Nc1cc(ccc1O)[C@@H](O)CN[C@H](Cc1ccccc1)c1ccc(OC(F)F)c2ccccc12
Show InChI InChI=1S/C28H28F2N2O5S/c1-38(35,36)32-24-16-19(11-13-25(24)33)26(34)17-31-23(15-18-7-3-2-4-8-18)21-12-14-27(37-28(29)30)22-10-6-5-9-20(21)22/h2-14,16,23,26,28,31-34H,15,17H2,1H3/t23-,26+/m1/s1
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2n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to CHO cells expressing the cloned human beta-3 adrenergic receptor in the presence of [125I]-iodocyanopindolol


Bioorg Med Chem Lett 11: 3041-4 (2001)


Article DOI: 10.1016/s0960-894x(01)00629-1
BindingDB Entry DOI: 10.7270/Q2794402
More data for this
Ligand-Target Pair
EDNRA


(RAT)
BDBM50068673
PNG
(2'-Formylaminomethyl-4'-isobutyl-biphenyl-2-sulfon...)
Show SMILES CC(C)Cc1ccc(c(CNC=O)c1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C
Show InChI InChI=1S/C23H27N3O4S/c1-15(2)11-18-9-10-20(19(12-18)13-24-14-27)21-7-5-6-8-22(21)31(28,29)26-23-16(3)17(4)25-30-23/h5-10,12,14-15,26H,11,13H2,1-4H3,(H,24,27)
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2n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Ability to inhibit binding of [125I]ET1 to membranes prepared from A10 rat thoracic aorta smooth muscle Endothelin A receptor


J Med Chem 41: 5198-218 (1999)


Article DOI: 10.1021/jm970872k
BindingDB Entry DOI: 10.7270/Q2J9672R
More data for this
Ligand-Target Pair
Dipeptidyl peptidase IV


(Sus scrofa (pig))
BDBM50287059
PNG
((S)-1-(2-Amino-3-methyl-pentanoyl)-pyrrolidine-2-c...)
Show SMILES CCC(C)C(N)C(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C11H19N3O/c1-3-8(2)10(13)11(15)14-6-4-5-9(14)7-12/h8-10H,3-6,13H2,1-2H3/t8?,9-,10?/m0/s1
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2n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of porcine Dipeptidylpeptidase IV.


J Med Chem 47: 2587-98 (2004)


Article DOI: 10.1021/jm049924d
BindingDB Entry DOI: 10.7270/Q2FT8MSQ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM11543
PNG
((1S,3S,5S)-2-[(2S)-2-amino-2-(3,5-dihydroxyadamant...)
Show SMILES N[C@H](C(=O)N1[C@H]2C[C@H]2C[C@H]1C#N)C12CC3CC(O)(CC(O)(C3)C1)C2
Show InChI InChI=1S/C18H25N3O3/c19-6-12-1-11-2-13(11)21(12)15(22)14(20)16-3-10-4-17(23,7-16)9-18(24,5-10)8-16/h10-14,23-24H,1-5,7-9,20H2/t10?,11-,12+,13+,14-,16?,17?,18?/m1/s1
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2.10 -49.0n/an/an/an/an/a7.422



Bristol-Myers Squibb Pharmaceutical Research Institute



Assay Description
Inhibition of human DPP-IV activity was measured under steady-state conditions by following the absorbance increase at 405 nm upon the substrate clea...


J Med Chem 48: 5025-37 (2005)


Article DOI: 10.1021/jm050261p
BindingDB Entry DOI: 10.7270/Q2FN14DM
More data for this
Ligand-Target Pair
EDNRA


(RAT)
BDBM50068706
PNG
(6-(2-Hydroxy-ethoxy)-4'-isobutyl-biphenyl-2-sulfon...)
Show SMILES CC(C)Cc1ccc(cc1)-c1c(OCCO)cccc1S(=O)(=O)Nc1onc(C)c1C
Show InChI InChI=1S/C23H28N2O5S/c1-15(2)14-18-8-10-19(11-9-18)22-20(29-13-12-26)6-5-7-21(22)31(27,28)25-23-16(3)17(4)24-30-23/h5-11,15,25-26H,12-14H2,1-4H3
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2.70n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Ability to inhibit binding of [125I]ET1 to membranes prepared from A10 rat thoracic aorta smooth muscle Endothelin A receptor


J Med Chem 41: 5198-218 (1999)


Article DOI: 10.1021/jm970872k
BindingDB Entry DOI: 10.7270/Q2J9672R
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (human))
BDBM50214244
PNG
(CHEMBL250978 | N-(5-((R)-4-((R)-1-(3,4-dimethoxyph...)
Show SMILES COc1ccc(cc1OC)[C@@H](Cc1ccccc1)NC[C@H](O)CC(=O)c1ccc(O)c(NS(C)(=O)=O)c1
Show InChI InChI=1S/C27H32N2O7S/c1-35-26-12-10-19(15-27(26)36-2)22(13-18-7-5-4-6-8-18)28-17-21(30)16-25(32)20-9-11-24(31)23(14-20)29-37(3,33)34/h4-12,14-15,21-22,28-31H,13,16-17H2,1-3H3/t21-,22-/m1/s1
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3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]iodocyanopindolol from cloned human adrenergic beta-3 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 4290-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.030
BindingDB Entry DOI: 10.7270/Q2M61JZT
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM11529
PNG
((1S,3S,5S)-2-[(2S)-2-amino-2-(1-ethenylcyclopentyl...)
Show SMILES N[C@H](C(=O)N1[C@H]2C[C@H]2C[C@H]1C#N)C1(CCCC1)C=C
Show InChI InChI=1S/C15H21N3O/c1-2-15(5-3-4-6-15)13(17)14(19)18-11(9-16)7-10-8-12(10)18/h2,10-13H,1,3-8,17H2/t10-,11+,12+,13-/m1/s1
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3.90 -47.5n/an/an/an/an/a7.422



Bristol-Myers Squibb Pharmaceutical Research Institute



Assay Description
Inhibition of human DPP-IV activity was measured under steady-state conditions by following the absorbance increase at 405 nm upon the substrate clea...


J Med Chem 48: 5025-37 (2005)


Article DOI: 10.1021/jm050261p
BindingDB Entry DOI: 10.7270/Q2FN14DM
More data for this
Ligand-Target Pair
Dipeptidyl peptidase IV


(Sus scrofa (pig))
BDBM50145999
PNG
((1S,5S)-2-(2-Amino-2-cyclopentyl-acetyl)-2-aza-bic...)
Show SMILES NC(C1CCCC1)C(=O)N1[C@H]2C[C@H]2CC1C#N
Show InChI InChI=1S/C13H19N3O/c14-7-10-5-9-6-11(9)16(10)13(17)12(15)8-3-1-2-4-8/h8-12H,1-6,15H2/t9-,10?,11+,12?/m1/s1
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4n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of porcine Dipeptidylpeptidase IV.


J Med Chem 47: 2587-98 (2004)


Article DOI: 10.1021/jm049924d
BindingDB Entry DOI: 10.7270/Q2FT8MSQ
More data for this
Ligand-Target Pair
EDNRA


(RAT)
BDBM50068674
PNG
(2'-Amino-4'-isobutyl-biphenyl-2-sulfonic acid (3,4...)
Show SMILES CC(C)Cc1ccc(c(N)c1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C
Show InChI InChI=1S/C21H25N3O3S/c1-13(2)11-16-9-10-17(19(22)12-16)18-7-5-6-8-20(18)28(25,26)24-21-14(3)15(4)23-27-21/h5-10,12-13,24H,11,22H2,1-4H3
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4.70n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Ability to inhibit binding of [125I]ET1 to membranes prepared from A10 rat thoracic aorta smooth muscle Endothelin A receptor


J Med Chem 41: 5198-218 (1999)


Article DOI: 10.1021/jm970872k
BindingDB Entry DOI: 10.7270/Q2J9672R
More data for this
Ligand-Target Pair
EDNRA


(RAT)
BDBM50068720
PNG
(6-Hydroxy-4'-isobutyl-biphenyl-2-sulfonic acid (3,...)
Show SMILES CC(C)Cc1ccc(cc1)-c1c(O)cccc1S(=O)(=O)Nc1onc(C)c1C
Show InChI InChI=1S/C21H24N2O4S/c1-13(2)12-16-8-10-17(11-9-16)20-18(24)6-5-7-19(20)28(25,26)23-21-14(3)15(4)22-27-21/h5-11,13,23-24H,12H2,1-4H3
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5n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Ability to inhibit binding of [125I]ET1 to membranes prepared from A10 rat thoracic aorta smooth muscle Endothelin A receptor


J Med Chem 41: 5198-218 (1999)


Article DOI: 10.1021/jm970872k
BindingDB Entry DOI: 10.7270/Q2J9672R
More data for this
Ligand-Target Pair
EDNRA


(RAT)
BDBM50068713
PNG
(4'-Isobutyl-2'-methyl-biphenyl-2-sulfonic acid (3,...)
Show SMILES CC(C)Cc1ccc(c(C)c1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C
Show InChI InChI=1S/C22H26N2O3S/c1-14(2)12-18-10-11-19(15(3)13-18)20-8-6-7-9-21(20)28(25,26)24-22-16(4)17(5)23-27-22/h6-11,13-14,24H,12H2,1-5H3
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5n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Ability to inhibit binding of [125I]ET1 to membranes prepared from A10 rat thoracic aorta smooth muscle Endothelin A receptor


J Med Chem 41: 5198-218 (1999)


Article DOI: 10.1021/jm970872k
BindingDB Entry DOI: 10.7270/Q2J9672R
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (human))
BDBM50214246
PNG
(CHEMBL401135 | N-(5-((R)-4-((R)-1-(4-(difluorometh...)
Show SMILES CS(=O)(=O)Nc1cc(ccc1O)C(=O)C[C@@H](O)CN[C@H](Cc1ccccc1)c1ccc(OC(F)F)cc1
Show InChI InChI=1S/C26H28F2N2O6S/c1-37(34,35)30-23-14-19(9-12-24(23)32)25(33)15-20(31)16-29-22(13-17-5-3-2-4-6-17)18-7-10-21(11-8-18)36-26(27)28/h2-12,14,20,22,26,29-32H,13,15-16H2,1H3/t20-,22-/m1/s1
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5n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]iodocyanopindolol from cloned human adrenergic beta-3 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 4290-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.030
BindingDB Entry DOI: 10.7270/Q2M61JZT
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM11535
PNG
((1S,3S,5S)-2-[(2S)-2-amino-2-(1-ethylcyclopentyl)a...)
Show SMILES CCC1(CCCC1)[C@H](N)C(=O)N1[C@H]2C[C@H]2C[C@H]1C#N
Show InChI InChI=1S/C15H23N3O/c1-2-15(5-3-4-6-15)13(17)14(19)18-11(9-16)7-10-8-12(10)18/h10-13H,2-8,17H2,1H3/t10-,11+,12+,13-/m1/s1
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5.5 -46.7n/an/an/an/an/a7.422



Bristol-Myers Squibb Pharmaceutical Research Institute



Assay Description
Inhibition of human DPP-IV activity was measured under steady-state conditions by following the absorbance increase at 405 nm upon the substrate clea...


J Med Chem 48: 5025-37 (2005)


Article DOI: 10.1021/jm050261p
BindingDB Entry DOI: 10.7270/Q2FN14DM
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (human))
BDBM50214213
PNG
(CHEMBL399329 | N-(5-((S)-3-((R)-1-(3,4-dimethoxyph...)
Show SMILES COc1ccc(cc1OC)[C@@H](Cc1ccccc1)NC[C@@H](O)Cc1ccc(O)c(NS(C)(=O)=O)c1
Show InChI InChI=1S/C26H32N2O6S/c1-33-25-12-10-20(16-26(25)34-2)22(14-18-7-5-4-6-8-18)27-17-21(29)13-19-9-11-24(30)23(15-19)28-35(3,31)32/h4-12,15-16,21-22,27-30H,13-14,17H2,1-3H3/t21-,22+/m0/s1
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6n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]iodocyanopindolol from cloned human adrenergic beta-3 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 4290-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.030
BindingDB Entry DOI: 10.7270/Q2M61JZT
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (human))
BDBM50214234
PNG
(CHEMBL250755 | N-(5-((S)-3-((R)-2-(3-chlorophenyl)...)
Show SMILES COc1ccc(cc1OC)[C@@H](Cc1cccc(Cl)c1)NC[C@@H](O)Cc1ccc(O)c(NS(C)(=O)=O)c1
Show InChI InChI=1S/C26H31ClN2O6S/c1-34-25-10-8-19(15-26(25)35-2)22(13-17-5-4-6-20(27)11-17)28-16-21(30)12-18-7-9-24(31)23(14-18)29-36(3,32)33/h4-11,14-15,21-22,28-31H,12-13,16H2,1-3H3/t21-,22+/m0/s1
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6n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]iodocyanopindolol from cloned human adrenergic beta-3 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 4290-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.030
BindingDB Entry DOI: 10.7270/Q2M61JZT
More data for this
Ligand-Target Pair
EDNRA


(RAT)
BDBM50068740
PNG
(2'-Ethylamino-4'-isobutyl-biphenyl-2-sulfonic acid...)
Show SMILES CCNc1cc(CC(C)C)ccc1-c1ccccc1S(=O)(=O)Nc1onc(C)c1C
Show InChI InChI=1S/C23H29N3O3S/c1-6-24-21-14-18(13-15(2)3)11-12-19(21)20-9-7-8-10-22(20)30(27,28)26-23-16(4)17(5)25-29-23/h7-12,14-15,24,26H,6,13H2,1-5H3
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6.30n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Ability to inhibit binding of [125I]ET1 to membranes prepared from A10 rat thoracic aorta smooth muscle Endothelin A receptor


J Med Chem 41: 5198-218 (1999)


Article DOI: 10.1021/jm970872k
BindingDB Entry DOI: 10.7270/Q2J9672R
More data for this
Ligand-Target Pair
EDNRA


(RAT)
BDBM50068697
PNG
(2'-(2-Hydroxy-ethylamino)-4'-isobutyl-biphenyl-2-s...)
Show SMILES CC(C)Cc1ccc(c(NCCO)c1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C
Show InChI InChI=1S/C23H29N3O4S/c1-15(2)13-18-9-10-19(21(14-18)24-11-12-27)20-7-5-6-8-22(20)31(28,29)26-23-16(3)17(4)25-30-23/h5-10,14-15,24,26-27H,11-13H2,1-4H3
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6.40n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Ability to inhibit binding of [125I]ET1 to membranes prepared from A10 rat thoracic aorta smooth muscle Endothelin A receptor


J Med Chem 41: 5198-218 (1999)


Article DOI: 10.1021/jm970872k
BindingDB Entry DOI: 10.7270/Q2J9672R
More data for this
Ligand-Target Pair
Dipeptidyl peptidase IV


(Sus scrofa (pig))
BDBM50146002
PNG
((S)-2-((S)-2-Amino-3-methyl-3-(S)-methyl-butyryl)-...)
Show SMILES CC(C)(C)[C@H](N)C(=O)N1[C@H]2C[C@H]2CC1C#N
Show InChI InChI=1S/C12H19N3O/c1-12(2,3)10(14)11(16)15-8(6-13)4-7-5-9(7)15/h7-10H,4-5,14H2,1-3H3/t7-,8?,9+,10-/m1/s1
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7n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of porcine Dipeptidylpeptidase IV.


J Med Chem 47: 2587-98 (2004)


Article DOI: 10.1021/jm049924d
BindingDB Entry DOI: 10.7270/Q2FT8MSQ
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (human))
BDBM50214242
PNG
(CHEMBL447786 | N-(5-((R)-3-((S)-3-(2-chlorophenyl)...)
Show SMILES COc1ccc(cc1OC)[C@H](CCc1ccccc1Cl)NC[C@H](O)Cc1ccc(O)c(NS(C)(=O)=O)c1
Show InChI InChI=1S/C27H33ClN2O6S/c1-35-26-13-10-20(16-27(26)36-2)23(11-9-19-6-4-5-7-22(19)28)29-17-21(31)14-18-8-12-25(32)24(15-18)30-37(3,33)34/h4-8,10,12-13,15-16,21,23,29-32H,9,11,14,17H2,1-3H3/t21-,23+/m1/s1
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7n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]iodocyanopindolol from cloned human adrenergic beta-3 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 4290-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.030
BindingDB Entry DOI: 10.7270/Q2M61JZT
More data for this
Ligand-Target Pair
Dipeptidyl peptidase IV


(Sus scrofa (pig))
BDBM50146015
PNG
((1S,5S)-2-[2-Amino-2-(1-methyl-cyclopentyl)-acetyl...)
Show SMILES CC1(CCCC1)C(N)C(=O)N1[C@H]2C[C@H]2CC1C#N
Show InChI InChI=1S/C14H21N3O/c1-14(4-2-3-5-14)12(16)13(18)17-10(8-15)6-9-7-11(9)17/h9-12H,2-7,16H2,1H3/t9-,10?,11+,12?/m1/s1
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7n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of porcine Dipeptidylpeptidase IV.


J Med Chem 47: 2587-98 (2004)


Article DOI: 10.1021/jm049924d
BindingDB Entry DOI: 10.7270/Q2FT8MSQ
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (human))
BDBM50214240
PNG
((R)-N-(2-hydroxy-5-(1-hydroxy-2-(2-(4-methoxypheny...)
Show SMILES COc1ccc(cc1)C(C)(C)NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1
Show InChI InChI=1S/C19H26N2O5S/c1-19(2,14-6-8-15(26-3)9-7-14)20-12-18(23)13-5-10-17(22)16(11-13)21-27(4,24)25/h5-11,18,20-23H,12H2,1-4H3/t18-/m0/s1
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7n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]iodocyanopindolol from cloned human adrenergic beta-3 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 4290-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.030
BindingDB Entry DOI: 10.7270/Q2M61JZT
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (human))
BDBM50214248
PNG
(CHEMBL437578 | N-(5-((S)-3-((R)-2-(2-chlorophenyl)...)
Show SMILES COc1ccc(cc1OC)[C@@H](Cc1ccccc1Cl)NC[C@@H](O)Cc1ccc(O)c(NS(C)(=O)=O)c1
Show InChI InChI=1S/C26H31ClN2O6S/c1-34-25-11-9-19(15-26(25)35-2)22(14-18-6-4-5-7-21(18)27)28-16-20(30)12-17-8-10-24(31)23(13-17)29-36(3,32)33/h4-11,13,15,20,22,28-31H,12,14,16H2,1-3H3/t20-,22+/m0/s1
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7n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]iodocyanopindolol from cloned human adrenergic beta-3 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 4290-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.030
BindingDB Entry DOI: 10.7270/Q2M61JZT
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM11533
PNG
((1S,3S,5S)-2-[(2S)-2-amino-3,3-dimethylpentanoyl]-...)
Show SMILES CCC(C)(C)[C@H](N)C(=O)N1[C@H]2C[C@H]2C[C@H]1C#N
Show InChI InChI=1S/C13H21N3O/c1-4-13(2,3)11(15)12(17)16-9(7-14)5-8-6-10(8)16/h8-11H,4-6,15H2,1-3H3/t8-,9+,10+,11-/m1/s1
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7.10 -46.0n/an/an/an/an/a7.422



Bristol-Myers Squibb Pharmaceutical Research Institute



Assay Description
Inhibition of human DPP-IV activity was measured under steady-state conditions by following the absorbance increase at 405 nm upon the substrate clea...


J Med Chem 48: 5025-37 (2005)


Article DOI: 10.1021/jm050261p
BindingDB Entry DOI: 10.7270/Q2FN14DM
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM11538
PNG
((1S,3S,5S)-2-[(2S)-2-amino-2-[1-(hydroxymethyl)cyc...)
Show SMILES N[C@H](C(=O)N1[C@H]2C[C@H]2C[C@H]1C#N)C1(CO)CCCC1
Show InChI InChI=1S/C14H21N3O2/c15-7-10-5-9-6-11(9)17(10)13(19)12(16)14(8-18)3-1-2-4-14/h9-12,18H,1-6,8,16H2/t9-,10+,11+,12-/m1/s1
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7.40 -45.9n/an/an/an/an/a7.422



Bristol-Myers Squibb Pharmaceutical Research Institute



Assay Description
Inhibition of human DPP-IV activity was measured under steady-state conditions by following the absorbance increase at 405 nm upon the substrate clea...


J Med Chem 48: 5025-37 (2005)


Article DOI: 10.1021/jm050261p
BindingDB Entry DOI: 10.7270/Q2FN14DM
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM11539
PNG
((1S,3S,5S)-2-[(2S)-2-amino-2-[1-(hydroxymethyl)cyc...)
Show SMILES N[C@H](C(=O)N1[C@H]2C[C@H]2C[C@H]1C#N)C1(CO)CCCCC1
Show InChI InChI=1S/C15H23N3O2/c16-8-11-6-10-7-12(10)18(11)14(20)13(17)15(9-19)4-2-1-3-5-15/h10-13,19H,1-7,9,17H2/t10-,11+,12+,13-/m1/s1
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8 -45.7n/an/an/an/an/a7.422



Bristol-Myers Squibb Pharmaceutical Research Institute



Assay Description
Inhibition of human DPP-IV activity was measured under steady-state conditions by following the absorbance increase at 405 nm upon the substrate clea...


J Med Chem 48: 5025-37 (2005)


Article DOI: 10.1021/jm050261p
BindingDB Entry DOI: 10.7270/Q2FN14DM
More data for this
Ligand-Target Pair
Dipeptidyl peptidase IV


(Sus scrofa (pig))
BDBM50151003
PNG
((S)-1-((S)-2-Amino-3,3-dimethyl-butyryl)-pyrrolidi...)
Show SMILES CC(C)(C)[C@H](N)C(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C11H19N3O/c1-11(2,3)9(13)10(15)14-6-4-5-8(14)7-12/h8-9H,4-6,13H2,1-3H3/t8-,9+/m0/s1
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8n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of porcine Dipeptidylpeptidase IV.


J Med Chem 47: 2587-98 (2004)


Article DOI: 10.1021/jm049924d
BindingDB Entry DOI: 10.7270/Q2FT8MSQ
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (human))
BDBM50106852
PNG
(CHEMBL321518 | N-{5-[(R)-2-((R)-1-Benzo[1,3]dioxol...)
Show SMILES CS(=O)(=O)Nc1cc(ccc1O)[C@@H](O)CN[C@H](Cc1ccccc1)c1ccc2OCOc2c1
Show InChI InChI=1S/C24H26N2O6S/c1-33(29,30)26-20-12-18(7-9-21(20)27)22(28)14-25-19(11-16-5-3-2-4-6-16)17-8-10-23-24(13-17)32-15-31-23/h2-10,12-13,19,22,25-28H,11,14-15H2,1H3/t19-,22+/m1/s1
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8n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to CHO cells expressing the cloned human beta-3 adrenergic receptor in the presence of [125I]-iodocyanopindolol


Bioorg Med Chem Lett 11: 3041-4 (2001)


Article DOI: 10.1016/s0960-894x(01)00629-1
BindingDB Entry DOI: 10.7270/Q2794402
More data for this
Ligand-Target Pair
EDNRA


(RAT)
BDBM50068736
PNG
(2'-Hydroxy-4'-isobutyl-biphenyl-2-sulfonic acid (3...)
Show SMILES CC(C)Cc1ccc(c(O)c1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C
Show InChI InChI=1S/C21H24N2O4S/c1-13(2)11-16-9-10-17(19(24)12-16)18-7-5-6-8-20(18)28(25,26)23-21-14(3)15(4)22-27-21/h5-10,12-13,23-24H,11H2,1-4H3
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8n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Ability to inhibit binding of [125I]ET1 to membranes prepared from A10 rat thoracic aorta smooth muscle Endothelin A receptor


J Med Chem 41: 5198-218 (1999)


Article DOI: 10.1021/jm970872k
BindingDB Entry DOI: 10.7270/Q2J9672R
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (human))
BDBM50214237
PNG
(CHEMBL400947 | N-(2-hydroxy-5-((S)-2-hydroxy-3-((R...)
Show SMILES COc1ccc(cc1O)[C@@H](Cc1ccccc1)NC[C@@H](O)Cc1ccc(O)c(NS(C)(=O)=O)c1
Show InChI InChI=1S/C25H30N2O6S/c1-33-25-11-9-19(15-24(25)30)21(13-17-6-4-3-5-7-17)26-16-20(28)12-18-8-10-23(29)22(14-18)27-34(2,31)32/h3-11,14-15,20-21,26-30H,12-13,16H2,1-2H3/t20-,21+/m0/s1
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8n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]iodocyanopindolol from cloned human adrenergic beta-3 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 4290-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.030
BindingDB Entry DOI: 10.7270/Q2M61JZT
More data for this
Ligand-Target Pair
Dipeptidyl peptidase IV


(Sus scrofa (pig))
BDBM50146009
PNG
((1S,5S)-2-[2-Amino-2-(1-methyl-cyclohexyl)-acetyl]...)
Show SMILES CC1(CCCCC1)C(N)C(=O)N1[C@H]2C[C@H]2CC1C#N
Show InChI InChI=1S/C15H23N3O/c1-15(5-3-2-4-6-15)13(17)14(19)18-11(9-16)7-10-8-12(10)18/h10-13H,2-8,17H2,1H3/t10-,11?,12+,13?/m1/s1
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8n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of porcine Dipeptidylpeptidase IV.


J Med Chem 47: 2587-98 (2004)


Article DOI: 10.1021/jm049924d
BindingDB Entry DOI: 10.7270/Q2FT8MSQ
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (human))
BDBM50148497
PNG
((S)-N-(4-Chloro-phenyl)-2-[2-hydroxy-2-((R)-4-hydr...)
Show SMILES COc1ccc(cc1)[C@](C)(NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1)C(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C25H28ClN3O6S/c1-25(17-5-11-20(35-2)12-6-17,24(32)28-19-9-7-18(26)8-10-19)27-15-23(31)16-4-13-22(30)21(14-16)29-36(3,33)34/h4-14,23,27,29-31H,15H2,1-3H3,(H,28,32)/t23-,25-/m0/s1
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8.80n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards human beta-3 adrenergic receptor expressed in CHO cells


Bioorg Med Chem Lett 14: 3525-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.074
BindingDB Entry DOI: 10.7270/Q2MP52Q7
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (human))
BDBM50214225
PNG
(CHEMBL398557 | N-(5-((S)-3-((S)-1-(3,4-dimethoxyph...)
Show SMILES COc1ccc(cc1OC)[C@H](Cc1ccccc1)NC[C@@H](O)Cc1ccc(O)c(NS(C)(=O)=O)c1
Show InChI InChI=1S/C26H32N2O6S/c1-33-25-12-10-20(16-26(25)34-2)22(14-18-7-5-4-6-8-18)27-17-21(29)13-19-9-11-24(30)23(15-19)28-35(3,31)32/h4-12,15-16,21-22,27-30H,13-14,17H2,1-3H3/t21-,22-/m0/s1
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9n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]iodocyanopindolol from cloned human adrenergic beta-3 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 4290-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.030
BindingDB Entry DOI: 10.7270/Q2M61JZT
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (human))
BDBM50106833
PNG
(CHEMBL317648 | N-(5-{(R)-2-[(R)-1-(4-Difluorometho...)
Show SMILES C[C@](Cc1ccccc1)(NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1)c1ccc(OC(F)F)cc1
Show InChI InChI=1S/C25H28F2N2O5S/c1-25(15-17-6-4-3-5-7-17,19-9-11-20(12-10-19)34-24(26)27)28-16-23(31)18-8-13-22(30)21(14-18)29-35(2,32)33/h3-14,23-24,28-31H,15-16H2,1-2H3/t23-,25+/m0/s1
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9n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to CHO cells expressing the cloned human beta-3 adrenergic receptor in the presence of [125I]-iodocyanopindolol


Bioorg Med Chem Lett 11: 3041-4 (2001)


Article DOI: 10.1016/s0960-894x(01)00629-1
BindingDB Entry DOI: 10.7270/Q2794402
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (human))
BDBM50214228
PNG
(CHEMBL400067 | N-(5-((R)-3-((S)-1-(3,4-dimethoxyph...)
Show SMILES COc1ccc(cc1OC)[C@H](CCc1ccccc1)NC[C@H](O)Cc1ccc(O)c(NS(C)(=O)=O)c1
Show InChI InChI=1S/C27H34N2O6S/c1-34-26-14-11-21(17-27(26)35-2)23(12-9-19-7-5-4-6-8-19)28-18-22(30)15-20-10-13-25(31)24(16-20)29-36(3,32)33/h4-8,10-11,13-14,16-17,22-23,28-31H,9,12,15,18H2,1-3H3/t22-,23+/m1/s1
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9n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]iodocyanopindolol from cloned human adrenergic beta-3 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 4290-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.030
BindingDB Entry DOI: 10.7270/Q2M61JZT
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM11531
PNG
((1S,3S,5S)-2-[(2S)-2-amino-2-(1-ethenylcycloheptyl...)
Show SMILES N[C@H](C(=O)N1[C@H]2C[C@H]2C[C@H]1C#N)C1(CCCCCC1)C=C
Show InChI InChI=1S/C17H25N3O/c1-2-17(7-5-3-4-6-8-17)15(19)16(21)20-13(11-18)9-12-10-14(12)20/h2,12-15H,1,3-10,19H2/t12-,13+,14+,15-/m1/s1
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10 -45.2n/an/an/an/an/a7.422



Bristol-Myers Squibb Pharmaceutical Research Institute



Assay Description
Inhibition of human DPP-IV activity was measured under steady-state conditions by following the absorbance increase at 405 nm upon the substrate clea...


J Med Chem 48: 5025-37 (2005)


Article DOI: 10.1021/jm050261p
BindingDB Entry DOI: 10.7270/Q2FN14DM
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM11532
PNG
((1S,3S,5S)-2-[(2S)-2-amino-2-(4-ethenyloxan-4-yl)a...)
Show SMILES N[C@H](C(=O)N1[C@H]2C[C@H]2C[C@H]1C#N)C1(CCOCC1)C=C
Show InChI InChI=1S/C15H21N3O2/c1-2-15(3-5-20-6-4-15)13(17)14(19)18-11(9-16)7-10-8-12(10)18/h2,10-13H,1,3-8,17H2/t10-,11+,12+,13-/m1/s1
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10 -45.2n/an/an/an/an/a7.422



Bristol-Myers Squibb Pharmaceutical Research Institute



Assay Description
Inhibition of human DPP-IV activity was measured under steady-state conditions by following the absorbance increase at 405 nm upon the substrate clea...


J Med Chem 48: 5025-37 (2005)


Article DOI: 10.1021/jm050261p
BindingDB Entry DOI: 10.7270/Q2FN14DM
More data for this
Ligand-Target Pair
Dipeptidyl peptidase IV


(Sus scrofa (pig))
BDBM50146010
PNG
((1S,5S)-2-[2-Amino-2-(1-methyl-cyclobutyl)-acetyl]...)
Show SMILES CC1(CCC1)C(N)C(=O)N1[C@H]2C[C@H]2CC1C#N
Show InChI InChI=1S/C13H19N3O/c1-13(3-2-4-13)11(15)12(17)16-9(7-14)5-8-6-10(8)16/h8-11H,2-6,15H2,1H3/t8-,9?,10+,11?/m1/s1
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11n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of porcine Dipeptidylpeptidase IV.


J Med Chem 47: 2587-98 (2004)


Article DOI: 10.1021/jm049924d
BindingDB Entry DOI: 10.7270/Q2FT8MSQ
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (human))
BDBM50106810
PNG
(CHEMBL317621 | N-(5-((R)-2-((R)-1-(3,4-dimethoxyph...)
Show SMILES COc1ccc(cc1OC)[C@@H](Cc1ccccc1)NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1
Show InChI InChI=1S/C25H30N2O6S/c1-32-24-12-10-18(15-25(24)33-2)20(13-17-7-5-4-6-8-17)26-16-23(29)19-9-11-22(28)21(14-19)27-34(3,30)31/h4-12,14-15,20,23,26-29H,13,16H2,1-3H3/t20-,23+/m1/s1
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11n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against CHO cells transfected with human beta-3 adrenergic receptor in the presence of [125I]iodocyanopindolol


Bioorg Med Chem Lett 11: 3035-9 (2001)


Article DOI: 10.1016/s0960-894x(01)00628-x
BindingDB Entry DOI: 10.7270/Q2MS3T97
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (human))
BDBM50106810
PNG
(CHEMBL317621 | N-(5-((R)-2-((R)-1-(3,4-dimethoxyph...)
Show SMILES COc1ccc(cc1OC)[C@@H](Cc1ccccc1)NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1
Show InChI InChI=1S/C25H30N2O6S/c1-32-24-12-10-18(15-25(24)33-2)20(13-17-7-5-4-6-8-17)26-16-23(29)19-9-11-22(28)21(14-19)27-34(3,30)31/h4-12,14-15,20,23,26-29H,13,16H2,1-3H3/t20-,23+/m1/s1
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11n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]iodocyanopindolol from cloned human adrenergic beta-3 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 4290-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.030
BindingDB Entry DOI: 10.7270/Q2M61JZT
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (human))
BDBM50148487
PNG
((S)-2-[2-Hydroxy-2-((R)-4-hydroxy-3-methanesulfony...)
Show SMILES COc1ccc(cc1)[C@](C)(NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1)C(=O)Nc1ccc2sc(C)nc2c1
Show InChI InChI=1S/C27H30N4O6S2/c1-16-29-22-14-19(8-12-25(22)38-16)30-26(34)27(2,18-6-9-20(37-3)10-7-18)28-15-24(33)17-5-11-23(32)21(13-17)31-39(4,35)36/h5-14,24,28,31-33H,15H2,1-4H3,(H,30,34)/t24-,27-/m0/s1
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11n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards human beta-3 adrenergic receptor expressed in CHO cells


Bioorg Med Chem Lett 14: 3525-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.074
BindingDB Entry DOI: 10.7270/Q2MP52Q7
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM11528
PNG
((1S,3S,5S)-2-[(2S)-2-amino-2-(1-ethenylcyclobutyl)...)
Show SMILES N[C@H](C(=O)N1[C@H]2C[C@H]2C[C@H]1C#N)C1(CCC1)C=C
Show InChI InChI=1S/C14H19N3O/c1-2-14(4-3-5-14)12(16)13(18)17-10(8-15)6-9-7-11(9)17/h2,9-12H,1,3-7,16H2/t9-,10+,11+,12-/m1/s1
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12 -44.8n/an/an/an/an/a7.422



Bristol-Myers Squibb Pharmaceutical Research Institute



Assay Description
Inhibition of human DPP-IV activity was measured under steady-state conditions by following the absorbance increase at 405 nm upon the substrate clea...


J Med Chem 48: 5025-37 (2005)


Article DOI: 10.1021/jm050261p
BindingDB Entry DOI: 10.7270/Q2FN14DM
More data for this
Ligand-Target Pair
Dipeptidyl peptidase IV


(Sus scrofa (pig))
BDBM50145997
PNG
((1S,5S)-2-(2-Amino-2-cyclobutyl-acetyl)-2-aza-bicy...)
Show SMILES NC(C1CCC1)C(=O)N1[C@H]2C[C@H]2CC1C#N
Show InChI InChI=1S/C12H17N3O/c13-6-9-4-8-5-10(8)15(9)12(16)11(14)7-2-1-3-7/h7-11H,1-5,14H2/t8-,9?,10+,11?/m1/s1
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12n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of porcine Dipeptidylpeptidase IV.


J Med Chem 47: 2587-98 (2004)


Article DOI: 10.1021/jm049924d
BindingDB Entry DOI: 10.7270/Q2FT8MSQ
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (human))
BDBM50214227
PNG
(CHEMBL251764 | N-(5-((R)-3-((S)-3-(4-chlorophenyl)...)
Show SMILES COc1ccc(cc1OC)[C@H](CCc1ccc(Cl)cc1)NC[C@H](O)Cc1ccc(O)c(NS(C)(=O)=O)c1
Show InChI InChI=1S/C27H33ClN2O6S/c1-35-26-13-8-20(16-27(26)36-2)23(11-6-18-4-9-21(28)10-5-18)29-17-22(31)14-19-7-12-25(32)24(15-19)30-37(3,33)34/h4-5,7-10,12-13,15-16,22-23,29-32H,6,11,14,17H2,1-3H3/t22-,23+/m1/s1
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12n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]iodocyanopindolol from cloned human adrenergic beta-3 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 4290-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.030
BindingDB Entry DOI: 10.7270/Q2M61JZT
More data for this
Ligand-Target Pair
Dipeptidyl peptidase IV


(Sus scrofa (pig))
BDBM50146007
PNG
((1R,5S)-3-((S)-2-Amino-3-methyl-butyryl)-3-aza-bic...)
Show SMILES CC(C)[C@H](N)C(=O)N1C[C@H]2C[C@H]2C1C#N
Show InChI InChI=1S/C11H17N3O/c1-6(2)10(13)11(15)14-5-7-3-8(7)9(14)4-12/h6-10H,3,5,13H2,1-2H3/t7-,8-,9?,10+/m1/s1
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12n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of porcine Dipeptidylpeptidase IV.


J Med Chem 47: 2587-98 (2004)


Article DOI: 10.1021/jm049924d
BindingDB Entry DOI: 10.7270/Q2FT8MSQ
More data for this
Ligand-Target Pair
EDNRA


(RAT)
BDBM50068685
PNG
(4'-Isobutyl-biphenyl-2-sulfonic acid (4,5-dimethyl...)
Show SMILES CC(C)Cc1ccc(cc1)-c1ccccc1S(=O)(=O)Nc1noc(C)c1C
Show InChI InChI=1S/C21H24N2O3S/c1-14(2)13-17-9-11-18(12-10-17)19-7-5-6-8-20(19)27(24,25)23-21-15(3)16(4)26-22-21/h5-12,14H,13H2,1-4H3,(H,22,23)
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13n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Ability to inhibit binding of [125I]ET1 to membranes prepared from A10 rat thoracic aorta smooth muscle Endothelin A receptor


J Med Chem 41: 5198-218 (1999)


Article DOI: 10.1021/jm970872k
BindingDB Entry DOI: 10.7270/Q2J9672R
More data for this
Ligand-Target Pair
EDNRA


(RAT)
BDBM50068704
PNG
(4'-Isobutyl-2'-methylamino-biphenyl-2-sulfonic aci...)
Show SMILES CNc1cc(CC(C)C)ccc1-c1ccccc1S(=O)(=O)Nc1onc(C)c1C
Show InChI InChI=1S/C22H27N3O3S/c1-14(2)12-17-10-11-18(20(13-17)23-5)19-8-6-7-9-21(19)29(26,27)25-22-15(3)16(4)24-28-22/h6-11,13-14,23,25H,12H2,1-5H3
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14n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Ability to inhibit binding of [125I]ET1 to membranes prepared from A10 rat thoracic aorta smooth muscle Endothelin A receptor


J Med Chem 41: 5198-218 (1999)


Article DOI: 10.1021/jm970872k
BindingDB Entry DOI: 10.7270/Q2J9672R
More data for this
Ligand-Target Pair
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