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Compile Data Set for Download or QSAR

Found 123 hits with Last Name = 'park' and Initial = 'se'   
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 1


(Homo sapiens (Human))
BDBM50537869
PNG
(CHEMBL4638367)
Show SMILES Oc1ccc(cc1)[C@@H]1Oc2ccc(\C=C\c3cc(O)cc(O)c3O)cc2[C@H]1c1cc(O)cc(O)c1O |r|
Show InChI InChI=1S/C28H22O8/c29-17-6-4-15(5-7-17)28-25(21-11-19(31)13-23(33)27(21)35)20-9-14(2-8-24(20)36-28)1-3-16-10-18(30)12-22(32)26(16)34/h1-13,25,28-35H/b3-1+/t25-,28-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
920n/an/an/an/an/an/an/an/a



Kyungpook National University

Curated by ChEMBL


Assay Description
Inhibition of PTP1B (unknown origin) assessed as decrease in p-nitrophenolate formation using using pNPP as substrate by Dixon plot analysis


J Nat Prod 83: 323-332 (2020)


Article DOI: 10.1021/acs.jnatprod.9b00777
BindingDB Entry DOI: 10.7270/Q2GM8BVJ
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50537867
PNG
(CHEMBL4649760)
Show SMILES Oc1ccc(cc1)[C@H]1Oc2ccc(\C=C\c3cc(O)cc(O)c3O)cc2[C@@H]1c1cc(O)cc(O)c1O |r|
Show InChI InChI=1S/C28H22O8/c29-17-6-4-15(5-7-17)28-25(21-11-19(31)13-23(33)27(21)35)20-9-14(2-8-24(20)36-28)1-3-16-10-18(30)12-22(32)26(16)34/h1-13,25,28-35H/b3-1+/t25-,28-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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Article
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1.02E+3n/an/an/an/an/an/an/an/a



Kyungpook National University

Curated by ChEMBL


Assay Description
Inhibition of PTP1B (unknown origin) assessed as decrease in p-nitrophenolate formation using using pNPP as substrate by Dixon plot analysis


J Nat Prod 83: 323-332 (2020)


Article DOI: 10.1021/acs.jnatprod.9b00777
BindingDB Entry DOI: 10.7270/Q2GM8BVJ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50240612
PNG
(CHEMBL306946 | GNF-PF-2691 | Indolo[2,1-b]quinazol...)
Show SMILES O=C1c2ccccc2-n2c1nc1ccccc1c2=O
Show InChI InChI=1S/C15H8N2O2/c18-13-10-6-2-4-8-12(10)17-14(13)16-11-7-3-1-5-9(11)15(17)19/h1-8H
PDB
MMDB

NCI pathway
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KEGG

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CHEMBL
MCE
KEGG
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 64n/an/an/an/an/an/a



Yeungnam University

Curated by ChEMBL


Assay Description
Inhibition of COX2


Bioorg Med Chem 20: 4962-7 (2012)


Article DOI: 10.1016/j.bmc.2012.06.034
BindingDB Entry DOI: 10.7270/Q2833T3J
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2


(Homo sapiens (Human))
BDBM635795
PNG
(US20230365530, Example 9)
Show SMILES COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1C#CCCN(C)C)N1CCC2(CCCC2)C1
PDB

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Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2


(Homo sapiens (Human))
BDBM635798
PNG
(US20230365530, Example 12)
Show SMILES COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1C#CCCN1CCCCC1)N1CCCCC1
PDB

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Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2


(Homo sapiens (Human))
BDBM635800
PNG
(US20230365530, Example 14)
Show SMILES COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1C#CCCN(C)C)N(C)C
PDB

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Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2


(Homo sapiens (Human))
BDBM635802
PNG
(US20230365530, Example 16 | US20230365530, Example...)
Show SMILES COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1C#CCCN1CCCC1)N1CCCCC1
PDB

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Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2


(Homo sapiens (Human))
BDBM635803
PNG
(US20230365530, Example 17)
Show SMILES COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1C#CCCN(C)C)N1CCCN(C)CC1
PDB

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Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2


(Homo sapiens (Human))
BDBM635810
PNG
(US20230365530, Example 24)
Show SMILES COc1cc2c(NC3CCN(CC3)C3CC3)nc(nc2cc1C#CCCN(C)C)N1CCCCC1
PDB

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Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2


(Homo sapiens (Human))
BDBM635822
PNG
(US20230365530, Example 36)
Show SMILES COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1C#CCCN1CCCC1)N1CCCCCC1
PDB

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Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2


(Homo sapiens (Human))
BDBM635828
PNG
(US20230365530, Example 42)
Show SMILES COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1C#CCCN1CCCC1)N1CCCC1
PDB

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Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2


(Homo sapiens (Human))
BDBM635829
PNG
(US20230365530, Example 43)
Show SMILES COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1C#CCCN1CCCCC1)N1CCCC1
PDB

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Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2


(Homo sapiens (Human))
BDBM635830
PNG
(US20230365530, Example 44)
Show SMILES COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1C#CCCN1CCCCC1)N(C)C
PDB

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Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2


(Homo sapiens (Human))
BDBM635831
PNG
(US20230365530, Example 45)
Show SMILES COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1C#CCCN1CCCCC1)N1CCCN(C)CC1
PDB

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Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2


(Homo sapiens (Human))
BDBM635832
PNG
(US20230365530, Example 46)
Show SMILES COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1C#CCCN1CCCC1)N1C[C@@H]2C[C@@H]2[C@@H]1CO |r|
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Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2


(Homo sapiens (Human))
BDBM635833
PNG
(US20230365530, Example 47)
Show SMILES COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1C#CCCN1CCCCC1)N1C[C@@H]2C[C@@H]2[C@@H]1CO |r|
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Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2


(Homo sapiens (Human))
BDBM635834
PNG
(US20230365530, Example 48)
Show SMILES COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1C#CCCN1CCCC1)N1CCCN(C)CC1
PDB

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Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2


(Homo sapiens (Human))
BDBM635835
PNG
(US20230365530, Example 49)
Show SMILES COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1C#CCCN1CCCC1)N(C)C
PDB

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Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2


(Homo sapiens (Human))
BDBM635836
PNG
(US20230365530, Example 50)
Show SMILES CCN1CCC(CC1)Nc1nc(nc2cc(C#CCCN(C)C)c(OC)cc12)N1CCCCC1
PDB

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Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2


(Homo sapiens (Human))
BDBM635837
PNG
(US20230365530, Example 51)
Show SMILES CCN1CCC(CC1)Nc1nc(nc2cc(C#CCCN3CCCC3)c(OC)cc12)N1CCCCC1
PDB

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Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2


(Homo sapiens (Human))
BDBM635838
PNG
(US20230365530, Example 52)
Show SMILES COc1cc2c(NCCN(C)C)nc(nc2cc1C#CCCN1CCCC1)N1CCCC1
PDB

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Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2


(Homo sapiens (Human))
BDBM635839
PNG
(US20230365530, Example 53)
Show SMILES COc1cc2c(NC3CCN(CC3)C3CC3)nc(nc2cc1C#CCCN1CCCC1)N1CCCCC1
PDB

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Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2


(Homo sapiens (Human))
BDBM635840
PNG
(US20230365530, Example 54)
Show SMILES COc1cc2c(NC3CCN(CC3)C3CC3)nc(nc2cc1C#CCCN1CCCC1)N1CCCC1
PDB

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Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2


(Homo sapiens (Human))
BDBM635875
PNG
(US20230365530, Example 89)
Show SMILES COc1cc2c(NC3CCN(CCO)CC3)nc(nc2cc1C#CCCN1CCCC1)N1CC[C@@H](F)C1 |r|
PDB

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Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2


(Homo sapiens (Human))
BDBM635842
PNG
(US20230365530, Example 56)
Show SMILES COc1cc2c(NC3CCN(CC3)C3CC3)nc(nc2cc1C#CCCN1CCCC1)N1CCCN(C)CC1
PDB

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Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2


(Homo sapiens (Human))
BDBM635843
PNG
(US20230365530, Example 57)
Show SMILES COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1C#CCCN1CCCC1)N1CC[C@H](F)C1 |r|
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Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2


(Homo sapiens (Human))
BDBM635844
PNG
(US20230365530, Example 58)
Show SMILES COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1C#CCCN1CCCC1)N1CC(F)(F)C1
PDB

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Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2


(Homo sapiens (Human))
BDBM635845
PNG
(US20230365530, Example 59)
Show SMILES COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1C#CCCN1CCCC1)N1CC(F)C1
PDB

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Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2


(Homo sapiens (Human))
BDBM635846
PNG
(US20230365530, Example 60)
Show SMILES COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1C#CCCN1CCCC1)N1CC[C@@H](F)C1 |r|
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Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2


(Homo sapiens (Human))
BDBM635847
PNG
(US20230365530, Example 61)
Show SMILES COc1cc2c(NCCN(C)C)nc(nc2cc1C#CCCN1CCCC1)N(C)C
PDB

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Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2


(Homo sapiens (Human))
BDBM635848
PNG
(US20230365530, Example 62)
Show SMILES COc1cc2c(NCCN(C)C)nc(nc2cc1C#CCCN1CCCC1)N1CCCN(C)CC1
PDB

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Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2


(Homo sapiens (Human))
BDBM635849
PNG
(US20230365530, Example 63)
Show SMILES CCN1CCC(CC1)Nc1nc(nc2cc(C#CCCN3CCCC3)c(OC)cc12)N(C)C
PDB

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Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2


(Homo sapiens (Human))
BDBM635850
PNG
(US20230365530, Example 64)
Show SMILES CCN1CCC(CC1)Nc1nc(nc2cc(C#CCCN3CCCC3)c(OC)cc12)N1CCCC1
PDB

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Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2


(Homo sapiens (Human))
BDBM635851
PNG
(US20230365530, Example 65)
Show SMILES CCN1CCC(CC1)Nc1nc(nc2cc(C#CCCN3CCCC3)c(OC)cc12)N1CCCN(C)CC1
PDB

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Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2


(Homo sapiens (Human))
BDBM635852
PNG
(US20230365530, Example 66)
Show SMILES COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1\C=C\CCN1CCCCC1)N1CCCCC1
PDB

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Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2


(Homo sapiens (Human))
BDBM635853
PNG
(US20230365530, Example 67)
Show SMILES CCCN1CCC(CC1)Nc1nc(nc2cc(C#CCCN3CCCC3)c(OC)cc12)N1CCCCC1
PDB

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Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2


(Homo sapiens (Human))
BDBM635854
PNG
(US20230365530, Example 68)
Show SMILES CCCN1CCC(CC1)Nc1nc(nc2cc(C#CCCN3CCCC3)c(OC)cc12)N1CCCC1
PDB

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Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2


(Homo sapiens (Human))
BDBM635855
PNG
(US20230365530, Example 69)
Show SMILES COc1cc2c(NC3CCN(CCO)CC3)nc(nc2cc1C#CCCN1CCCC1)N1CCCCC1
PDB

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Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2


(Homo sapiens (Human))
BDBM635856
PNG
(US20230365530, Example 70)
Show SMILES COc1cc2c(NC3CCN(CCO)CC3)nc(nc2cc1C#CCCN1CCCC1)N1CCCC1
PDB

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Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2


(Homo sapiens (Human))
BDBM635858
PNG
(US20230365530, Example 72)
Show SMILES CCN1CCC(CC1)Nc1nc(nc2cc(C#CCCN3CCCC3)c(OC)cc12)N1CC[C@H](F)C1 |r|
PDB

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Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2


(Homo sapiens (Human))
BDBM635859
PNG
(US20230365530, Example 73)
Show SMILES COc1cc2c(NC3CC(C)(C)NC(C)(C)C3)nc(nc2cc1C#CCCN1CCCC1)N1CCCC1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a<100n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2


(Homo sapiens (Human))
BDBM635861
PNG
(US20230365530, Example 75)
Show SMILES COc1cc2c(NC3CCN(CC3)C3CC3)nc(nc2cc1C#CCCN1CCCC1)N1CC[C@H](F)C1 |r|
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a<100n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2


(Homo sapiens (Human))
BDBM635863
PNG
(US20230365530, Example 77)
Show SMILES CCN1CCC(CC1)Nc1nc(nc2cc(C#CCCN3CCCC3)c(OC)cc12)N1CC[C@@H](F)C1 |r|
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a<100n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2


(Homo sapiens (Human))
BDBM635864
PNG
(US20230365530, Example 78)
Show SMILES CCN1CCC(CC1)Nc1nc(nc2cc(C#CCCN3CC[C@H](F)C3)c(OC)cc12)N1CCCC1 |r|
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a<100n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2


(Homo sapiens (Human))
BDBM635868
PNG
(US20230365530, Example 82)
Show SMILES COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1C#CCCN1CCCC1)N(C)CC(=O)OC(C)(C)C
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a<100n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2


(Homo sapiens (Human))
BDBM635869
PNG
(US20230365530, Example 83)
Show SMILES CCCN1CCC(CC1)Nc1nc(nc2cc(C#CCCN3CCCC3)c(OC)cc12)N(C)C
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a<100n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2


(Homo sapiens (Human))
BDBM635870
PNG
(US20230365530, Example 84)
Show SMILES CCCN1CCC(CC1)Nc1nc(nc2cc(C#CCCN3CCCC3)c(OC)cc12)N1CC[C@@H](F)C1 |r|
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a<100n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2


(Homo sapiens (Human))
BDBM635871
PNG
(US20230365530, Example 85)
Show SMILES COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1\C=C\CCN1CCCC1)N1CCCC1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a<100n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2


(Homo sapiens (Human))
BDBM635873
PNG
(US20230365530, Example 87)
Show SMILES COc1cc2c(NC3CCN(CCO)CC3)nc(nc2cc1C#CCCN1CCCC1)N(C)C
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a<100n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2


(Homo sapiens (Human))
BDBM635794
PNG
(US20230365530, Example 8)
Show SMILES COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1C#CCCN(C)C)N1CCCCCC1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a<100n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
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