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Compile Data Set for Download or QSAR

Found 34 hits Enz. Inhib. hit(s) with all data for entry = 11739   
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
Nuclear receptor subfamily 1 group D member 2


(Homo sapiens (Human))
BDBM643177
PNG
(US20240002380, Example 3)
Show SMILES Cn1cnc2ccc(Oc3ccccc3-c3ccccc3)nc12
PDB
MMDB

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More data for this
Ligand-Target Pair
Nuclear receptor subfamily 1 group D member 1


(Homo sapiens (Human))
BDBM643200
PNG
(US20240002380, Example 62)
Show SMILES COc1ccc2c(cc(SCC(=O)NCCc3ccc(F)cc3)nc2c1)C(F)(F)F
PDB
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Ligand-Target Pair
Nuclear receptor subfamily 1 group D member 2


(Homo sapiens (Human))
BDBM643199
PNG
(US20240002380, Example 59)
Show SMILES O(c1ccc2ccncc2n1)c1ccccc1-c1ccccc1
PDB
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Ligand-Target Pair
Nuclear receptor subfamily 1 group D member 1


(Homo sapiens (Human))
BDBM643199
PNG
(US20240002380, Example 59)
Show SMILES O(c1ccc2ccncc2n1)c1ccccc1-c1ccccc1
PDB
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Ligand-Target Pair
Nuclear receptor subfamily 1 group D member 1


(Homo sapiens (Human))
BDBM643196
PNG
(US20240002380, Example 54)
Show SMILES O(c1ccc2ccncc2n1)c1cccc2ccccc12
PDB
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Ligand-Target Pair
Nuclear receptor subfamily 1 group D member 1


(Homo sapiens (Human))
BDBM643193
PNG
(US20240002380, Example 48)
Show SMILES C1CCC(CC1)c1ccccc1Oc1ccc2ccncc2n1
PDB
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Ligand-Target Pair
Nuclear receptor subfamily 1 group D member 2


(Homo sapiens (Human))
BDBM643191
PNG
(US20240002380, Example 45)
Show SMILES O(c1ccc2cnccc2n1)c1ccccc1-c1ccccn1
PDB
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Ligand-Target Pair
Nuclear receptor subfamily 1 group D member 2


(Homo sapiens (Human))
BDBM643190
PNG
(US20240002380, Example 44)
Show SMILES FC(F)(F)c1ccccc1Oc1ccc2ccncc2n1
PDB
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Ligand-Target Pair
Nuclear receptor subfamily 1 group D member 1


(Homo sapiens (Human))
BDBM643189
PNG
(US20240002380, Example 36)
Show SMILES COc1ccc2c(cc(Oc3ccccc3-c3ccccn3)nc2c1)C(F)(F)F
PDB
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Ligand-Target Pair
Nuclear receptor subfamily 1 group D member 1


(Homo sapiens (Human))
BDBM643187
PNG
(US20240002380, Example 24)
Show SMILES O(c1ccc2cnccc2n1)c1ccccc1-c1ccccc1
PDB
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Ligand-Target Pair
Nuclear receptor subfamily 1 group D member 1


(Homo sapiens (Human))
BDBM643186
PNG
(US20240002380, Example 22)
Show SMILES O(c1ncc2cnccc2n1)c1ccccc1-c1ccccc1
PDB
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Ligand-Target Pair
Nuclear receptor subfamily 1 group D member 1


(Homo sapiens (Human))
BDBM643184
PNG
(US20240002380, Example 17)
Show SMILES CNc1cccc(c1)-c1ccccc1Oc1ncc2ccn(C)c2n1
PDB
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Ligand-Target Pair
Nuclear receptor subfamily 1 group D member 2


(Homo sapiens (Human))
BDBM643181
PNG
(US20240002380, Example 10)
Show SMILES Cn1ncc2cnc(Oc3ccccc3-c3cccnc3)nc12
PDB
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More data for this
Ligand-Target Pair
Nuclear receptor subfamily 1 group D member 1


(Homo sapiens (Human))
BDBM643181
PNG
(US20240002380, Example 10)
Show SMILES Cn1ncc2cnc(Oc3ccccc3-c3cccnc3)nc12
PDB
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Ligand-Target Pair
Nuclear receptor subfamily 1 group D member 1


(Homo sapiens (Human))
BDBM643180
PNG
(US20240002380, Example 6)
Show SMILES Cn1cnc2ccc(Oc3ccccc3-c3cccnc3)nc12
PDB
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Ligand-Target Pair
Nuclear receptor subfamily 1 group D member 1


(Homo sapiens (Human))
BDBM643179
PNG
(US20240002380, Example 5)
Show SMILES Cn1cnc2ccc(Oc3ccccc3-c3cccc(F)c3)nc12
PDB
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Ligand-Target Pair
Nuclear receptor subfamily 1 group D member 1


(Homo sapiens (Human))
BDBM643202
PNG
(US20240002380, Example 70)
Show SMILES O(c1ccc2ccccc2c1)c1ccc2ccncc2n1
PDB
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Ligand-Target Pair
Nuclear receptor subfamily 1 group D member 2


(Homo sapiens (Human))
BDBM643178
PNG
(US20240002380, Example 4)
Show SMILES Cc1cccc(c1)-c1ccccc1Oc1ccc2ncn(C)c2n1
PDB
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Ligand-Target Pair
Nuclear receptor subfamily 1 group D member 1


(Homo sapiens (Human))
BDBM643201
PNG
(US20240002380, Example 68)
Show SMILES O(c1ccc2ncccc2n1)c1ccccc1-c1ccccc1
PDB
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More data for this
Ligand-Target Pair
Nuclear receptor subfamily 1 group D member 1


(Homo sapiens (Human))
BDBM643177
PNG
(US20240002380, Example 3)
Show SMILES Cn1cnc2ccc(Oc3ccccc3-c3ccccc3)nc12
PDB
MMDB

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Ligand-Target Pair
Nuclear receptor subfamily 1 group D member 1


(Homo sapiens (Human))
BDBM643183
PNG
(US20240002380, Example 14)
Show SMILES Cn1ncc2ccc(Oc3ccccc3-c3cccc(F)c3)nc12
PDB
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Ligand-Target Pair
Nuclear receptor subfamily 1 group D member 2


(Homo sapiens (Human))
BDBM643179
PNG
(US20240002380, Example 5)
Show SMILES Cn1cnc2ccc(Oc3ccccc3-c3cccc(F)c3)nc12
PDB
MMDB

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Ligand-Target Pair
Nuclear receptor subfamily 1 group D member 1


(Homo sapiens (Human))
BDBM643192
PNG
(US20240002380, Example 46)
Show SMILES FC(F)(F)c1ccccc1Oc1ccc2cnccc2n1
PDB
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Ligand-Target Pair
Nuclear receptor subfamily 1 group D member 1


(Homo sapiens (Human))
BDBM643194
PNG
(US20240002380, Example 49)
Show SMILES C1CCC(CC1)c1ccccc1Oc1ccc2cnccc2n1
PDB
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Ligand-Target Pair
Nuclear receptor subfamily 1 group D member 1


(Homo sapiens (Human))
BDBM643198
PNG
(US20240002380, Example 57)
Show SMILES C1CCC(CC1)Oc1ccc2ccncc2n1
PDB
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Ligand-Target Pair
Nuclear receptor subfamily 1 group D member 1


(Homo sapiens (Human))
BDBM643191
PNG
(US20240002380, Example 45)
Show SMILES O(c1ccc2cnccc2n1)c1ccccc1-c1ccccn1
PDB
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More data for this
Ligand-Target Pair
Nuclear receptor subfamily 1 group D member 2


(Homo sapiens (Human))
BDBM643197
PNG
(US20240002380, Example 56)
Show SMILES O(c1ccc2cnccc2n1)c1cccc2ccccc12
PDB
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More data for this
Ligand-Target Pair
Nuclear receptor subfamily 1 group D member 2


(Homo sapiens (Human))
BDBM643192
PNG
(US20240002380, Example 46)
Show SMILES FC(F)(F)c1ccccc1Oc1ccc2cnccc2n1
PDB
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Ligand-Target Pair
Nuclear receptor subfamily 1 group D member 2


(Homo sapiens (Human))
BDBM643201
PNG
(US20240002380, Example 68)
Show SMILES O(c1ccc2ncccc2n1)c1ccccc1-c1ccccc1
PDB
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Ligand-Target Pair
Nuclear receptor subfamily 1 group D member 1


(Homo sapiens (Human))
BDBM643182
PNG
(US20240002380, Example 13)
Show SMILES Cc1cccc(c1)-c1ccccc1Oc1ccc2cnn(C)c2n1
PDB
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Ligand-Target Pair
Nuclear receptor subfamily 1 group D member 1


(Homo sapiens (Human))
BDBM643185
PNG
(US20240002380, Example 21)
Show SMILES Cc1nn(C)c2cnc(Oc3ccccc3-c3ccccc3)nc12
PDB
MMDB

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Ligand-Target Pair
Nuclear receptor subfamily 1 group D member 2


(Homo sapiens (Human))
BDBM643195
PNG
(US20240002380, Example 51)
Show SMILES O(c1cccc(c1)-c1ccccc1)c1ccc2ccncc2n1
PDB
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Ligand-Target Pair
Nuclear receptor subfamily 1 group D member 1


(Homo sapiens (Human))
BDBM643197
PNG
(US20240002380, Example 56)
Show SMILES O(c1ccc2cnccc2n1)c1cccc2ccccc12
PDB
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Ligand-Target Pair
Nuclear receptor subfamily 1 group D member 2


(Homo sapiens (Human))
BDBM643188
PNG
(US20240002380, Example 34)
Show SMILES FC(F)(F)c1cc(Oc2ccccc2-c2ccccc2)nc2ccccc12
PDB
MMDB

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Ligand-Target Pair