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Compile Data Set for Download or QSAR

Found 1352 hits of ic50 data for polymerid = 5291   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM281282
PNG
(US10022354, Example 222)
Show SMILES CC(C)c1cc([nH]n1)C(=O)N1CC[C@H](C1)NC(=O)[C@H]1C[C@H]1F
PDB
MMDB

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n/an/a 0.0250n/an/an/an/a7.025



University of Auckland





J Med Chem 43: 3134-47 (2000)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM281250
PNG
(US10022354, Example 190)
Show SMILES CCC(C)c1cc([nH]n1)C(=O)N1CC[C@@H](CC(=O)[C@@H]2C[C@@H]2F)C1
PDB
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University of Auckland





J Med Chem 43: 3134-47 (2000)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM281249
PNG
(US10022354, Example 189)
Show SMILES CCC(C)c1cc([nH]n1)C(=O)N1CC[C@@H](CC(=O)[C@H]2C[C@H]2F)C1
PDB
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n/an/a 0.0380n/an/an/an/a7.025



University of Auckland





J Med Chem 43: 3134-47 (2000)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM281103
PNG
(US10022354, Example 43)
Show SMILES CCc1cccn([C@@H]2CCN(C2)C(=O)c2cc(n[nH]2)C(C)C)c1=O
PDB
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n/an/a 0.0390n/an/an/an/a7.025



University of Auckland





J Med Chem 43: 3134-47 (2000)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM281279
PNG
(US10022354, Example 219)
Show SMILES CC(C)c1cc([nH]n1)C(=O)N1C[C@H](O)[C@H](C1)NC(=O)C1CC1
PDB
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University of Auckland





J Med Chem 43: 3134-47 (2000)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM281189
PNG
(US10022354, Example 129)
Show SMILES CCOc1ccccc1C(=O)NC1CCN(C1)C(=O)c1cc(n[nH]1)C(C)C
PDB
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University of Auckland





J Med Chem 43: 3134-47 (2000)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM281089
PNG
(US10022354, Example 29)
Show SMILES CC(C)c1cc([nH]n1)C(=O)N1CC[C@H](C1)NC(=O)C1CC1
PDB
MMDB

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J Med Chem 43: 3134-47 (2000)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM281278
PNG
(US10022354, Example 218)
Show SMILES CC(C)c1cc([nH]n1)C(=O)N1C[C@H](F)[C@H](C1)NC(=O)C1CC1
PDB
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J Med Chem 43: 3134-47 (2000)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM281101
PNG
(US10022354, Example 41)
Show SMILES CC(C)c1cc([nH]n1)C(=O)N1CC[C@H](C1)n1cccc(C2CC2)c1=O
PDB
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University of Auckland





J Med Chem 43: 3134-47 (2000)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM281281
PNG
(US10022354, Example 221)
Show SMILES CC(C)c1cc([nH]n1)C(=O)N1CC[C@H](C1)NC(=O)C1(F)CC1
PDB
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J Med Chem 43: 3134-47 (2000)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM281180
PNG
(US10022354, Example 120)
Show SMILES CC(C)c1cc([nH]n1)C(=O)N1CCC(C1)NC(=O)c1ccc2cc[nH]c2c1
PDB
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University of Auckland





J Med Chem 43: 3134-47 (2000)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM281196
PNG
(US10022354, Example 136)
Show SMILES CC(C)c1cc([nH]n1)C(=O)N1CCC(C1)NC(=O)c1ccccc1OCc1ccccc1
PDB
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n/an/a 0.0540n/an/an/an/a7.025



University of Auckland





J Med Chem 43: 3134-47 (2000)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM281094
PNG
(US10022354, Example 34)
Show SMILES CNC(=O)NC1CCN(C1)C(=O)c1cc(n[nH]1)C(C)C
PDB
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J Med Chem 43: 3134-47 (2000)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM281100
PNG
(US10022354, Example 40)
Show SMILES CC(C)c1cc([nH]n1)C(=O)N1CCC(C1)n1cccc(C)c1=O
PDB
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J Med Chem 43: 3134-47 (2000)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM281188
PNG
(US10022354, Example 128)
Show SMILES CC(C)c1cc([nH]n1)C(=O)N1CCC(C1)NC(=O)C1(C)CC1
PDB
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University of Auckland





J Med Chem 43: 3134-47 (2000)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM281211
PNG
(US10022354, Example 151)
Show SMILES CC(C)c1cc([nH]n1)C(=O)N1CCC(C1)NC(=O)C1CC1
PDB
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University of Auckland





J Med Chem 43: 3134-47 (2000)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM281240
PNG
(US10022354, Example 180)
Show SMILES CCCOc1ccccc1C(=O)NC1CCN(C1)C(=O)c1cc(n[nH]1)C(C)C
PDB
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University of Auckland





J Med Chem 43: 3134-47 (2000)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM281181
PNG
(US10022354, Example 121)
Show SMILES CC(C)c1cc([nH]n1)C(=O)N1CCC(C1)NC(=O)c1ccc2[nH]ccc2c1
PDB
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University of Auckland





J Med Chem 43: 3134-47 (2000)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM281172
PNG
(US10022354, Example 112)
Show SMILES CC(C)c1cc([nH]n1)C(=O)N1CCC(C1)NC(=O)c1ccn(C)n1
PDB
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University of Auckland





J Med Chem 43: 3134-47 (2000)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM281194
PNG
(US10022354, Example 134)
Show SMILES CC(C)c1cc([nH]n1)C(=O)N1CCC(C1)NC(=O)C1(C)CCC1
PDB
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University of Auckland





J Med Chem 43: 3134-47 (2000)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM281218
PNG
(US10022354, Example 158)
Show SMILES COc1ccccc1C(=O)NC1CCN(C1)C(=O)c1cc(n[nH]1)C(C)C
PDB
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University of Auckland





J Med Chem 43: 3134-47 (2000)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM281284
PNG
(US10022354, Example 224)
Show SMILES CC(C)c1cc([nH]n1)C(=O)N1CC[C@H](C1)NC(=O)C1(C)CC1
PDB
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J Med Chem 43: 3134-47 (2000)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM281216
PNG
(US10022354, Example 156)
Show SMILES CC(C)c1cc([nH]n1)C(=O)N1CCC(C1)NC(=O)c1cccc(F)c1
PDB
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University of Auckland





J Med Chem 43: 3134-47 (2000)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM281215
PNG
(US10022354, Example 155)
Show SMILES CC(C)c1cc([nH]n1)C(=O)N1CCC(C1)NC(=O)c1ccccc1F
PDB
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University of Auckland





J Med Chem 43: 3134-47 (2000)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM281195
PNG
(US10022354, Example 135)
Show SMILES CC(C)c1cc([nH]n1)C(=O)N1CCC(C1)NC(=O)c1ccc2cc[nH]c2n1
PDB
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University of Auckland





J Med Chem 43: 3134-47 (2000)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM281177
PNG
(US10022354, Example 117)
Show SMILES S.CC(C)c1cc([nH]n1)C(=O)N1CC[C@@H](C1)NC(=O)c1ccccc1
PDB
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University of Auckland





J Med Chem 43: 3134-47 (2000)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM281288
PNG
(US10022354, Example 228)
Show SMILES CC(C)c1cc([nH]n1)C(=O)N1CC[C@H](C1)NC(=O)C1CC11CC1
PDB
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J Med Chem 43: 3134-47 (2000)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM281243
PNG
(US10022354, Example 183)
Show SMILES CC(C)c1cc([nH]n1)C(=O)N1CC[C@H](C1)NC(=O)c1ccccc1
PDB
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University of Auckland





J Med Chem 43: 3134-47 (2000)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM281237
PNG
(US10022354, Example 177)
Show SMILES CC(C)c1cc([nH]n1)C(=O)N1CCC(C1)NC(=O)c1ccc2[nH]ccc2n1
PDB
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J Med Chem 43: 3134-47 (2000)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM281238
PNG
(US10022354, Example 178)
Show SMILES CC(C)c1cc([nH]n1)C(=O)N1CCC(C1)NC(=O)c1ccc2n(C)ccc2c1
PDB
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J Med Chem 43: 3134-47 (2000)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM281102
PNG
(US10022354, Example 42)
Show SMILES CC(C)c1cc([nH]n1)C(=O)N1CC[C@H](C1)n1cccc(C(C)C)c1=O
PDB
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J Med Chem 43: 3134-47 (2000)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM281212
PNG
(US10022354, Example 152)
Show SMILES CC(C)c1cc([nH]n1)C(=O)N1CCC(C1)NC(=O)C1CCC1
PDB
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J Med Chem 43: 3134-47 (2000)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM281095
PNG
(US10022354, Example 35)
Show SMILES CC(C)NC(=O)NC1CCN(C1)C(=O)c1cc(n[nH]1)C(C)C
PDB
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J Med Chem 43: 3134-47 (2000)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM281093
PNG
(US10022354, Example 33)
Show SMILES CC(C)c1cc([nH]n1)C(=O)N1CCC(C1)NC(=O)NC1CC1
PDB
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J Med Chem 43: 3134-47 (2000)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM281261
PNG
(US10022354, Example 201)
Show SMILES CC(C)Oc1ccccc1C(=O)NC1CCN(C1)C(=O)c1cc(n[nH]1)C(C)C
PDB
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J Med Chem 43: 3134-47 (2000)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM281073
PNG
(US10022354, Example 13)
Show SMILES COc1cc(cc(n1)C1CCN(C1)C(=O)c1cc(n[nH]1)C(C)C)-c1cnn(C)c1
PDB
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J Med Chem 43: 3134-47 (2000)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM281210
PNG
(US10022354, Example 150)
Show SMILES CC(C)c1cc([nH]n1)C(=O)N1CCC(C1)NC(=O)c1ccccc1Cl
PDB
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J Med Chem 43: 3134-47 (2000)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM277770
PNG
(3-({5-fluoro-1-[(3R)-tetrahydrofuran-3-yl]-1H-inda...)
Show SMILES OC(=O)c1ccncc1Nc1nn([C@@H]2CCOC2)c2ccc(F)cc12
PDB
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J Med Chem 39: 1823-35 (1996)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM277771
PNG
(3-{[5-fluoro-1-(tetrahydrofuran-3-yl)-1H-indol-3-y...)
Show SMILES OC(=O)c1ccncc1Nc1cn(C2CCOC2)c2ccc(F)cc12
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n/an/a<0.100n/an/an/an/an/an/a



University of Auckland





J Med Chem 39: 1823-35 (1996)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM277772
PNG
(3-{[5-chloro-1-(tetrahydrofuran-3-yl)-1H-indazol-3...)
Show SMILES OC(=O)c1ccncc1Nc1nn(C2CCOC2)c2ccc(Cl)cc12
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n/an/a<0.100n/an/an/an/an/an/a



University of Auckland





J Med Chem 39: 1823-35 (1996)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM277773
PNG
(N-cyano-3-({5-fluoro-1-[(3S)-tetrahydrofuran-3-yl]...)
Show SMILES Fc1ccc2n(nc(Nc3cnccc3C(=O)NC#N)c2c1)[C@H]1CCOC1
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n/an/a<0.100n/an/an/an/an/an/a



University of Auckland





J Med Chem 39: 1823-35 (1996)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM277774
PNG
(3-({1-[2-(3,3-difluoropyrrolidin-1yl)ethyl]-5-fluo...)
Show SMILES OC(=O)c1ccncc1Nc1nn(CCN2CCC(F)(F)C2)c2ccc(F)cc12
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n/an/a<0.100n/an/an/an/an/an/a



University of Auckland





J Med Chem 39: 1823-35 (1996)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM277775
PNG
(N-cyano-3-({1-[2-(3,3-difluoropyrrolidin-1yl)ethyl...)
Show SMILES Fc1ccc2n(CCN3CCC(F)(F)C3)nc(Nc3cnccc3C(=O)NC#N)c2c1
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n/an/a<0.100n/an/an/an/an/an/a



University of Auckland





J Med Chem 39: 1823-35 (1996)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM191597
PNG
(3-((1-(2-(4,4-difluoropiperidin-1-yl)ethyl)-5-fluo...)
Show SMILES OC(=O)c1ccncc1Nc1nn(CCN2CCC(F)(F)CC2)c2ccc(F)cc12
Show InChI InChI=1S/C20H20F3N5O2/c21-13-1-2-17-15(11-13)18(25-16-12-24-6-3-14(16)19(29)30)26-28(17)10-9-27-7-4-20(22,23)5-8-27/h1-3,6,11-12H,4-5,7-10H2,(H,25,26)(H,29,30)
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n/an/a<0.100n/an/an/an/an/an/a



University of Auckland





J Med Chem 39: 1823-35 (1996)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM277777
PNG
(N-cyano-3-({1-[2-(4,4-difluoropiperidin-1yl)ethyl]...)
Show SMILES Fc1ccc2n(CCN3CCC(F)(F)CC3)nc(Nc3cnccc3C(=O)NC#N)c2c1
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n/an/a<0.100n/an/an/an/an/an/a



University of Auckland





J Med Chem 39: 1823-35 (1996)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM50158803
PNG
(CHEMBL3787438 | US10040779, Example 75 | US9617242...)
Show SMILES CC(C)Cn1nc(Nc2cnccc2C(=O)NC#N)c2cc(F)ccc12
Show InChI InChI=1S/C18H17FN6O/c1-11(2)9-25-16-4-3-12(19)7-14(16)17(24-25)23-15-8-21-6-5-13(15)18(26)22-10-20/h3-8,11H,9H2,1-2H3,(H,22,26)(H,23,24)
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n/an/a<0.100n/an/an/an/an/an/a



University of Auckland





J Med Chem 39: 1823-35 (1996)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM277779
PNG
(N-cyano-3-({1-[4-(dimethylamino)butyl]-5-fluoro-1H...)
Show SMILES CN(C)CCCCn1nc(Nc2cnccc2C(=O)NC#N)c2cc(F)ccc12
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n/an/a<0.100n/an/an/an/an/an/a



University of Auckland





J Med Chem 39: 1823-35 (1996)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM277780
PNG
(N-cyano-3-({5-fluoro-1-[2-(pyrrolidin-1-yl)ethyl]-...)
Show SMILES Fc1ccc2n(CCN3CCCC3)nc(Nc3cnccc3C(=O)NC#N)c2c1
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n/an/a<0.100n/an/an/an/an/an/a



University of Auckland





J Med Chem 39: 1823-35 (1996)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM277781
PNG
(3-({5-chloro-1-[2-(pyrrolidin-1-yl)ethyl]-1H-indaz...)
Show SMILES OC(=O)c1ccncc1Nc1nn(CCN2CCCC2)c2ccc(Cl)cc12
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n/an/a<0.100n/an/an/an/an/an/a



University of Auckland





J Med Chem 39: 1823-35 (1996)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM277782
PNG
(N-cyano-3-({5-chloro-1-[2-(pyrrolidin-1-yl)ethyl]-...)
Show SMILES Clc1ccc2n(CCN3CCCC3)nc(Nc3cnccc3C(=O)NC#N)c2c1
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n/an/a<0.100n/an/an/an/an/an/a



University of Auckland





J Med Chem 39: 1823-35 (1996)

More data for this
Ligand-Target Pair
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