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Patent code US9540352

Compile Data Set for Download or QSAR
Found 14 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
Dopamine D1 receptor


(Homo sapiens (Human))
BDBM200951
PNG
(6-[4-(isoquinolin-1-yloxy)-2-methylphenyl]-1,5-dim...)
Show SMILES Cc1cc(Oc2nccc3ccccc23)ccc1-c1c(C)c(=O)[nH]c(=O)n1C
Show InChI InChI=1S/C22H19N3O3/c1-13-12-16(28-21-18-7-5-4-6-15(18)10-11-23-21)8-9-17(13)19-14(2)20(26)24-22(27)25(19)3/h4-12H,1-3H3,(H,24,26,27)
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UniChem
US Patent
1.90n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The affinity of the compounds described herein was determined by competition binding assays similar to those described in Ryman-Rasmussen et al., Dif...


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D1 receptor


(Homo sapiens (Human))
BDBM200985
PNG
(5-[4-(isoquinolin-1-yloxy)-2-methylphenyl]-
Show SMILES Cc1cc(Oc2nccc3ccccc23)ccc1-c1c(C)n[nH]c(=O)c1C
Show InChI InChI=1S/C22H19N3O2/c1-13-12-17(27-22-19-7-5-4-6-16(19)10-11-23-22)8-9-18(13)20-14(2)21(26)25-24-15(20)3/h4-12H,1-3H3,(H,25,26)
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UniChem
US Patent
7.80n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The affinity of the compounds described herein was determined by competition binding assays similar to those described in Ryman-Rasmussen et al., Dif...


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D1 receptor


(Homo sapiens (Human))
BDBM200843
PNG
(1,5-dimethyl-6-[2-methyl-4-(1,7-naphthyridin-8-ylo...)
Show SMILES Cc1cc(Oc2nccc3cccnc23)ccc1-c1c(C)c(=O)[nH]c(=O)n1C
Show InChI InChI=1S/C21H18N4O3/c1-12-11-15(28-20-17-14(8-10-23-20)5-4-9-22-17)6-7-16(12)18-13(2)19(26)24-21(27)25(18)3/h4-11H,1-3H3,(H,24,26,27)
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US Patent
28.5n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The affinity of the compounds described herein was determined by competition binding assays similar to those described in Ryman-Rasmussen et al., Dif...


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D1 receptor


(Homo sapiens (Human))
BDBM200931
PNG
((−)-4,6-dimethyl-5-[2-methyl-4-(1,7-naphthyr...)
Show SMILES Cc1cc(Oc2nccc3cccnc23)ccc1-c1c(C)n[nH]c(=O)c1C
Show InChI InChI=1S/C21H18N4O2/c1-12-11-16(27-21-19-15(8-10-23-21)5-4-9-22-19)6-7-17(12)18-13(2)20(26)25-24-14(18)3/h4-11H,1-3H3,(H,25,26)
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UniChem
US Patent
102n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The affinity of the compounds described herein was determined by competition binding assays similar to those described in Ryman-Rasmussen et al., Dif...


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D1 receptor


(Homo sapiens (Human))
BDBM200975
PNG
(8-[4-(4,6-dimethylpyrimidin-5-yl)-3-
Show SMILES Cc1cc(Oc2nccc3cccnc23)ccc1-c1c(C)ncnc1C
Show InChI InChI=1S/C21H18N4O/c1-13-11-17(6-7-18(13)19-14(2)24-12-25-15(19)3)26-21-20-16(8-10-23-21)5-4-9-22-20/h4-12H,1-3H3
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US Patent
105n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The affinity of the compounds described herein was determined by competition binding assays similar to those described in Ryman-Rasmussen et al., Dif...


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D1 receptor


(Homo sapiens (Human))
BDBM200895
PNG
((+)-4,6-dimethyl-5-[2-methyl-4-(1,7-naphthyridin-8...)
Show SMILES Cc1cc(Oc2nccc3cccnc23)ccc1-c1c(C)n[nH]c(=O)c1C
Show InChI InChI=1S/C21H18N4O2/c1-12-11-16(27-21-19-15(8-10-23-21)5-4-9-22-19)6-7-17(12)18-13(2)20(26)25-24-14(18)3/h4-11H,1-3H3,(H,25,26)
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UniChem
US Patent
115n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The affinity of the compounds described herein was determined by competition binding assays similar to those described in Ryman-Rasmussen et al., Dif...


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D1 receptor


(Homo sapiens (Human))
BDBM200976
PNG
(1,5-dimethyl-6-[4-(1,7-naphthyridin-8-yloxy)
Show SMILES Cc1c(-c2ccc(Oc3nccc4cccnc34)cc2)n(C)c(=O)[nH]c1=O
Show InChI InChI=1S/C20H16N4O3/c1-12-17(24(2)20(26)23-18(12)25)14-5-7-15(8-6-14)27-19-16-13(9-11-22-19)4-3-10-21-16/h3-11H,1-2H3,(H,23,25,26)
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UniChem
US Patent
119n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The affinity of the compounds described herein was determined by competition binding assays similar to those described in Ryman-Rasmussen et al., Dif...


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D1 receptor


(Homo sapiens (Human))
BDBM200983
PNG
(4,6-dimethyl-5-[2-methyl-4-(1,6-naphthyridin-
Show SMILES Cc1cc(Oc2nccc3ncccc23)ccc1-c1c(C)n[nH]c(=O)c1C
Show InChI InChI=1S/C21H18N4O2/c1-12-11-15(27-21-17-5-4-9-22-18(17)8-10-23-21)6-7-16(12)19-13(2)20(26)25-24-14(19)3/h4-11H,1-3H3,(H,25,26)
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UniChem
US Patent
124n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The affinity of the compounds described herein was determined by competition binding assays similar to those described in Ryman-Rasmussen et al., Dif...


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D1 receptor


(Homo sapiens (Human))
BDBM200977
PNG
(4,6-dimethyl-5-[2-methyl-4-(2,7-naphthyridin-
Show SMILES Cc1cc(Oc2nccc3ccncc23)ccc1-c1c(C)n[nH]c(=O)c1C
Show InChI InChI=1S/C21H18N4O2/c1-12-10-16(27-21-18-11-22-8-6-15(18)7-9-23-21)4-5-17(12)19-13(2)20(26)25-24-14(19)3/h4-11H,1-3H3,(H,25,26)
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UniChem
US Patent
141n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The affinity of the compounds described herein was determined by competition binding assays similar to those described in Ryman-Rasmussen et al., Dif...


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D1 receptor


(Homo sapiens (Human))
BDBM200988
PNG
(5-{4-[(7-methoxyisoquinolin-1-yl)oxy]-2-methylphen...)
Show SMILES COc1ccc2ccnc(Oc3ccc(c(C)c3)-c3c(C)n[nH]c(=O)c3C)c2c1
Show InChI InChI=1S/C23H21N3O3/c1-13-11-18(7-8-19(13)21-14(2)22(27)26-25-15(21)3)29-23-20-12-17(28-4)6-5-16(20)9-10-24-23/h5-12H,1-4H3,(H,26,27)
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UniChem
US Patent
186n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The affinity of the compounds described herein was determined by competition binding assays similar to those described in Ryman-Rasmussen et al., Dif...


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D1 receptor


(Homo sapiens (Human))
BDBM200936
PNG
(4,6-dimethyl-5-[4-(1,7-naphthyridin-8-yloxy)phenyl...)
Show SMILES Cc1n[nH]c(=O)c(C)c1-c1ccc(Oc2nccc3cccnc23)cc1
Show InChI InChI=1S/C20H16N4O2/c1-12-17(13(2)23-24-19(12)25)14-5-7-16(8-6-14)26-20-18-15(9-11-22-20)4-3-10-21-18/h3-11H,1-2H3,(H,24,25)
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UniProtKB/SwissProt

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UniChem
US Patent
205n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The affinity of the compounds described herein was determined by competition binding assays similar to those described in Ryman-Rasmussen et al., Dif...


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D1 receptor


(Homo sapiens (Human))
BDBM200990
PNG
(1-[4-(3,5-dimethyl-6-oxo-1,6-
Show SMILES Cc1cc(Oc2nccc3cccc(C#N)c23)ccc1-c1c(C)n[nH]c(=O)c1C
Show InChI InChI=1S/C23H18N4O2/c1-13-11-18(7-8-19(13)20-14(2)22(28)27-26-15(20)3)29-23-21-16(9-10-25-23)5-4-6-17(21)12-24/h4-11H,1-3H3,(H,27,28)
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UniProtKB/SwissProt

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PC sid
UniChem
US Patent
261n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The affinity of the compounds described herein was determined by competition binding assays similar to those described in Ryman-Rasmussen et al., Dif...


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D1 receptor


(Homo sapiens (Human))
BDBM200978
PNG
(4,6-dimethyl-5-[2-methyl-4-(pyrido[3,4-b]
Show SMILES Cc1cc(Oc2nccc3nccnc23)ccc1-c1c(C)n[nH]c(=O)c1C
Show InChI InChI=1S/C20H17N5O2/c1-11-10-14(27-20-18-16(6-7-23-20)21-8-9-22-18)4-5-15(11)17-12(2)19(26)25-24-13(17)3/h4-10H,1-3H3,(H,25,26)
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UniProtKB/SwissProt

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UniChem
US Patent
306n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The affinity of the compounds described herein was determined by competition binding assays similar to those described in Ryman-Rasmussen et al., Dif...


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D1 receptor


(Homo sapiens (Human))
BDBM200989
PNG
(1-[4-(3,5-dimethyl-6-oxo-1,6-
Show SMILES Cc1cc(Oc2nccc3ccc(cc23)C#N)ccc1-c1c(C)n[nH]c(=O)c1C
Show InChI InChI=1S/C23H18N4O2/c1-13-10-18(6-7-19(13)21-14(2)22(28)27-26-15(21)3)29-23-20-11-16(12-24)4-5-17(20)8-9-25-23/h4-11H,1-3H3,(H,27,28)
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UniProtKB/SwissProt

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UniChem
US Patent
334n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The affinity of the compounds described herein was determined by competition binding assays similar to those described in Ryman-Rasmussen et al., Dif...


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