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Compile Data Set for Download or QSAR

Found 63 hits Enz. Inhib. hit(s) with all data for entry = 50019054   
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
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM50615001
PNG
(CHEMBL5267582)
Show SMILES [H][C@@]12CCN(C[C@]1([H])[C@@]2(CN)c1nc(C)cs1)c1cnc2c(n[nH]c2n1)-c1ccc2nc(C)sc2c1Cl |r|
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
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PC cid
PC sid
UniChem
n/an/a 2n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM50615002
PNG
(CHEMBL5282278)
Show SMILES [H][C@@]12CCN(C[C@]1([H])[C@@]2(CN)c1nc(C)cs1)c1cnc2c(n[nH]c2n1)-c1ccn2nccc2c1Cl |r|
PDB
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PC sid
UniChem
n/an/a 3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM50614997
PNG
(CHEMBL5281311)
Show SMILES [H][C@@]12CCN(C[C@]1([H])[C@]2(CN)c1nc(C)cs1)c1cnc2c(n[nH]c2n1)-c1cccc(Cl)c1Cl |r|
PDB
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PC cid
PC sid
UniChem
n/an/a 3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM50615009
PNG
(CHEMBL5271919 | US20240109900, Example 496)
Show SMILES [H][C@]12CN(C[C@@]1([H])[C@]2(CN)c1cccc(C)n1)c1cnc2c(n[nH]c2n1)-c1ccc2nn(C)cc2c1Cl |r|
PDB
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PC sid
UniChem
n/an/a 4n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM50546219
PNG
(CHEMBL4752026 | US11596633, Compound B | US1170239...)
Show SMILES C[C@@H]1OCC2(CCN(CC2)c2nc(C)c(nc2CO)-c2cccc(Cl)c2Cl)[C@@H]1N |r|
PDB
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Purchase

MCE
PC cid
PC sid
UniChem
n/an/a 4n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM50615013
PNG
(CHEMBL5268577 | US20240109900, Example 490)
Show SMILES [H][C@]12CN(C[C@@]1([H])[C@]2(CN)c1cnsn1)c1cnc2c(n[nH]c2n1)-c1ccc2nn(C)cc2c1Cl |r|
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n/an/a 4n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM50615015
PNG
(CHEMBL5289856 | US20240109900, Example 486)
Show SMILES [H][C@]12CN(C[C@@]1([H])[C@]2(CN)c1nccs1)c1cnc2c(n[nH]c2n1)-c1ccc2nn(C)cc2c1Cl |r|
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n/an/a 4n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM50615005
PNG
(CHEMBL5291336 | US20240109900, Example 458)
Show SMILES [H][C@]12CN(C[C@@]1([H])[C@]2(CN)c1nc(C)cs1)c1cnc2c(n[nH]c2n1)-c1ccn2nccc2c1Cl |r|
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n/an/a 4n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM50614995
PNG
(CHEMBL5270277)
Show SMILES [H][C@@]12CCN(C[C@]1([H])[C@@]2(CN)c1ccccn1)c1cnc2c(n[nH]c2n1)-c1cccc(Cl)c1Cl |r|
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UniChem
n/an/a 5n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM50615006
PNG
(CHEMBL5290261 | US20240109900, Example 457)
Show SMILES [H][C@]12CN(C[C@@]1([H])[C@]2(CN)c1nc(C)cs1)c1cnc2c(n[nH]c2n1)-c1ccc2nn(C)cc2c1Cl |r|
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PC sid
UniChem
n/an/a 5n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM50615016
PNG
(CHEMBL5272403 | US20240109900, Example 488)
Show SMILES [H][C@]12CN(C[C@@]1([H])[C@]2(CN)c1nc(Cl)cs1)c1cnc2c(n[nH]c2n1)-c1ccc2nn(C)cc2c1Cl |r|
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UniChem
n/an/a 5n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM50615008
PNG
(CHEMBL5273026)
Show SMILES [H][C@]12CN(C[C@@]1([H])[C@]2(CN)c1ccccn1)c1cnc2c(n[nH]c2n1)-c1ccc2nn(C)cc2c1Cl |r|
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UniChem
n/an/a 5n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM50615004
PNG
(CHEMBL5275370 | US20240109900, Example 461)
Show SMILES [H][C@]12CN(C[C@@]1([H])[C@]2(CN)c1nc(C)cs1)c1cnc2c(n[nH]c2n1)-c1ccc2nc(C)sc2c1Cl |r|
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n/an/a 5n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM50615014
PNG
(CHEMBL5270851 | US20240109900, Example 485)
Show SMILES [H][C@]12CN(C[C@@]1([H])[C@]2(CN)c1csc(C)n1)c1cnc2c(n[nH]c2n1)-c1ccc2nn(C)cc2c1Cl |r|
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UniChem
n/an/a 6n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM50615003
PNG
(CHEMBL5278658 | US20240109900, Example 79)
Show SMILES [H][C@@]12CCN(C[C@]1([H])[C@@]2(CN)c1nc(C)cs1)c1cnc2c(n[nH]c2n1)-c1ccc2nn(C)cc2c1Cl |r|
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UniChem
n/an/a 6n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM50614996
PNG
(CHEMBL5290513 | US20240109900, Example 78)
Show SMILES [H][C@@]12CCN(C[C@]1([H])[C@@]2(CN)c1nc(C)cs1)c1cnc2c(n[nH]c2n1)-c1cccc(Cl)c1Cl |r|
PDB
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UniChem
n/an/a 6n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM50615011
PNG
(CHEMBL5278669 | US20240109900, Example 474)
Show SMILES [H][C@]12CN(C[C@@]1([H])[C@]2(CN)c1ccn(C)n1)c1cnc2c(n[nH]c2n1)-c1ccc2nn(C)cc2c1Cl |r|
PDB
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UniChem
n/an/a 7n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM50614994
PNG
(CHEMBL5275479)
Show SMILES [H][C@@]12CCN(C[C@]1([H])[C@@]2(CN)c1ccsc1)c1cnc2c(n[nH]c2n1)-c1cccc(Cl)c1Cl |r|
PDB
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PC sid
UniChem
n/an/a 8n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM50614992
PNG
(CHEMBL5290180)
Show SMILES [H][C@@]12CCN(C[C@]1([H])[C@@]2(CN)c1ccccc1)c1cnc2c(n[nH]c2n1)-c1cccc(Cl)c1Cl |r|
PDB
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UniChem
n/an/a 9n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM50615007
PNG
(CHEMBL5283063 | US20240109900, Example 491)
Show SMILES [H][C@]12CN(C[C@@]1([H])[C@]2(CN)c1ccccc1)c1cnc2c(n[nH]c2n1)-c1ccc2nn(C)cc2c1Cl |r|
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n/an/a 9n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM50614988
PNG
(CHEMBL5269824)
Show SMILES [H][C@@]12CCN(C[C@]1([H])[C@@]2(CN)c1nc(C)cs1)c1nc2nc(Sc3cccnc3C(F)(F)F)cnc2[nH]1 |r|
PDB
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PC cid
PC sid
UniChem
n/an/a 9n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM50615012
PNG
(CHEMBL5275866 | US20240109900, Example 501)
Show SMILES [H][C@]12CN(C[C@@]1([H])[C@]2(CN)c1nnc(C)s1)c1cnc2c(n[nH]c2n1)-c1ccc2nn(C)cc2c1Cl |r|
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UniChem
n/an/a 10n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50615002
PNG
(CHEMBL5282278)
Show SMILES [H][C@@]12CCN(C[C@]1([H])[C@@]2(CN)c1nc(C)cs1)c1cnc2c(n[nH]c2n1)-c1ccn2nccc2c1Cl |r|
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UniChem
n/an/a 12n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM50615017
PNG
(CHEMBL5285837)
Show SMILES [H][C@]12CN(C[C@@]1([H])[C@]2(CN)c1nc(cs1)C(F)(F)F)c1cnc2c(n[nH]c2n1)-c1ccc2nn(C)cc2c1Cl |r|
PDB
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PC cid
PC sid
UniChem
n/an/a 12n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM50614987
PNG
(CHEMBL5271480)
Show SMILES [H][C@@]12CCN(C[C@]1([H])[C@@]2(CN)c1ccccn1)c1nc2nc(Sc3cccnc3C(F)(F)F)cnc2[nH]1 |r|
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UniChem
n/an/a 17n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50615001
PNG
(CHEMBL5267582)
Show SMILES [H][C@@]12CCN(C[C@]1([H])[C@@]2(CN)c1nc(C)cs1)c1cnc2c(n[nH]c2n1)-c1ccc2nc(C)sc2c1Cl |r|
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n/an/a 24n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM50615000
PNG
(CHEMBL5277819)
Show SMILES [H][C@@]12CCN(C[C@]1([H])[C@@]2(CN)c1ccsc1)c1cnc2c(n[nH]c2n1)-c1cccnc1C(F)(F)F |r|
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n/an/a 34n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50614995
PNG
(CHEMBL5270277)
Show SMILES [H][C@@]12CCN(C[C@]1([H])[C@@]2(CN)c1ccccn1)c1cnc2c(n[nH]c2n1)-c1cccc(Cl)c1Cl |r|
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n/an/a 42n/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM50615010
PNG
(CHEMBL5287742)
Show SMILES [H][C@]12CN(C[C@@]1([H])[C@]2(CN)n1ccc(C)n1)c1cnc2c(n[nH]c2n1)-c1ccc2nn(C)cc2c1Cl |r|
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n/an/a 49n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM50614986
PNG
(CHEMBL5278251)
Show SMILES [H][C@@]12CCN(C[C@]1([H])[C@@]2(CN)c1ccsc1)c1nc2nc(Sc3cccnc3C(F)(F)F)cnc2[nH]1 |r|
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n/an/a 54n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM50614999
PNG
(CHEMBL5286868)
Show SMILES [H][C@@]12CCN(C[C@]1([H])[C@@]2(CN)c1nc(C)cs1)c1cnc2c(n[nH]c2n1)-c1cccnc1C(F)(F)F |r|
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n/an/a 55n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50614997
PNG
(CHEMBL5281311)
Show SMILES [H][C@@]12CCN(C[C@]1([H])[C@]2(CN)c1nc(C)cs1)c1cnc2c(n[nH]c2n1)-c1cccc(Cl)c1Cl |r|
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n/an/a 58n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM50614991
PNG
(CHEMBL5270502)
Show SMILES [H][C@@]12CCN(C[C@]1([H])[C@@]2(CN)c1nc(C)cs1)c1cnc(Sc2cccnc2C(F)(F)F)c(N)n1 |r|
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n/an/a 65n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM50614990
PNG
(CHEMBL5275625)
Show SMILES [H][C@@]12CCN(C[C@]1([H])[C@@]2(CN)c1ccccn1)c1cnc(Sc2cccnc2C(F)(F)F)c(N)n1 |r|
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n/an/a 68n/an/an/an/an/an/a


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More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM50614984
PNG
(CHEMBL5282533)
Show SMILES [H][C@@]12CCN(C[C@]1([H])[C@@]2(CN)c1ccccc1)c1nc2nc(Sc3cccnc3C(F)(F)F)cnc2[nH]1 |r|
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n/an/a 94n/an/an/an/an/an/a


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More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50615003
PNG
(CHEMBL5278658 | US20240109900, Example 79)
Show SMILES [H][C@@]12CCN(C[C@]1([H])[C@@]2(CN)c1nc(C)cs1)c1cnc2c(n[nH]c2n1)-c1ccc2nn(C)cc2c1Cl |r|
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More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50614994
PNG
(CHEMBL5275479)
Show SMILES [H][C@@]12CCN(C[C@]1([H])[C@@]2(CN)c1ccsc1)c1cnc2c(n[nH]c2n1)-c1cccc(Cl)c1Cl |r|
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More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50615005
PNG
(CHEMBL5291336 | US20240109900, Example 458)
Show SMILES [H][C@]12CN(C[C@@]1([H])[C@]2(CN)c1nc(C)cs1)c1cnc2c(n[nH]c2n1)-c1ccn2nccc2c1Cl |r|
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More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50614996
PNG
(CHEMBL5290513 | US20240109900, Example 78)
Show SMILES [H][C@@]12CCN(C[C@]1([H])[C@@]2(CN)c1nc(C)cs1)c1cnc2c(n[nH]c2n1)-c1cccc(Cl)c1Cl |r|
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More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM50614989
PNG
(CHEMBL5290376)
Show SMILES [H][C@@]12CCN(C[C@]1([H])[C@@]2(CN)c1ccccc1)c1cnc(Sc2cccnc2C(F)(F)F)c(N)n1 |r|
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More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM50614998
PNG
(CHEMBL5288787)
Show SMILES [H][C@]12CCN(C[C@@]1([H])[C@@]2(CN)c1nc(C)cs1)c1cnc2c(n[nH]c2n1)-c1cccc(Cl)c1Cl |r|
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n/an/a 370n/an/an/an/an/an/a


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More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50614992
PNG
(CHEMBL5290180)
Show SMILES [H][C@@]12CCN(C[C@]1([H])[C@@]2(CN)c1ccccc1)c1cnc2c(n[nH]c2n1)-c1cccc(Cl)c1Cl |r|
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More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50614998
PNG
(CHEMBL5288787)
Show SMILES [H][C@]12CCN(C[C@@]1([H])[C@@]2(CN)c1nc(C)cs1)c1cnc2c(n[nH]c2n1)-c1cccc(Cl)c1Cl |r|
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More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM50614985
PNG
(CHEMBL5289830)
Show SMILES [H][C@@]12CCN(C[C@]1([H])[C@@]2(N)c1ccccc1)c1nc2nc(Sc3cccnc3C(F)(F)F)cnc2[nH]1 |r|
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n/an/a 1.42E+3n/an/an/an/an/an/a


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More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM50614993
PNG
(CHEMBL5266654)
Show SMILES [H][C@@]12CCN(C[C@]1([H])[C@@]2(N)c1ccccc1)c1cnc2c(n[nH]c2n1)-c1cccc(Cl)c1Cl |r|
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n/an/a 1.46E+3n/an/an/an/an/an/a


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More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50615004
PNG
(CHEMBL5275370 | US20240109900, Example 461)
Show SMILES [H][C@]12CN(C[C@@]1([H])[C@]2(CN)c1nc(C)cs1)c1cnc2c(n[nH]c2n1)-c1ccc2nc(C)sc2c1Cl |r|
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n/an/a 1.66E+3n/an/an/an/an/an/a


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More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50546219
PNG
(CHEMBL4752026 | US11596633, Compound B | US1170239...)
Show SMILES C[C@@H]1OCC2(CCN(CC2)c2nc(C)c(nc2CO)-c2cccc(Cl)c2Cl)[C@@H]1N |r|
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n/an/a 3.35E+3n/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50614999
PNG
(CHEMBL5286868)
Show SMILES [H][C@@]12CCN(C[C@]1([H])[C@@]2(CN)c1nc(C)cs1)c1cnc2c(n[nH]c2n1)-c1cccnc1C(F)(F)F |r|
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n/an/a 5.06E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50615007
PNG
(CHEMBL5283063 | US20240109900, Example 491)
Show SMILES [H][C@]12CN(C[C@@]1([H])[C@]2(CN)c1ccccc1)c1cnc2c(n[nH]c2n1)-c1ccc2nn(C)cc2c1Cl |r|
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n/an/a 5.35E+3n/an/an/an/an/an/a


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More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50615000
PNG
(CHEMBL5277819)
Show SMILES [H][C@@]12CCN(C[C@]1([H])[C@@]2(CN)c1ccsc1)c1cnc2c(n[nH]c2n1)-c1cccnc1C(F)(F)F |r|
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n/an/a 5.56E+3n/an/an/an/an/an/a


TBA



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Ligand-Target Pair
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