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Compile Data Set for Download or QSAR

Found 295 hits with Last Name = 'khilevich' and Initial = 'a'   
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
Metabotropic glutamate receptor 3


(Homo sapiens (Human))
BDBM50204261
PNG
(CHEMBL3969063)
Show SMILES N[C@@]1([C@H]2[C@H]([C@@H]2C(O)=O)[C@H](Sc2nc[nH]n2)[C@H]1OCc1ccc(Cl)c(Cl)c1)C(O)=O
Show InChI InChI=1S/C17H16Cl2N4O5S/c18-7-2-1-6(3-8(7)19)4-28-13-12(29-16-21-5-22-23-16)9-10(14(24)25)11(9)17(13,20)15(26)27/h1-3,5,9-13H,4,20H2,(H,24,25)(H,26,27)(H,21,22,23)/t9-,10-,11-,12-,13+,17+/m0/s1
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2.70n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-LY459477 from human mGlu3 receptor expressed in hamster AV12 cell membranes co-expressing human EAAT1 after 90 mins by liquid sc...


Bioorg Med Chem Lett 26: 5663-5668 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.067
BindingDB Entry DOI: 10.7270/Q2JS9SDT
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50204261
PNG
(CHEMBL3969063)
Show SMILES N[C@@]1([C@H]2[C@H]([C@@H]2C(O)=O)[C@H](Sc2nc[nH]n2)[C@H]1OCc1ccc(Cl)c(Cl)c1)C(O)=O
Show InChI InChI=1S/C17H16Cl2N4O5S/c18-7-2-1-6(3-8(7)19)4-28-13-12(29-16-21-5-22-23-16)9-10(14(24)25)11(9)17(13,20)15(26)27/h1-3,5,9-13H,4,20H2,(H,24,25)(H,26,27)(H,21,22,23)/t9-,10-,11-,12-,13+,17+/m0/s1
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7.40n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-LY459477 from human mGlu2 receptor expressed in hamster AV12 cell membranes co-expressing human EAAT1 after 90 mins by liquid sc...


Bioorg Med Chem Lett 26: 5663-5668 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.067
BindingDB Entry DOI: 10.7270/Q2JS9SDT
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50118703
PNG
(CHEMBL109783 | N-[5-(4,5-Dihydro-1H-imidazol-2-yl)...)
Show SMILES CS(=O)(=O)Nc1c(O)ccc2C(CCCc12)C1=NCCN1
Show InChI InChI=1S/C14H19N3O3S/c1-21(19,20)17-13-10-3-2-4-11(14-15-7-8-16-14)9(10)5-6-12(13)18/h5-6,11,17-18H,2-4,7-8H2,1H3,(H,15,16)
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12n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards rat submaxillary gland Alpha-1 adrenergic receptor; value ranges from (0.009 - 0.015)


J Med Chem 45: 4395-7 (2002)


Article DOI: 10.1021/jm025550h
BindingDB Entry DOI: 10.7270/Q20001FV
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50204257
PNG
(CHEMBL3947221)
Show SMILES N[C@@]1([C@H]2[C@H]([C@@H]2C(O)=O)[C@H](O)[C@H]1OCc1ccc(Cl)c(Cl)c1)C(O)=O
Show InChI InChI=1S/C15H15Cl2NO6/c16-6-2-1-5(3-7(6)17)4-24-12-11(19)8-9(13(20)21)10(8)15(12,18)14(22)23/h1-3,8-12,19H,4,18H2,(H,20,21)(H,22,23)/t8-,9-,10-,11-,12+,15+/m0/s1
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20n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-LY459477 from human mGlu2 receptor expressed in hamster AV12 cell membranes co-expressing human EAAT1 after 90 mins by liquid sc...


Bioorg Med Chem Lett 26: 5663-5668 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.067
BindingDB Entry DOI: 10.7270/Q2JS9SDT
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50204269
PNG
(CHEMBL3909237)
Show SMILES N[C@@]1([C@H]2[C@H]([C@@H]2C(O)=O)[C@@H](O)[C@H]1OCc1ccc(Cl)c(Cl)c1)C(O)=O
Show InChI InChI=1S/C15H15Cl2NO6/c16-6-2-1-5(3-7(6)17)4-24-12-11(19)8-9(13(20)21)10(8)15(12,18)14(22)23/h1-3,8-12,19H,4,18H2,(H,20,21)(H,22,23)/t8-,9-,10-,11+,12+,15+/m0/s1
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76n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-LY459477 from human mGlu2 receptor expressed in hamster AV12 cell membranes co-expressing human EAAT1 after 90 mins by liquid sc...


Bioorg Med Chem Lett 26: 5663-5668 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.067
BindingDB Entry DOI: 10.7270/Q2JS9SDT
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50118705
PNG
(ABT-866 | CHEMBL326702 | Ethanesulfonic acid [3-(1...)
Show SMILES CCS(=O)(=O)Nc1cccc(Cc2cnc[nH]2)c1
Show InChI InChI=1S/C12H15N3O2S/c1-2-18(16,17)15-11-5-3-4-10(6-11)7-12-8-13-9-14-12/h3-6,8-9,15H,2,7H2,1H3,(H,13,14)
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140n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards rat submaxillary gland Alpha-1 adrenergic receptor ; value ranges from (0.12 - 0.15)


J Med Chem 45: 4395-7 (2002)


Article DOI: 10.1021/jm025550h
BindingDB Entry DOI: 10.7270/Q20001FV
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50434132
PNG
(CHEMBL2381642)
Show SMILES N[C@]1(C[C@@H](O)[C@H]2[C@@H]([C@@H]12)C(O)=O)C(O)=O
Show InChI InChI=1S/C8H11NO5/c9-8(7(13)14)1-2(10)3-4(5(3)8)6(11)12/h2-5,10H,1,9H2,(H,11,12)(H,13,14)/t2-,3+,4+,5+,8+/m1/s1
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166n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-LY459477 from human mGlu2 receptor expressed in hamster AV12 cell membranes co-expressing human EAAT1 after 90 mins by liquid sc...


Bioorg Med Chem Lett 26: 5663-5668 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.067
BindingDB Entry DOI: 10.7270/Q2JS9SDT
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50434133
PNG
(CHEMBL2381643)
Show SMILES N[C@]1(C[C@H](O)[C@H]2[C@@H]([C@@H]12)C(O)=O)C(O)=O
Show InChI InChI=1S/C8H11NO5/c9-8(7(13)14)1-2(10)3-4(5(3)8)6(11)12/h2-5,10H,1,9H2,(H,11,12)(H,13,14)/t2-,3-,4-,5-,8-/m0/s1
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230n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-LY459477 from human mGlu2 receptor expressed in hamster AV12 cell membranes co-expressing human EAAT1 after 90 mins by liquid sc...


Bioorg Med Chem Lett 26: 5663-5668 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.067
BindingDB Entry DOI: 10.7270/Q2JS9SDT
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50118705
PNG
(ABT-866 | CHEMBL326702 | Ethanesulfonic acid [3-(1...)
Show SMILES CCS(=O)(=O)Nc1cccc(Cc2cnc[nH]2)c1
Show InChI InChI=1S/C12H15N3O2S/c1-2-18(16,17)15-11-5-3-4-10(6-11)7-12-8-13-9-14-12/h3-6,8-9,15H,2,7H2,1H3,(H,13,14)
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280n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards rat cloned Alpha-1D adrenergic receptor ; value ranges from (0.24 -0.32)


J Med Chem 45: 4395-7 (2002)


Article DOI: 10.1021/jm025550h
BindingDB Entry DOI: 10.7270/Q20001FV
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50118705
PNG
(ABT-866 | CHEMBL326702 | Ethanesulfonic acid [3-(1...)
Show SMILES CCS(=O)(=O)Nc1cccc(Cc2cnc[nH]2)c1
Show InChI InChI=1S/C12H15N3O2S/c1-2-18(16,17)15-11-5-3-4-10(6-11)7-12-8-13-9-14-12/h3-6,8-9,15H,2,7H2,1H3,(H,13,14)
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880n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards hamster cloned Alpha-1B adrenergic receptor ; value ranges from (0.76 -1.0)


J Med Chem 45: 4395-7 (2002)


Article DOI: 10.1021/jm025550h
BindingDB Entry DOI: 10.7270/Q20001FV
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50118703
PNG
(CHEMBL109783 | N-[5-(4,5-Dihydro-1H-imidazol-2-yl)...)
Show SMILES CS(=O)(=O)Nc1c(O)ccc2C(CCCc12)C1=NCCN1
Show InChI InChI=1S/C14H19N3O3S/c1-21(19,20)17-13-10-3-2-4-11(14-15-7-8-16-14)9(10)5-6-12(13)18/h5-6,11,17-18H,2-4,7-8H2,1H3,(H,15,16)
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1.50E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards rat cloned Alpha-1D adrenergic receptor ;value ranges from (1.3 -1.6)


J Med Chem 45: 4395-7 (2002)


Article DOI: 10.1021/jm025550h
BindingDB Entry DOI: 10.7270/Q20001FV
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50118702
PNG
(2-Amino-1-(2,5-dimethoxy-phenyl)-ethanol | CHEMBL1...)
Show SMILES COc1ccc(OC)c(c1)C(O)CN
Show InChI InChI=1S/C10H15NO3/c1-13-7-3-4-10(14-2)8(5-7)9(12)6-11/h3-5,9,12H,6,11H2,1-2H3
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1.70E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards rat cloned Alpha-1D adrenergic receptor; value ranges from (1.5 - 1.9)


J Med Chem 45: 4395-7 (2002)


Article DOI: 10.1021/jm025550h
BindingDB Entry DOI: 10.7270/Q20001FV
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50118702
PNG
(2-Amino-1-(2,5-dimethoxy-phenyl)-ethanol | CHEMBL1...)
Show SMILES COc1ccc(OC)c(c1)C(O)CN
Show InChI InChI=1S/C10H15NO3/c1-13-7-3-4-10(14-2)8(5-7)9(12)6-11/h3-5,9,12H,6,11H2,1-2H3
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2.00E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards rat submaxillary gland Alpha-1 adrenergic receptor ;value ranges from (1.6 -2.5)


J Med Chem 45: 4395-7 (2002)


Article DOI: 10.1021/jm025550h
BindingDB Entry DOI: 10.7270/Q20001FV
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50118703
PNG
(CHEMBL109783 | N-[5-(4,5-Dihydro-1H-imidazol-2-yl)...)
Show SMILES CS(=O)(=O)Nc1c(O)ccc2C(CCCc12)C1=NCCN1
Show InChI InChI=1S/C14H19N3O3S/c1-21(19,20)17-13-10-3-2-4-11(14-15-7-8-16-14)9(10)5-6-12(13)18/h5-6,11,17-18H,2-4,7-8H2,1H3,(H,15,16)
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2.90E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards hamster cloned Alpha-1B adrenergic receptor ; value ranges from (2.0 -4.4)


J Med Chem 45: 4395-7 (2002)


Article DOI: 10.1021/jm025550h
BindingDB Entry DOI: 10.7270/Q20001FV
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50118702
PNG
(2-Amino-1-(2,5-dimethoxy-phenyl)-ethanol | CHEMBL1...)
Show SMILES COc1ccc(OC)c(c1)C(O)CN
Show InChI InChI=1S/C10H15NO3/c1-13-7-3-4-10(14-2)8(5-7)9(12)6-11/h3-5,9,12H,6,11H2,1-2H3
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6.90E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards hamster cloned Alpha-1B adrenergic receptor ;value ranges from (6.2 -7.7)


J Med Chem 45: 4395-7 (2002)


Article DOI: 10.1021/jm025550h
BindingDB Entry DOI: 10.7270/Q20001FV
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50022722
PNG
((+)2-Amino-1-phenyl-propan-1-ol | (1R, 2R)-2-Amino...)
Show SMILES CC(N)C(O)c1ccccc1
Show InChI InChI=1S/C9H13NO/c1-7(10)9(11)8-5-3-2-4-6-8/h2-7,9,11H,10H2,1H3
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8.40E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards rat cloned Alpha-1D adrenergic receptor ;value ranges from (5.5 -13)


J Med Chem 45: 4395-7 (2002)


Article DOI: 10.1021/jm025550h
BindingDB Entry DOI: 10.7270/Q20001FV
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50022722
PNG
((+)2-Amino-1-phenyl-propan-1-ol | (1R, 2R)-2-Amino...)
Show SMILES CC(N)C(O)c1ccccc1
Show InChI InChI=1S/C9H13NO/c1-7(10)9(11)8-5-3-2-4-6-8/h2-7,9,11H,10H2,1H3
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9.60E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards hamster cloned Alpha-1B adrenergic receptor mean;value ranges from( 6.4 -14)


J Med Chem 45: 4395-7 (2002)


Article DOI: 10.1021/jm025550h
BindingDB Entry DOI: 10.7270/Q20001FV
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50022722
PNG
((+)2-Amino-1-phenyl-propan-1-ol | (1R, 2R)-2-Amino...)
Show SMILES CC(N)C(O)c1ccccc1
Show InChI InChI=1S/C9H13NO/c1-7(10)9(11)8-5-3-2-4-6-8/h2-7,9,11H,10H2,1H3
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9.80E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards rat submaxillary gland Alpha-1 adrenergic receptor; value ranges from (6.2 - 15)


J Med Chem 45: 4395-7 (2002)


Article DOI: 10.1021/jm025550h
BindingDB Entry DOI: 10.7270/Q20001FV
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50204257
PNG
(CHEMBL3947221)
Show SMILES N[C@@]1([C@H]2[C@H]([C@@H]2C(O)=O)[C@H](O)[C@H]1OCc1ccc(Cl)c(Cl)c1)C(O)=O
Show InChI InChI=1S/C15H15Cl2NO6/c16-6-2-1-5(3-7(6)17)4-24-12-11(19)8-9(13(20)21)10(8)15(12,18)14(22)23/h1-3,8-12,19H,4,18H2,(H,20,21)(H,22,23)/t8-,9-,10-,11-,12+,15+/m0/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-Astemizole from human ERG by membrane binding assay


Bioorg Med Chem Lett 26: 5663-5668 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.067
BindingDB Entry DOI: 10.7270/Q2JS9SDT
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50207400
PNG
(CHEMBL3899832)
Show SMILES CC(=O)c1ccc(OCc2ccc(Oc3cc(ccn3)-c3nn[nH]n3)cc2)c(C)c1O
Show InChI InChI=1S/C22H19N5O4/c1-13-19(8-7-18(14(2)28)21(13)29)30-12-15-3-5-17(6-4-15)31-20-11-16(9-10-23-20)22-24-26-27-25-22/h3-11,29H,12H2,1-2H3,(H,24,25,26,27)
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>1.79E+6n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5HT6 receptor expressed in CHO cells after 120 mins by scintillation counting method


Bioorg Med Chem Lett 27: 323-328 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.049
BindingDB Entry DOI: 10.7270/Q2DN471R
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50207400
PNG
(CHEMBL3899832)
Show SMILES CC(=O)c1ccc(OCc2ccc(Oc3cc(ccn3)-c3nn[nH]n3)cc2)c(C)c1O
Show InChI InChI=1S/C22H19N5O4/c1-13-19(8-7-18(14(2)28)21(13)29)30-12-15-3-5-17(6-4-15)31-20-11-16(9-10-23-20)22-24-26-27-25-22/h3-11,29H,12H2,1-2H3,(H,24,25,26,27)
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>2.40E+6n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Activity at human 5HT1D receptor


Bioorg Med Chem Lett 27: 323-328 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.049
BindingDB Entry DOI: 10.7270/Q2DN471R
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50207400
PNG
(CHEMBL3899832)
Show SMILES CC(=O)c1ccc(OCc2ccc(Oc3cc(ccn3)-c3nn[nH]n3)cc2)c(C)c1O
Show InChI InChI=1S/C22H19N5O4/c1-13-19(8-7-18(14(2)28)21(13)29)30-12-15-3-5-17(6-4-15)31-20-11-16(9-10-23-20)22-24-26-27-25-22/h3-11,29H,12H2,1-2H3,(H,24,25,26,27)
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>2.97E+6n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Activity at human 5HT1F receptor


Bioorg Med Chem Lett 27: 323-328 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.049
BindingDB Entry DOI: 10.7270/Q2DN471R
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50207400
PNG
(CHEMBL3899832)
Show SMILES CC(=O)c1ccc(OCc2ccc(Oc3cc(ccn3)-c3nn[nH]n3)cc2)c(C)c1O
Show InChI InChI=1S/C22H19N5O4/c1-13-19(8-7-18(14(2)28)21(13)29)30-12-15-3-5-17(6-4-15)31-20-11-16(9-10-23-20)22-24-26-27-25-22/h3-11,29H,12H2,1-2H3,(H,24,25,26,27)
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>3.02E+6n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Activity at human 5HT1A receptor


Bioorg Med Chem Lett 27: 323-328 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.049
BindingDB Entry DOI: 10.7270/Q2DN471R
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (Human))
BDBM50207400
PNG
(CHEMBL3899832)
Show SMILES CC(=O)c1ccc(OCc2ccc(Oc3cc(ccn3)-c3nn[nH]n3)cc2)c(C)c1O
Show InChI InChI=1S/C22H19N5O4/c1-13-19(8-7-18(14(2)28)21(13)29)30-12-15-3-5-17(6-4-15)31-20-11-16(9-10-23-20)22-24-26-27-25-22/h3-11,29H,12H2,1-2H3,(H,24,25,26,27)
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>3.30E+6n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Activity at human 5T2B receptor


Bioorg Med Chem Lett 27: 323-328 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.049
BindingDB Entry DOI: 10.7270/Q2DN471R
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50207400
PNG
(CHEMBL3899832)
Show SMILES CC(=O)c1ccc(OCc2ccc(Oc3cc(ccn3)-c3nn[nH]n3)cc2)c(C)c1O
Show InChI InChI=1S/C22H19N5O4/c1-13-19(8-7-18(14(2)28)21(13)29)30-12-15-3-5-17(6-4-15)31-20-11-16(9-10-23-20)22-24-26-27-25-22/h3-11,29H,12H2,1-2H3,(H,24,25,26,27)
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>3.58E+6n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Activity at human 5HT1B receptor


Bioorg Med Chem Lett 27: 323-328 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.049
BindingDB Entry DOI: 10.7270/Q2DN471R
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50207400
PNG
(CHEMBL3899832)
Show SMILES CC(=O)c1ccc(OCc2ccc(Oc3cc(ccn3)-c3nn[nH]n3)cc2)c(C)c1O
Show InChI InChI=1S/C22H19N5O4/c1-13-19(8-7-18(14(2)28)21(13)29)30-12-15-3-5-17(6-4-15)31-20-11-16(9-10-23-20)22-24-26-27-25-22/h3-11,29H,12H2,1-2H3,(H,24,25,26,27)
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>3.98E+6n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5HT7 receptor expressed in CHO cells after 120 mins by scintillation counting method


Bioorg Med Chem Lett 27: 323-328 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.049
BindingDB Entry DOI: 10.7270/Q2DN471R
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50207400
PNG
(CHEMBL3899832)
Show SMILES CC(=O)c1ccc(OCc2ccc(Oc3cc(ccn3)-c3nn[nH]n3)cc2)c(C)c1O
Show InChI InChI=1S/C22H19N5O4/c1-13-19(8-7-18(14(2)28)21(13)29)30-12-15-3-5-17(6-4-15)31-20-11-16(9-10-23-20)22-24-26-27-25-22/h3-11,29H,12H2,1-2H3,(H,24,25,26,27)
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>5.37E+6n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Activity at human 5HT1E receptor


Bioorg Med Chem Lett 27: 323-328 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.049
BindingDB Entry DOI: 10.7270/Q2DN471R
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM50207400
PNG
(CHEMBL3899832)
Show SMILES CC(=O)c1ccc(OCc2ccc(Oc3cc(ccn3)-c3nn[nH]n3)cc2)c(C)c1O
Show InChI InChI=1S/C22H19N5O4/c1-13-19(8-7-18(14(2)28)21(13)29)30-12-15-3-5-17(6-4-15)31-20-11-16(9-10-23-20)22-24-26-27-25-22/h3-11,29H,12H2,1-2H3,(H,24,25,26,27)
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>6.31E+6n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Displacement of human recombinant 5HT4E receptor expressed in CHO cells after 60 mins by scintillation counting method


Bioorg Med Chem Lett 27: 323-328 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.049
BindingDB Entry DOI: 10.7270/Q2DN471R
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50207400
PNG
(CHEMBL3899832)
Show SMILES CC(=O)c1ccc(OCc2ccc(Oc3cc(ccn3)-c3nn[nH]n3)cc2)c(C)c1O
Show InChI InChI=1S/C22H19N5O4/c1-13-19(8-7-18(14(2)28)21(13)29)30-12-15-3-5-17(6-4-15)31-20-11-16(9-10-23-20)22-24-26-27-25-22/h3-11,29H,12H2,1-2H3,(H,24,25,26,27)
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>6.90E+6n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Displacement of human 5HT5A receptor expressed in HEK293 cells after 120 mins by scintillation counting method


Bioorg Med Chem Lett 27: 323-328 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.049
BindingDB Entry DOI: 10.7270/Q2DN471R
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50207400
PNG
(CHEMBL3899832)
Show SMILES CC(=O)c1ccc(OCc2ccc(Oc3cc(ccn3)-c3nn[nH]n3)cc2)c(C)c1O
Show InChI InChI=1S/C22H19N5O4/c1-13-19(8-7-18(14(2)28)21(13)29)30-12-15-3-5-17(6-4-15)31-20-11-16(9-10-23-20)22-24-26-27-25-22/h3-11,29H,12H2,1-2H3,(H,24,25,26,27)
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>7.47E+6n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Activity at human 5HT2A receptor


Bioorg Med Chem Lett 27: 323-328 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.049
BindingDB Entry DOI: 10.7270/Q2DN471R
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50207400
PNG
(CHEMBL3899832)
Show SMILES CC(=O)c1ccc(OCc2ccc(Oc3cc(ccn3)-c3nn[nH]n3)cc2)c(C)c1O
Show InChI InChI=1S/C22H19N5O4/c1-13-19(8-7-18(14(2)28)21(13)29)30-12-15-3-5-17(6-4-15)31-20-11-16(9-10-23-20)22-24-26-27-25-22/h3-11,29H,12H2,1-2H3,(H,24,25,26,27)
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>7.87E+6n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Activity at human 5T2C receptor


Bioorg Med Chem Lett 27: 323-328 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.049
BindingDB Entry DOI: 10.7270/Q2DN471R
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50185450
PNG
(3-(benzo[d][1,3]dioxol-5-yl)-4-(1-methyl-5-(2-(5,6...)
Show SMILES Cn1nc(CC(CC(O)=O)c2ccc3OCOc3c2)cc1OCCc1ccc2CCCNc2n1
Show InChI InChI=1S/C25H28N4O5/c1-29-23(32-10-8-19-6-4-16-3-2-9-26-25(16)27-19)14-20(28-29)11-18(13-24(30)31)17-5-7-21-22(12-17)34-15-33-21/h4-7,12,14,18H,2-3,8-11,13,15H2,1H3,(H,26,27)(H,30,31)
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n/an/a 0.210n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of alphavbeta3 integrin in 293 cells


Bioorg Med Chem Lett 16: 3156-61 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.045
BindingDB Entry DOI: 10.7270/Q29023CB
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50185464
PNG
(3-(benzo[d][1,3]dioxol-5-yl)-4-(3-(2-(5,6,7,8-tetr...)
Show SMILES OC(=O)CC(Cc1cc(OCCc2ccc3CCCNc3n2)no1)c1ccc2OCOc2c1
Show InChI InChI=1S/C24H25N3O6/c28-23(29)12-17(16-4-6-20-21(11-16)32-14-31-20)10-19-13-22(27-33-19)30-9-7-18-5-3-15-2-1-8-25-24(15)26-18/h3-6,11,13,17H,1-2,7-10,12,14H2,(H,25,26)(H,28,29)
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n/an/a 0.340n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of alphavbeta3 integrin in 293 cells


Bioorg Med Chem Lett 16: 3156-61 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.045
BindingDB Entry DOI: 10.7270/Q29023CB
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50185466
PNG
((S)-3-(benzo[d][1,3]dioxol-5-yl)-4-(1-methyl-5-(2-...)
Show SMILES Cn1nc(C[C@@H](CC(O)=O)c2ccc3OCOc3c2)cc1OCCc1ccc2CCCNc2n1
Show InChI InChI=1S/C25H28N4O5/c1-29-23(32-10-8-19-6-4-16-3-2-9-26-25(16)27-19)14-20(28-29)11-18(13-24(30)31)17-5-7-21-22(12-17)34-15-33-21/h4-7,12,14,18H,2-3,8-11,13,15H2,1H3,(H,26,27)(H,30,31)/t18-/m0/s1
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n/an/a 0.440n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of alphavbeta3 integrin by SPRA


Bioorg Med Chem Lett 16: 3156-61 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.045
BindingDB Entry DOI: 10.7270/Q29023CB
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50185459
PNG
(3-(benzo[d][1,3]dioxol-5-yl)-4-(3-(3-(4,5-dihydro-...)
Show SMILES OC(=O)CC(Cc1cc(OCCCN=C2NCCN2)no1)c1ccc2OCOc2c1
Show InChI InChI=1S/C20H24N4O6/c25-19(26)10-14(13-2-3-16-17(9-13)29-12-28-16)8-15-11-18(24-30-15)27-7-1-4-21-20-22-5-6-23-20/h2-3,9,11,14H,1,4-8,10,12H2,(H,25,26)(H2,21,22,23)
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n/an/a 0.580n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of alphavbeta3 integrin in 293 cells


Bioorg Med Chem Lett 16: 3156-61 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.045
BindingDB Entry DOI: 10.7270/Q29023CB
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50185460
PNG
(3-(benzo[d][1,3]dioxol-5-yl)-4-(1-(carboxymethyl)-...)
Show SMILES OC(=O)CC(Cc1cc(OCCc2ccc3CCCNc3n2)n(CC(O)=O)n1)c1ccc2OCOc2c1
Show InChI InChI=1S/C26H28N4O7/c31-24(32)12-18(17-4-6-21-22(11-17)37-15-36-21)10-20-13-23(30(29-20)14-25(33)34)35-9-7-19-5-3-16-2-1-8-27-26(16)28-19/h3-6,11,13,18H,1-2,7-10,12,14-15H2,(H,27,28)(H,31,32)(H,33,34)
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n/an/a 0.600n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of alphavbeta3 integrin by SPRA


Bioorg Med Chem Lett 16: 3156-61 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.045
BindingDB Entry DOI: 10.7270/Q29023CB
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50185469
PNG
(3-(benzo[d][1,3]dioxol-5-yl)-4-(3-(2-(1-methyl-1,2...)
Show SMILES CN1CCNc2nc(CCOc3cc(CC(CC(O)=O)c4ccc5OCOc5c4)on3)ccc12
Show InChI InChI=1S/C24H26N4O6/c1-28-8-7-25-24-19(28)4-3-17(26-24)6-9-31-22-13-18(34-27-22)10-16(12-23(29)30)15-2-5-20-21(11-15)33-14-32-20/h2-5,11,13,16H,6-10,12,14H2,1H3,(H,25,26)(H,29,30)
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n/an/a 0.690n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of alphavbeta3 integrin in 293 cells


Bioorg Med Chem Lett 16: 3156-61 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.045
BindingDB Entry DOI: 10.7270/Q29023CB
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50185452
PNG
(3-(benzo[d][1,3]dioxol-5-yl)-4-(5-(2-(5,6,7,8-tetr...)
Show SMILES OC(=O)CC(Cc1cc(OCCc2ccc3CCCNc3n2)n[nH]1)c1ccc2OCOc2c1
Show InChI InChI=1S/C24H26N4O5/c29-23(30)12-17(16-4-6-20-21(11-16)33-14-32-20)10-19-13-22(28-27-19)31-9-7-18-5-3-15-2-1-8-25-24(15)26-18/h3-6,11,13,17H,1-2,7-10,12,14H2,(H,25,26)(H,27,28)(H,29,30)
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n/an/a 0.710n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of alphavbeta3 integrin in 293 cells


Bioorg Med Chem Lett 16: 3156-61 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.045
BindingDB Entry DOI: 10.7270/Q29023CB
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50185468
PNG
(3-(benzo[d][1,3]dioxol-5-yl)-4-(1-methyl-5-(2-(1-m...)
Show SMILES CN1CCNc2nc(CCOc3cc(CC(CC(O)=O)c4ccc5OCOc5c4)nn3C)ccc12
Show InChI InChI=1S/C25H29N5O5/c1-29-9-8-26-25-20(29)5-4-18(27-25)7-10-33-23-14-19(28-30(23)2)11-17(13-24(31)32)16-3-6-21-22(12-16)35-15-34-21/h3-6,12,14,17H,7-11,13,15H2,1-2H3,(H,26,27)(H,31,32)
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n/an/a 0.75n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of alphavbeta3 integrin in 293 cells


Bioorg Med Chem Lett 16: 3156-61 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.045
BindingDB Entry DOI: 10.7270/Q29023CB
More data for this
Ligand-Target Pair
ITGAV/ITGB5


(Homo sapiens (Human))
BDBM50185450
PNG
(3-(benzo[d][1,3]dioxol-5-yl)-4-(1-methyl-5-(2-(5,6...)
Show SMILES Cn1nc(CC(CC(O)=O)c2ccc3OCOc3c2)cc1OCCc1ccc2CCCNc2n1
Show InChI InChI=1S/C25H28N4O5/c1-29-23(32-10-8-19-6-4-16-3-2-9-26-25(16)27-19)14-20(28-29)11-18(13-24(30)31)17-5-7-21-22(12-17)34-15-33-21/h4-7,12,14,18H,2-3,8-11,13,15H2,1H3,(H,26,27)(H,30,31)
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n/an/a 0.770n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of alphavbeta5 integrin in 293 cells


Bioorg Med Chem Lett 16: 3156-61 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.045
BindingDB Entry DOI: 10.7270/Q29023CB
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50185455
PNG
(3-(6-methoxypyridin-3-yl)-4-(1-methyl-5-(2-(5,6,7,...)
Show SMILES COc1ccc(cn1)C(CC(O)=O)Cc1cc(OCCc2ccc3CCCNc3n2)n(C)n1
Show InChI InChI=1S/C24H29N5O4/c1-29-22(33-11-9-19-7-5-16-4-3-10-25-24(16)27-19)14-20(28-29)12-18(13-23(30)31)17-6-8-21(32-2)26-15-17/h5-8,14-15,18H,3-4,9-13H2,1-2H3,(H,25,27)(H,30,31)
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n/an/a 0.800n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of alphavbeta3 integrin by SPRA


Bioorg Med Chem Lett 16: 3156-61 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.045
BindingDB Entry DOI: 10.7270/Q29023CB
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50185462
PNG
(3-(benzo[d][1,3]dioxol-5-yl)-4-(1-methyl-5-(2-(5,6...)
Show SMILES Cn1nc(CC(CC(O)=O)c2ccc3OCOc3c2)cc1SCCc1ccc2CCCNc2n1
Show InChI InChI=1S/C25H28N4O4S/c1-29-23(34-10-8-19-6-4-16-3-2-9-26-25(16)27-19)14-20(28-29)11-18(13-24(30)31)17-5-7-21-22(12-17)33-15-32-21/h4-7,12,14,18H,2-3,8-11,13,15H2,1H3,(H,26,27)(H,30,31)
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n/an/a 0.800n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of alphavbeta3 integrin in 293 cells


Bioorg Med Chem Lett 16: 3156-61 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.045
BindingDB Entry DOI: 10.7270/Q29023CB
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50185465
PNG
(3-(benzo[d][1,3]dioxol-5-yl)-4-(1-methyl-5-(2-(1,2...)
Show SMILES Cn1nc(CC(CC(O)=O)c2ccc3OCOc3c2)cc1OCCc1ccc2NCCNc2n1
Show InChI InChI=1S/C24H27N5O5/c1-29-22(32-9-6-17-3-4-19-24(27-17)26-8-7-25-19)13-18(28-29)10-16(12-23(30)31)15-2-5-20-21(11-15)34-14-33-20/h2-5,11,13,16,25H,6-10,12,14H2,1H3,(H,26,27)(H,30,31)
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n/an/a 0.830n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of alphavbeta3 integrin by SPRA


Bioorg Med Chem Lett 16: 3156-61 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.045
BindingDB Entry DOI: 10.7270/Q29023CB
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50185453
PNG
(3-(2-(4-chlorophenyl)thiazol-5-yl)-4-(1-methyl-5-(...)
Show SMILES Cn1nc(CC(CC(O)=O)c2cnc(s2)-c2ccc(Cl)cc2)cc1OCCc1ccc2CCCNc2n1
Show InChI InChI=1S/C27H28ClN5O3S/c1-33-24(36-12-10-21-9-6-17-3-2-11-29-26(17)31-21)15-22(32-33)13-19(14-25(34)35)23-16-30-27(37-23)18-4-7-20(28)8-5-18/h4-9,15-16,19H,2-3,10-14H2,1H3,(H,29,31)(H,34,35)
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n/an/a 0.900n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of alphavbeta3 integrin in 293 cells


Bioorg Med Chem Lett 16: 3156-61 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.045
BindingDB Entry DOI: 10.7270/Q29023CB
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50185459
PNG
(3-(benzo[d][1,3]dioxol-5-yl)-4-(3-(3-(4,5-dihydro-...)
Show SMILES OC(=O)CC(Cc1cc(OCCCN=C2NCCN2)no1)c1ccc2OCOc2c1
Show InChI InChI=1S/C20H24N4O6/c25-19(26)10-14(13-2-3-16-17(9-13)29-12-28-16)8-15-11-18(24-30-15)27-7-1-4-21-20-22-5-6-23-20/h2-3,9,11,14H,1,4-8,10,12H2,(H,25,26)(H2,21,22,23)
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n/an/a 0.900n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of alphavbeta3 integrin by SPRA


Bioorg Med Chem Lett 16: 3156-61 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.045
BindingDB Entry DOI: 10.7270/Q29023CB
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50185454
PNG
(3-(6-methoxypyridin-3-yl)-4-(3-(2-(5,6,7,8-tetrahy...)
Show SMILES COc1ccc(cn1)C(CC(O)=O)Cc1cc(OCCc2ccc3CCCNc3n2)no1
Show InChI InChI=1S/C23H26N4O5/c1-30-20-7-5-16(14-25-20)17(12-22(28)29)11-19-13-21(27-32-19)31-10-8-18-6-4-15-3-2-9-24-23(15)26-18/h4-7,13-14,17H,2-3,8-12H2,1H3,(H,24,26)(H,28,29)
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n/an/a 0.900n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of alphavbeta3 integrin by SPRA


Bioorg Med Chem Lett 16: 3156-61 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.045
BindingDB Entry DOI: 10.7270/Q29023CB
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50185457
PNG
(3-(benzo[d][1,3]dioxol-5-yl)-4-(1-benzyl-5-(2-(5,6...)
Show SMILES OC(=O)CC(Cc1cc(OCCc2ccc3CCCNc3n2)n(Cc2ccccc2)n1)c1ccc2OCOc2c1
Show InChI InChI=1S/C31H32N4O5/c36-30(37)17-24(23-9-11-27-28(16-23)40-20-39-27)15-26-18-29(35(34-26)19-21-5-2-1-3-6-21)38-14-12-25-10-8-22-7-4-13-32-31(22)33-25/h1-3,5-6,8-11,16,18,24H,4,7,12-15,17,19-20H2,(H,32,33)(H,36,37)
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n/an/a 0.900n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of alphavbeta3 integrin in 293 cells


Bioorg Med Chem Lett 16: 3156-61 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.045
BindingDB Entry DOI: 10.7270/Q29023CB
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50185471
PNG
(3-(benzo[d][1,3]dioxol-5-yl)-4-(1-(2-hydroxyethyl)...)
Show SMILES OCCn1nc(CC(CC(O)=O)c2ccc3OCOc3c2)cc1OCCc1ccc2CCCNc2n1
Show InChI InChI=1S/C26H30N4O6/c31-10-9-30-24(34-11-7-20-5-3-17-2-1-8-27-26(17)28-20)15-21(29-30)12-19(14-25(32)33)18-4-6-22-23(13-18)36-16-35-22/h3-6,13,15,19,31H,1-2,7-12,14,16H2,(H,27,28)(H,32,33)
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n/an/a 1n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of alphavbeta3 integrin by SPRA


Bioorg Med Chem Lett 16: 3156-61 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.045
BindingDB Entry DOI: 10.7270/Q29023CB
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50185464
PNG
(3-(benzo[d][1,3]dioxol-5-yl)-4-(3-(2-(5,6,7,8-tetr...)
Show SMILES OC(=O)CC(Cc1cc(OCCc2ccc3CCCNc3n2)no1)c1ccc2OCOc2c1
Show InChI InChI=1S/C24H25N3O6/c28-23(29)12-17(16-4-6-20-21(11-16)32-14-31-20)10-19-13-22(27-33-19)30-9-7-18-5-3-15-2-1-8-25-24(15)26-18/h3-6,11,13,17H,1-2,7-10,12,14H2,(H,25,26)(H,28,29)
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n/an/a 1n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of alphavbeta3 integrin by SPRA


Bioorg Med Chem Lett 16: 3156-61 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.045
BindingDB Entry DOI: 10.7270/Q29023CB
More data for this
Ligand-Target Pair
ITGAV/ITGB5


(Homo sapiens (Human))
BDBM50185470
PNG
(3-(benzo[d][1,3]dioxol-5-yl)-4-(5-(2-(5,6,7,8-tetr...)
Show SMILES OC(=O)CC(Cc1cc(OCCc2ccc3CCCNc3n2)n(CC(F)(F)F)n1)c1ccc2OCOc2c1
Show InChI InChI=1S/C26H27F3N4O5/c27-26(28,29)14-33-23(36-9-7-19-5-3-16-2-1-8-30-25(16)31-19)13-20(32-33)10-18(12-24(34)35)17-4-6-21-22(11-17)38-15-37-21/h3-6,11,13,18H,1-2,7-10,12,14-15H2,(H,30,31)(H,34,35)
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n/an/a 1.03n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of alphavbeta5 integrin in 293 cells


Bioorg Med Chem Lett 16: 3156-61 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.045
BindingDB Entry DOI: 10.7270/Q29023CB
More data for this
Ligand-Target Pair
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