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Compile Data Set for Download or QSAR

Found 15 hits of affinity data for UniProtKB/TrEMBL: Q9GZZ1   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
N-alpha-acetyltransferase 50


(Homo sapiens)
BDBM50541858
PNG
(CHEMBL4645901)
Show SMILES CNC(=O)c1csc(n1)[C@@H]1C[C@@H](CN1C(=O)c1ccc(cc1)-c1nn[nH]n1)NC(=O)[C@@H]1CC(=O)N(C)C(=O)N1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of wild type human Naa50 (1852 to 2082 residues) expressed in Escherichia coli BL21(DE3) cells using MLGPEGGEGK peptide as substrate after...


ACS Med Chem Lett 11: 1175-1184 (2020)


Article DOI: 10.1021/acsmedchemlett.0c00029
More data for this
Ligand-Target Pair
N-alpha-acetyltransferase 50


(Homo sapiens)
BDBM50541855
PNG
(CHEMBL4642788)
Show SMILES CNC(=O)c1csc(n1)C1C[C@@H](CN1C(=O)c1ccc(cc1)-c1nn[nH]n1)NC(=O)[C@@H]1CC(=O)N(C)C(=O)N1
PDB

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UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 13n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of wild type human Naa50 (1852 to 2082 residues) expressed in Escherichia coli BL21(DE3) cells using MLGPEGGEGK peptide as substrate after...


ACS Med Chem Lett 11: 1175-1184 (2020)


Article DOI: 10.1021/acsmedchemlett.0c00029
More data for this
Ligand-Target Pair
N-alpha-acetyltransferase 50


(Homo sapiens)
BDBM50541864
PNG
(CHEMBL4642700)
Show SMILES CN1C(=O)C[C@H](NC1=O)C(=O)N[C@H]1C[C@H](N(C1)C(=O)c1ccc(cc1)-c1nn[nH]n1)c1nc(C)cs1
PDB

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UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 13n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of wild type human Naa50 (1852 to 2082 residues) expressed in Escherichia coli BL21(DE3) cells using MLGPEGGEGK peptide as substrate after...


ACS Med Chem Lett 11: 1175-1184 (2020)


Article DOI: 10.1021/acsmedchemlett.0c00029
More data for this
Ligand-Target Pair
N-alpha-acetyltransferase 50


(Homo sapiens)
BDBM50541860
PNG
(CHEMBL4639216)
Show SMILES CNC(=O)c1coc(n1)[C@@H]1C[C@@H](CN1C(=O)c1ccc(cc1)-c1nn[nH]n1)NC(=O)[C@@H]1CC(=O)N(C)C(=O)N1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 14n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of wild type human Naa50 (1852 to 2082 residues) expressed in Escherichia coli BL21(DE3) cells using MLGPEGGEGK peptide as substrate after...


ACS Med Chem Lett 11: 1175-1184 (2020)


Article DOI: 10.1021/acsmedchemlett.0c00029
More data for this
Ligand-Target Pair
N-alpha-acetyltransferase 50


(Homo sapiens)
BDBM50541852
PNG
(CHEMBL4642911)
Show SMILES CSCC[C@H](NC(=O)CSCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N1CCC[C@H]1C(N)=O
Show InChI InChI=1S/C41H69N12O21P3S2/c1-22(2)15-24(37(60)46-16-29(56)52-12-6-7-25(52)35(43)59)51-38(61)23(9-13-78-5)50-28(55)18-79-14-11-44-27(54)8-10-45-39(62)33(58)41(3,4)19-71-77(68,69)74-76(66,67)70-17-26-32(73-75(63,64)65)31(57)40(72-26)53-21-49-30-34(42)47-20-48-36(30)53/h20-26,31-33,40,57-58H,6-19H2,1-5H3,(H2,43,59)(H,44,54)(H,45,62)(H,46,60)(H,50,55)(H,51,61)(H,66,67)(H,68,69)(H2,42,47,48)(H2,63,64,65)/t23-,24-,25-,26+,31+,32+,33-,40+/m0/s1
PDB

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UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 30n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of wild type human Naa50 (1852 to 2082 residues) expressed in Escherichia coli BL21(DE3) cells using MLGPEGGEGK peptide as substrate after...


ACS Med Chem Lett 11: 1175-1184 (2020)


Article DOI: 10.1021/acsmedchemlett.0c00029
More data for this
Ligand-Target Pair
N-alpha-acetyltransferase 50


(Homo sapiens)
BDBM50541862
PNG
(CHEMBL4644527)
Show SMILES CNC(=O)c1csc(n1)[C@@H]1C[C@@H](CN1Cc1ccc(cc1)-c1nn[nH]n1)NC(=O)[C@@H]1CC(=O)N(C)C(=O)N1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 88n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of wild type human Naa50 (1852 to 2082 residues) expressed in Escherichia coli BL21(DE3) cells using MLGPEGGEGK peptide as substrate after...


ACS Med Chem Lett 11: 1175-1184 (2020)


Article DOI: 10.1021/acsmedchemlett.0c00029
More data for this
Ligand-Target Pair
N-alpha-acetyltransferase 50


(Homo sapiens)
BDBM50541869
PNG
(CHEMBL4636177)
Show SMILES CN1C(=O)C[C@H](NC1=O)C(=O)N[C@H]1C[C@H](N(C1)C(=O)c1ccc(cc1)C(O)=O)c1nc(C)cs1
Show InChI InChI=1S/C22H23N5O6S/c1-11-10-34-19(23-11)16-7-14(24-18(29)15-8-17(28)26(2)22(33)25-15)9-27(16)20(30)12-3-5-13(6-4-12)21(31)32/h3-6,10,14-16H,7-9H2,1-2H3,(H,24,29)(H,25,33)(H,31,32)/t14-,15-,16-/m0/s1
PDB

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UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 170n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of wild type human Naa50 (1852 to 2082 residues) expressed in Escherichia coli BL21(DE3) cells using MLGPEGGEGK peptide as substrate after...


ACS Med Chem Lett 11: 1175-1184 (2020)


Article DOI: 10.1021/acsmedchemlett.0c00029
More data for this
Ligand-Target Pair
N-alpha-acetyltransferase 50


(Homo sapiens)
BDBM50541863
PNG
(CHEMBL4648534)
Show SMILES CNC(=O)c1csc(n1)[C@@H]1C[C@@H](CN1C(=O)c1cccc(c1)-c1nn[nH]n1)NC(=O)[C@@H]1CC(=O)N(C)C(=O)N1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 430n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of wild type human Naa50 (1852 to 2082 residues) expressed in Escherichia coli BL21(DE3) cells using MLGPEGGEGK peptide as substrate after...


ACS Med Chem Lett 11: 1175-1184 (2020)


Article DOI: 10.1021/acsmedchemlett.0c00029
More data for this
Ligand-Target Pair
N-alpha-acetyltransferase 50


(Homo sapiens)
BDBM50367033
PNG
(COENZYME_A)
Show SMILES CC(C)(CO[P@@](O)(=O)O[P@](O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCS
Show InChI InChI=1S/C21H36N7O16P3S/c1-21(2,16(31)19(32)24-4-3-12(29)23-5-6-48)8-41-47(38,39)44-46(36,37)40-7-11-15(43-45(33,34)35)14(30)20(42-11)28-10-27-13-17(22)25-9-26-18(13)28/h9-11,14-16,20,30-31,48H,3-8H2,1-2H3,(H,23,29)(H,24,32)(H,36,37)(H,38,39)(H2,22,25,26)(H2,33,34,35)/t11-,14-,15-,16+,20-/m1/s1
PDB

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UniProtKB/SwissProt

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CHEBI
KEGG
MMDB
PC cid
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PDB
UniChem

Similars

PDB
Article
PubMed
n/an/an/a 156n/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to full length human N-terminal His-tagged/GST-tagged Naa50 expressed in Escherichia coli BL21(DE3) cells in by SPR analysis


ACS Med Chem Lett 11: 1175-1184 (2020)


Article DOI: 10.1021/acsmedchemlett.0c00029
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
N-alpha-acetyltransferase 50


(Homo sapiens)
BDBM50541858
PNG
(CHEMBL4645901)
Show SMILES CNC(=O)c1csc(n1)[C@@H]1C[C@@H](CN1C(=O)c1ccc(cc1)-c1nn[nH]n1)NC(=O)[C@@H]1CC(=O)N(C)C(=O)N1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 27n/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to full length human N-terminal His-tagged/GST-tagged Naa50 expressed in Escherichia coli BL21(DE3) cells in presence of acetyl CoA ...


ACS Med Chem Lett 11: 1175-1184 (2020)


Article DOI: 10.1021/acsmedchemlett.0c00029
More data for this
Ligand-Target Pair
N-alpha-acetyltransferase 50


(Homo sapiens)
BDBM50541859
PNG
(CHEMBL4645967)
Show SMILES CNC(=O)c1csc(n1)[C@H]1C[C@@H](CN1C(=O)c1ccc(cc1)-c1nn[nH]n1)NC(=O)[C@@H]1CC(=O)N(C)C(=O)N1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 470n/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to full length human N-terminal His-tagged/GST-tagged Naa50 expressed in Escherichia coli BL21(DE3) cells in presence of acetyl CoA ...


ACS Med Chem Lett 11: 1175-1184 (2020)


Article DOI: 10.1021/acsmedchemlett.0c00029
More data for this
Ligand-Target Pair
N-alpha-acetyltransferase 50


(Homo sapiens)
BDBM50541858
PNG
(CHEMBL4645901)
Show SMILES CNC(=O)c1csc(n1)[C@@H]1C[C@@H](CN1C(=O)c1ccc(cc1)-c1nn[nH]n1)NC(=O)[C@@H]1CC(=O)N(C)C(=O)N1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 32n/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to full length human N-terminal His-tagged/GST-tagged Naa50 expressed in Escherichia coli BL21(DE3) cells in presence of CoA by SPR ...


ACS Med Chem Lett 11: 1175-1184 (2020)


Article DOI: 10.1021/acsmedchemlett.0c00029
More data for this
Ligand-Target Pair
N-alpha-acetyltransferase 50


(Homo sapiens)
BDBM50541859
PNG
(CHEMBL4645967)
Show SMILES CNC(=O)c1csc(n1)[C@H]1C[C@@H](CN1C(=O)c1ccc(cc1)-c1nn[nH]n1)NC(=O)[C@@H]1CC(=O)N(C)C(=O)N1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 471n/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to full length human N-terminal His-tagged/GST-tagged Naa50 expressed in Escherichia coli BL21(DE3) cells in presence of CoA by SPR ...


ACS Med Chem Lett 11: 1175-1184 (2020)


Article DOI: 10.1021/acsmedchemlett.0c00029
More data for this
Ligand-Target Pair
N-alpha-acetyltransferase 50


(Homo sapiens)
BDBM50541858
PNG
(CHEMBL4645901)
Show SMILES CNC(=O)c1csc(n1)[C@@H]1C[C@@H](CN1C(=O)c1ccc(cc1)-c1nn[nH]n1)NC(=O)[C@@H]1CC(=O)N(C)C(=O)N1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 105n/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to full length human N-terminal His-tagged/GST-tagged Naa50 expressed in Escherichia coli BL21(DE3) cells in by SPR analysis


ACS Med Chem Lett 11: 1175-1184 (2020)


Article DOI: 10.1021/acsmedchemlett.0c00029
More data for this
Ligand-Target Pair
N-alpha-acetyltransferase 50


(Homo sapiens)
BDBM50541870
PNG
(CHEBI:15351 | CHEMBL1230809)
Show SMILES CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)CO[P@@](O)(=O)O[P@](O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C23H38N7O17P3S/c1-12(31)51-7-6-25-14(32)4-5-26-21(35)18(34)23(2,3)9-44-50(41,42)47-49(39,40)43-8-13-17(46-48(36,37)38)16(33)22(45-13)30-11-29-15-19(24)27-10-28-20(15)30/h10-11,13,16-18,22,33-34H,4-9H2,1-3H3,(H,25,32)(H,26,35)(H,39,40)(H,41,42)(H2,24,27,28)(H2,36,37,38)/t13-,16-,17-,18+,22-/m1/s1
PDB

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UniProtKB/SwissProt

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PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/an/a 18n/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to full length human N-terminal His-tagged/GST-tagged Naa50 expressed in Escherichia coli BL21(DE3) cells in by SPR analysis


ACS Med Chem Lett 11: 1175-1184 (2020)


Article DOI: 10.1021/acsmedchemlett.0c00029
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)