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Patent code US10611751

Compile Data Set for Download or QSAR
Found 15 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
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM435884
PNG
(2-(2-chloro-6-fluorophenyl)-1- ((1S,3R)-3-(hydroxy...)
Show SMILES C[C@@H]1N([C@@H](CO)Cc2c1cccc2-c1cnn(c1)C1COC1)C(=O)Cc1c(F)cccc1Cl
Show InChI InChI=1S/C25H25ClFN3O3/c1-15-19-4-2-5-20(16-10-28-29(11-16)18-13-33-14-18)21(19)8-17(12-31)30(15)25(32)9-22-23(26)6-3-7-24(22)27/h2-7,10-11,15,17-18,31H,8-9,12-14H2,1H3/t15-,17+/m0/s1
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n/an/an/an/a 42.2n/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
The PAM activity of the compounds of the present invention may be measured essentially as described in Svensson et al., An Allosteric Potentiator of ...


US Patent US10611751 (2020)

More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM435987
PNG
(2-(2,6-difluorophenyl)-1- ((1S,3R)-3-(hydroxymethy...)
Show SMILES C[C@@H]1N([C@@H](CO)Cc2c1cccc2-c1cn[nH]c1)C(=O)Cc1c(F)cccc1F
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n/an/an/an/a 127n/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
The PAM activity of the compounds of the present invention may be measured essentially as described in Svensson et al., An Allosteric Potentiator of ...


US Patent US10611751 (2020)

More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM435897
PNG
(2-(2-chlorophenyl)-1-((1S,3R)- 3-(hydroxymethyl)-1...)
Show SMILES C[C@@H]1N([C@@H](CO)Cc2c1cccc2-c1cnn(C)c1)C(=O)Cc1ccccc1Cl
Show InChI InChI=1S/C23H24ClN3O2/c1-15-19-7-5-8-20(17-12-25-26(2)13-17)21(19)11-18(14-28)27(15)23(29)10-16-6-3-4-9-22(16)24/h3-9,12-13,15,18,28H,10-11,14H2,1-2H3/t15-,18+/m0/s1
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n/an/an/an/a 81.2n/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
The PAM activity of the compounds of the present invention may be measured essentially as described in Svensson et al., An Allosteric Potentiator of ...


US Patent US10611751 (2020)

More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM435904
PNG
(2-(2,6-dichlorophenyl)-1-((1S,3R)-3-(hydroxymethyl...)
Show SMILES C[C@@H]1N([C@@H](CO)Cc2c1cccc2-c1cn[nH]c1)C(=O)Cc1c(Cl)cccc1Cl
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n/an/an/an/a 13.4n/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
The PAM activity of the compounds of the present invention may be measured essentially as described in Svensson et al., An Allosteric Potentiator of ...


US Patent US10611751 (2020)

More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM435952
PNG
(2-(2-chloro-6-fluorophenyl)-1-((1S,3R)-3-(hydroxym...)
Show SMILES C[C@@H]1N([C@@H](CO)Cc2c1cccc2-c1cn[nH]c1)C(=O)Cc1c(F)cccc1Cl
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n/an/an/an/a 28n/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
The PAM activity of the compounds of the present invention may be measured essentially as described in Svensson et al., An Allosteric Potentiator of ...


US Patent US10611751 (2020)

More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM436043
PNG
(2-(2-chloro-5-fluorophenyl)-1- ((1S,3R)-3-(hydroxy...)
Show SMILES C[C@@H]1N([C@@H](CO)Cc2c1cccc2-c1cn[nH]c1)C(=O)Cc1cc(F)ccc1Cl
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n/an/an/an/a 112n/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
The PAM activity of the compounds of the present invention may be measured essentially as described in Svensson et al., An Allosteric Potentiator of ...


US Patent US10611751 (2020)

More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM436045
PNG
(2-(2-fluorophenyl)-1-((1S,3R)- 3-(hydroxymethyl)-1...)
Show SMILES C[C@@H]1N([C@@H](CO)Cc2c1cccc2-c1cn[nH]c1)C(=O)Cc1ccccc1F
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n/an/an/an/a 484n/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
The PAM activity of the compounds of the present invention may be measured essentially as described in Svensson et al., An Allosteric Potentiator of ...


US Patent US10611751 (2020)

More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM436047
PNG
(2-(2,5-difluorophenyl)-1- ((1S,3R)-3-(hydroxymethy...)
Show SMILES C[C@@H]1N([C@@H](CO)Cc2c1cccc2-c1cn[nH]c1)C(=O)Cc1cc(F)ccc1F
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n/an/an/an/a 836n/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
The PAM activity of the compounds of the present invention may be measured essentially as described in Svensson et al., An Allosteric Potentiator of ...


US Patent US10611751 (2020)

More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM436046
PNG
(2-(2,3-difluorophenyl)-1- ((1S,3R)-3-(hydroxymethy...)
Show SMILES C[C@@H]1N([C@@H](CO)Cc2c1cccc2-c1cn[nH]c1)C(=O)Cc1cccc(F)c1F
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n/an/an/an/a 677n/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
The PAM activity of the compounds of the present invention may be measured essentially as described in Svensson et al., An Allosteric Potentiator of ...


US Patent US10611751 (2020)

More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM436044
PNG
(2-(2-chloro-4-fluorophenyl)-1- ((1S,3R)-3-(hydroxy...)
Show SMILES C[C@@H]1N([C@@H](CO)Cc2c1cccc2-c1cn[nH]c1)C(=O)Cc1ccc(F)cc1Cl
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n/an/an/an/a 540n/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
The PAM activity of the compounds of the present invention may be measured essentially as described in Svensson et al., An Allosteric Potentiator of ...


US Patent US10611751 (2020)

More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM435739
PNG
(2-(2,6-dichlorophenyl)-1-((1S,3R)-3-(hydroxymethyl...)
Show SMILES C[C@@H]1N([C@@H](CO)Cc2c1cccc2-c1cnn(C)c1)C(=O)Cc1c(Cl)cccc1Cl
Show InChI InChI=1S/C23H23Cl2N3O2/c1-14-17-5-3-6-18(15-11-26-27(2)12-15)19(17)9-16(13-29)28(14)23(30)10-20-21(24)7-4-8-22(20)25/h3-8,11-12,14,16,29H,9-10,13H2,1-2H3/t14-,16+/m0/s1
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n/an/an/an/a 16.4n/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
The PAM activity of the compounds of the present invention may be measured essentially as described in Svensson et al., An Allosteric Potentiator of ...


US Patent US10611751 (2020)

More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM435778
PNG
(2-(2,6-dichlorophenyl)-1- ((1S,3R)-3-(hydroxymethy...)
Show SMILES C[C@@H]1N([C@@H](CO)Cc2c1cccc2-c1cnn(c1)C1COC1)C(=O)Cc1c(Cl)cccc1Cl
Show InChI InChI=1S/C25H25Cl2N3O3/c1-15-19-4-2-5-20(16-10-28-29(11-16)18-13-33-14-18)21(19)8-17(12-31)30(15)25(32)9-22-23(26)6-3-7-24(22)27/h2-7,10-11,15,17-18,31H,8-9,12-14H2,1H3/t15-,17+/m0/s1
PDB

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n/an/an/an/a 28.5n/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
The PAM activity of the compounds of the present invention may be measured essentially as described in Svensson et al., An Allosteric Potentiator of ...


US Patent US10611751 (2020)

More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM435791
PNG
(1-((1S,3R)-5-(1-(2-(l1- oxidaneyl)ethyl)-1H-pyrazo...)
Show SMILES C[C@@H]1N([C@@H](CO)Cc2c1cccc2-c1cnn(CCO)c1)C(=O)Cc1ccccc1Cl
Show InChI InChI=1S/C24H26ClN3O3/c1-16-20-6-4-7-21(18-13-26-27(14-18)9-10-29)22(20)12-19(15-30)28(16)24(31)11-17-5-2-3-8-23(17)25/h2-8,13-14,16,19,29-30H,9-12,15H2,1H3/t16-,19+/m0/s1
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n/an/an/an/a 18.3n/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
The PAM activity of the compounds of the present invention may be measured essentially as described in Svensson et al., An Allosteric Potentiator of ...


US Patent US10611751 (2020)

More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM435774
PNG
(1-((1S,3R)-5-(1-cyclopropyl- 1H-pyrazol-4-yl)-3- (...)
Show SMILES C[C@@H]1N([C@@H](CO)Cc2c1cccc2-c1cnn(c1)C1CC1)C(=O)Cc1c(Cl)cccc1Cl
Show InChI InChI=1S/C25H25Cl2N3O2/c1-15-19-4-2-5-20(16-12-28-29(13-16)17-8-9-17)21(19)10-18(14-31)30(15)25(32)11-22-23(26)6-3-7-24(22)27/h2-7,12-13,15,17-18,31H,8-11,14H2,1H3/t15-,18+/m0/s1
PDB

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n/an/an/an/a 287n/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
The PAM activity of the compounds of the present invention may be measured essentially as described in Svensson et al., An Allosteric Potentiator of ...


US Patent US10611751 (2020)

More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM435762
PNG
(2-(2,6-dichlorophenyl)-1- ((1S,3R)-5-(1-ethyl-1H- ...)
Show SMILES CCn1cc(cn1)-c1cccc2[C@H](C)N([C@@H](CO)Cc12)C(=O)Cc1c(Cl)cccc1Cl
Show InChI InChI=1S/C24H25Cl2N3O2/c1-3-28-13-16(12-27-28)19-7-4-6-18-15(2)29(17(14-30)10-20(18)19)24(31)11-21-22(25)8-5-9-23(21)26/h4-9,12-13,15,17,30H,3,10-11,14H2,1-2H3/t15-,17+/m0/s1
PDB

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n/an/an/an/a 172n/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
The PAM activity of the compounds of the present invention may be measured essentially as described in Svensson et al., An Allosteric Potentiator of ...


US Patent US10611751 (2020)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%