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Compile Data Set for Download or QSAR

Found 39 hits with Last Name = 'tukachinsky' and Initial = 'h'   
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
Nicotinamide N-methyltransferase


(Homo sapiens (Human))
BDBM50607544
PNG
(CHEMBL5220889)
Show SMILES C[C@@H]1Cc2c(N1)ncc(C(N)=O)c2C |r|
PDB

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n/an/a 12n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01166
BindingDB Entry DOI: 10.7270/Q2H41WHH
More data for this
Ligand-Target Pair
Nicotinamide N-methyltransferase


(Homo sapiens (Human))
BDBM50607545
PNG
(CHEMBL5220024)
Show SMILES C[C@H]1Nc2ncc(cc2[C@@H]1C)C(N)=O |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01166
BindingDB Entry DOI: 10.7270/Q2H41WHH
More data for this
Ligand-Target Pair
Nicotinamide N-methyltransferase


(Homo sapiens (Human))
BDBM50607541
PNG
(CHEMBL5221106)
Show SMILES Cc1c2CCNc2ncc1C(N)=O
PDB

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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01166
BindingDB Entry DOI: 10.7270/Q2H41WHH
More data for this
Ligand-Target Pair
Nicotinamide N-methyltransferase


(Homo sapiens (Human))
BDBM50607539
PNG
(CHEMBL5218573)
Show SMILES CNc1cc(C)c(cn1)C(N)=O
PDB

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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01166
BindingDB Entry DOI: 10.7270/Q2H41WHH
More data for this
Ligand-Target Pair
Nicotinamide N-methyltransferase


(Homo sapiens (Human))
BDBM50607543
PNG
(CHEMBL5220590)
Show SMILES C[C@@H]1Cc2cc(cnc2N1)C(N)=O |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01166
BindingDB Entry DOI: 10.7270/Q2H41WHH
More data for this
Ligand-Target Pair
Nicotinamide N-methyltransferase


(Homo sapiens (Human))
BDBM50607543
PNG
(CHEMBL5220590)
Show SMILES C[C@@H]1Cc2cc(cnc2N1)C(N)=O |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01166
BindingDB Entry DOI: 10.7270/Q2H41WHH
More data for this
Ligand-Target Pair
Nicotinamide N-methyltransferase


(Homo sapiens (Human))
BDBM50607544
PNG
(CHEMBL5220889)
Show SMILES C[C@@H]1Cc2c(N1)ncc(C(N)=O)c2C |r|
PDB

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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01166
BindingDB Entry DOI: 10.7270/Q2H41WHH
More data for this
Ligand-Target Pair
Nicotinamide N-methyltransferase


(Homo sapiens (Human))
BDBM50607562
PNG
(CHEMBL5220955)
Show SMILES C[C@@H]1Cc2c(N1)ncc(C(N)=O)c2Cl |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01166
BindingDB Entry DOI: 10.7270/Q2H41WHH
More data for this
Ligand-Target Pair
Nicotinamide N-methyltransferase


(Homo sapiens (Human))
BDBM50557606
PNG
(CHEMBL4791213)
Show SMILES CC(C)(F)CCCNc1ncc(C(N)=O)c(NC2(CO)CC2)n1
PDB

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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01166
BindingDB Entry DOI: 10.7270/Q2H41WHH
More data for this
Ligand-Target Pair
Nicotinamide N-methyltransferase


(Homo sapiens (Human))
BDBM50607542
PNG
(CHEMBL5219823)
Show SMILES NC(=O)c1cnc2NCCc2c1Cl
PDB

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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01166
BindingDB Entry DOI: 10.7270/Q2H41WHH
More data for this
Ligand-Target Pair
Nicotinamide N-methyltransferase


(Homo sapiens (Human))
BDBM50607542
PNG
(CHEMBL5219823)
Show SMILES NC(=O)c1cnc2NCCc2c1Cl
PDB

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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01166
BindingDB Entry DOI: 10.7270/Q2H41WHH
More data for this
Ligand-Target Pair
Nicotinamide N-methyltransferase


(Homo sapiens (Human))
BDBM50607541
PNG
(CHEMBL5221106)
Show SMILES Cc1c2CCNc2ncc1C(N)=O
PDB

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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01166
BindingDB Entry DOI: 10.7270/Q2H41WHH
More data for this
Ligand-Target Pair
Nicotinamide N-methyltransferase


(Homo sapiens (Human))
BDBM50607545
PNG
(CHEMBL5220024)
Show SMILES C[C@H]1Nc2ncc(cc2[C@@H]1C)C(N)=O |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01166
BindingDB Entry DOI: 10.7270/Q2H41WHH
More data for this
Ligand-Target Pair
Nicotinamide N-methyltransferase


(Homo sapiens (Human))
BDBM50607540
PNG
(CHEMBL5218546)
Show SMILES NC(=O)c1cnc2NCCc2c1
PDB

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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01166
BindingDB Entry DOI: 10.7270/Q2H41WHH
More data for this
Ligand-Target Pair
Nicotinamide N-methyltransferase


(Homo sapiens (Human))
BDBM50607540
PNG
(CHEMBL5218546)
Show SMILES NC(=O)c1cnc2NCCc2c1
PDB

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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01166
BindingDB Entry DOI: 10.7270/Q2H41WHH
More data for this
Ligand-Target Pair
Nicotinamide N-methyltransferase


(Homo sapiens (Human))
BDBM50607539
PNG
(CHEMBL5218573)
Show SMILES CNc1cc(C)c(cn1)C(N)=O
PDB

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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01166
BindingDB Entry DOI: 10.7270/Q2H41WHH
More data for this
Ligand-Target Pair
Nicotinamide N-methyltransferase


(Homo sapiens (Human))
BDBM50607548
PNG
(CHEMBL5219109)
Show SMILES CNc1cc(Cl)c(cn1)C(N)=O
PDB

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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01166
BindingDB Entry DOI: 10.7270/Q2H41WHH
More data for this
Ligand-Target Pair
Nicotinamide N-methyltransferase


(Homo sapiens (Human))
BDBM50607556
PNG
(CHEMBL5220292)
Show SMILES NC(=O)c1cnc2NCCCc2c1
PDB

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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01166
BindingDB Entry DOI: 10.7270/Q2H41WHH
More data for this
Ligand-Target Pair
Nicotinamide N-methyltransferase


(Homo sapiens (Human))
BDBM50455095
PNG
(CHEMBL4206972)
Show SMILES COc1ccc(cn1)C(N)=O
Show InChI InChI=1S/C7H8N2O2/c1-11-6-3-2-5(4-9-6)7(8)10/h2-4H,1H3,(H2,8,10)
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n/an/a 1.39E+3n/an/an/an/an/an/a


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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01166
BindingDB Entry DOI: 10.7270/Q2H41WHH
More data for this
Ligand-Target Pair
Nicotinamide N-methyltransferase


(Homo sapiens (Human))
BDBM50455078
PNG
(CHEMBL4218848)
Show SMILES CNc1ccc(cn1)C(N)=O
Show InChI InChI=1S/C7H9N3O/c1-9-6-3-2-5(4-10-6)7(8)11/h2-4H,1H3,(H2,8,11)(H,9,10)
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01166
BindingDB Entry DOI: 10.7270/Q2H41WHH
More data for this
Ligand-Target Pair
Nicotinamide N-methyltransferase


(Homo sapiens (Human))
BDBM225673
PNG
(GTC000445A)
Show SMILES NC(=O)c1ccc(N)nc1
Show InChI InChI=1S/C6H7N3O/c7-5-2-1-4(3-9-5)6(8)10/h1-3H,(H2,7,9)(H2,8,10)
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n/an/a 3.62E+3n/an/an/an/an/an/a


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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01166
BindingDB Entry DOI: 10.7270/Q2H41WHH
More data for this
Ligand-Target Pair
Nicotinamide N-methyltransferase


(Homo sapiens (Human))
BDBM50607564
PNG
(CHEMBL5218448)
Show SMILES C[C@@H]1Cc2cc(c[n+](C)c2N1)C(N)=O |r|
PDB

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n/an/a 6.24E+3n/an/an/an/an/an/a


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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01166
BindingDB Entry DOI: 10.7270/Q2H41WHH
More data for this
Ligand-Target Pair
Nicotinamide N-methyltransferase


(Homo sapiens (Human))
BDBM50607560
PNG
(CHEMBL5220340)
Show SMILES Cc1c2CCNc2[n+]([O-])cc1C(N)=O
PDB

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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01166
BindingDB Entry DOI: 10.7270/Q2H41WHH
More data for this
Ligand-Target Pair
Nicotinamide N-methyltransferase


(Homo sapiens (Human))
BDBM50607547
PNG
(CHEMBL5221086)
Show SMILES CCOc1cc(C)c(cn1)C(N)=O
PDB

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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01166
BindingDB Entry DOI: 10.7270/Q2H41WHH
More data for this
Ligand-Target Pair
Nicotinamide N-methyltransferase


(Homo sapiens (Human))
BDBM50607546
PNG
(CHEMBL5219744)
Show SMILES CNc1ccncc1C(N)=O
PDB

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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01166
BindingDB Entry DOI: 10.7270/Q2H41WHH
More data for this
Ligand-Target Pair
Nicotinamide N-methyltransferase


(Homo sapiens (Human))
BDBM50607563
PNG
(CHEMBL5220274)
Show SMILES C[C@@H]1Nc2ncc(cc2[C@H]1C)C(N)=O |r|
PDB

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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01166
BindingDB Entry DOI: 10.7270/Q2H41WHH
More data for this
Ligand-Target Pair
Nicotinamide N-methyltransferase


(Homo sapiens (Human))
BDBM50607561
PNG
(CHEMBL5220577)
Show SMILES C[C@H]1Cc2cc(cnc2N1)C(N)=O |r|
PDB

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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01166
BindingDB Entry DOI: 10.7270/Q2H41WHH
More data for this
Ligand-Target Pair
Nicotinamide N-methyltransferase


(Homo sapiens (Human))
BDBM50607559
PNG
(CHEMBL5220598)
Show SMILES NC(=O)c1cnc2[nH]ccc2c1Cl
PDB

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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01166
BindingDB Entry DOI: 10.7270/Q2H41WHH
More data for this
Ligand-Target Pair
Nicotinamide N-methyltransferase


(Homo sapiens (Human))
BDBM50607558
PNG
(CHEMBL5220258)
Show SMILES NC(=O)c1cnc2[nH]ncc2c1
PDB

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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01166
BindingDB Entry DOI: 10.7270/Q2H41WHH
More data for this
Ligand-Target Pair
Nicotinamide N-methyltransferase


(Homo sapiens (Human))
BDBM50607557
PNG
(CHEMBL5219305)
Show SMILES NC(=O)c1cnc2NCCOc2c1
PDB

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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01166
BindingDB Entry DOI: 10.7270/Q2H41WHH
More data for this
Ligand-Target Pair
Nicotinamide N-methyltransferase


(Homo sapiens (Human))
BDBM50607555
PNG
(CHEMBL5220754)
Show SMILES CNc1ncc(C(N)=O)c(C)c1C
PDB

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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01166
BindingDB Entry DOI: 10.7270/Q2H41WHH
More data for this
Ligand-Target Pair
Nicotinamide N-methyltransferase


(Homo sapiens (Human))
BDBM50607554
PNG
(CHEMBL5220313)
Show SMILES CNc1cc(C)c(cn1)C(N)=S
PDB

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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01166
BindingDB Entry DOI: 10.7270/Q2H41WHH
More data for this
Ligand-Target Pair
Nicotinamide N-methyltransferase


(Homo sapiens (Human))
BDBM50607551
PNG
(CHEMBL5219475)
Show SMILES CNc1ncc(s1)C(N)=O
PDB

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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01166
BindingDB Entry DOI: 10.7270/Q2H41WHH
More data for this
Ligand-Target Pair
Nicotinamide N-methyltransferase


(Homo sapiens (Human))
BDBM50607552
PNG
(CHEMBL5220896)
Show SMILES CNc1ncc(cn1)C(N)=O
PDB

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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01166
BindingDB Entry DOI: 10.7270/Q2H41WHH
More data for this
Ligand-Target Pair
Nicotinamide N-methyltransferase


(Homo sapiens (Human))
BDBM50607553
PNG
(CHEMBL5219225)
Show SMILES CNc1ncc(C(N)=O)c(C)n1
PDB

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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01166
BindingDB Entry DOI: 10.7270/Q2H41WHH
More data for this
Ligand-Target Pair
Nicotinamide N-methyltransferase


(Homo sapiens (Human))
BDBM50607550
PNG
(CHEMBL5219887)
Show SMILES CNc1cc(c(cn1)C(N)=O)C(F)(F)F
PDB

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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01166
BindingDB Entry DOI: 10.7270/Q2H41WHH
More data for this
Ligand-Target Pair
Nicotinamide N-methyltransferase


(Homo sapiens (Human))
BDBM50607549
PNG
(CHEMBL5221131)
Show SMILES CNc1cc(OC)c(cn1)C(N)=O
PDB

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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01166
BindingDB Entry DOI: 10.7270/Q2H41WHH
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50607543
PNG
(CHEMBL5220590)
Show SMILES C[C@@H]1Cc2cc(cnc2N1)C(N)=O |r|
PDB
MMDB

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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01166
BindingDB Entry DOI: 10.7270/Q2H41WHH
More data for this
Ligand-Target Pair
Cytochrome P450 4B1


(Homo sapiens)
BDBM50607543
PNG
(CHEMBL5220590)
Show SMILES C[C@@H]1Cc2cc(cnc2N1)C(N)=O |r|
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01166
BindingDB Entry DOI: 10.7270/Q2H41WHH
More data for this
Ligand-Target Pair