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8 similar compounds to monomer 93083

Compile data set for download or QSAR
Wt: 366.4
BDBM93090
Wt: 404.4
BDBM93091
Wt: 400.4
BDBM93092
Wt: 376.3
BDBM93093
Wt: 352.4
BDBM93080
Purchase
Wt: 372.3
BDBM93085
Wt: 400.4
BDBM93086
Wt: 414.4
BDBM93087

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 93090,93091,93092,93093,93080,93085,93086,93087   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Glucose-1-phosphate thymidylyltransferase (RmlA)


(Pseudomonas aeruginosa)
BDBM93080
PNG
(Analogue of 1a, 1)
Show SMILES CCCCn1c(N)c(N(C)S(=O)(=O)c2ccccc2)c(=O)[nH]c1=O
Show InChI InChI=1S/C15H20N4O4S/c1-3-4-10-19-13(16)12(14(20)17-15(19)21)18(2)24(22,23)11-8-6-5-7-9-11/h5-9H,3-4,10,16H2,1-2H3,(H,17,20,21)
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
Purchase

MMDB
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/a 210n/an/an/an/an/an/a



University of St. Andrews



Assay Description
Inhibition assay using glucose-1-phosphate thymidylyltransferase (RmlA).


ACS Chem Biol 8: 387-96 (2013)


Article DOI: 10.1021/cb300426u
BindingDB Entry DOI: 10.7270/Q26D5RMP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glucose-1-phosphate thymidylyltransferase (RmlA)


(Pseudomonas aeruginosa)
BDBM93085
PNG
(Analogue of 1a, 15a)
Show SMILES Nc1c(NS(=O)(=O)c2ccccc2)c(=O)[nH]c(=O)n1Cc1ccccc1
Show InChI InChI=1S/C17H16N4O4S/c18-15-14(20-26(24,25)13-9-5-2-6-10-13)16(22)19-17(23)21(15)11-12-7-3-1-4-8-12/h1-10,20H,11,18H2,(H,19,22,23)
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
MMDB
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/a 1.32E+3n/an/an/an/an/an/a



University of St. Andrews



Assay Description
Inhibition assay using glucose-1-phosphate thymidylyltransferase (RmlA).


ACS Chem Biol 8: 387-96 (2013)


Article DOI: 10.1021/cb300426u
BindingDB Entry DOI: 10.7270/Q26D5RMP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glucose-1-phosphate thymidylyltransferase (RmlA)


(Pseudomonas aeruginosa)
BDBM93086
PNG
(Analogue of 1a, 8b)
Show SMILES CCN(c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C19H20N4O4S/c1-2-23(28(26,27)15-11-7-4-8-12-15)16-17(20)22(19(25)21-18(16)24)13-14-9-5-3-6-10-14/h3-12H,2,13,20H2,1H3,(H,21,24,25)
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 102n/an/an/an/an/an/a



University of St. Andrews



Assay Description
Inhibition assay using glucose-1-phosphate thymidylyltransferase (RmlA).


ACS Chem Biol 8: 387-96 (2013)


Article DOI: 10.1021/cb300426u
BindingDB Entry DOI: 10.7270/Q26D5RMP
More data for this
Ligand-Target Pair
Glucose-1-phosphate thymidylyltransferase (RmlA)


(Pseudomonas aeruginosa)
BDBM93093
PNG
(Analogue of 1a, 8t)
Show SMILES CN(c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O)S(=O)(=O)c1ccco1
Show InChI InChI=1S/C16H16N4O5S/c1-19(26(23,24)12-8-5-9-25-12)13-14(17)20(16(22)18-15(13)21)10-11-6-3-2-4-7-11/h2-9H,10,17H2,1H3,(H,18,21,22)
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 105n/an/an/an/an/an/a



University of St. Andrews



Assay Description
Inhibition assay using glucose-1-phosphate thymidylyltransferase (RmlA).


ACS Chem Biol 8: 387-96 (2013)


Article DOI: 10.1021/cb300426u
BindingDB Entry DOI: 10.7270/Q26D5RMP
More data for this
Ligand-Target Pair
Glucose-1-phosphate thymidylyltransferase (RmlA)


(Pseudomonas aeruginosa)
BDBM93090
PNG
(Analogue of 1a, 8j)
Show SMILES CCCCS(=O)(=O)N(C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
Show InChI InChI=1S/C16H22N4O4S/c1-3-4-10-25(23,24)19(2)13-14(17)20(16(22)18-15(13)21)11-12-8-6-5-7-9-12/h5-9H,3-4,10-11,17H2,1-2H3,(H,18,21,22)
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
MMDB
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/a 175n/an/an/an/an/an/a



University of St. Andrews



Assay Description
Inhibition assay using glucose-1-phosphate thymidylyltransferase (RmlA).


ACS Chem Biol 8: 387-96 (2013)


Article DOI: 10.1021/cb300426u
BindingDB Entry DOI: 10.7270/Q26D5RMP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glucose-1-phosphate thymidylyltransferase (RmlA)


(Pseudomonas aeruginosa)
BDBM93091
PNG
(Analogue of 1a, 8k)
Show SMILES CN(c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O)S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C18H17FN4O4S/c1-22(28(26,27)14-9-7-13(19)8-10-14)15-16(20)23(18(25)21-17(15)24)11-12-5-3-2-4-6-12/h2-10H,11,20H2,1H3,(H,21,24,25)
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
MMDB
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/a 205n/an/an/an/an/an/a



University of St. Andrews



Assay Description
Inhibition assay using glucose-1-phosphate thymidylyltransferase (RmlA).


ACS Chem Biol 8: 387-96 (2013)


Article DOI: 10.1021/cb300426u
BindingDB Entry DOI: 10.7270/Q26D5RMP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glucose-1-phosphate thymidylyltransferase (RmlA)


(Pseudomonas aeruginosa)
BDBM93092
PNG
(Analogue of 1a, 8p)
Show SMILES CN(c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O)S(=O)(=O)c1cccc(C)c1
Show InChI InChI=1S/C19H20N4O4S/c1-13-7-6-10-15(11-13)28(26,27)22(2)16-17(20)23(19(25)21-18(16)24)12-14-8-4-3-5-9-14/h3-11H,12,20H2,1-2H3,(H,21,24,25)
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
MMDB
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/a 387n/an/an/an/an/an/a



University of St. Andrews



Assay Description
Inhibition assay using glucose-1-phosphate thymidylyltransferase (RmlA).


ACS Chem Biol 8: 387-96 (2013)


Article DOI: 10.1021/cb300426u
BindingDB Entry DOI: 10.7270/Q26D5RMP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glucose-1-phosphate thymidylyltransferase (RmlA)


(Pseudomonas aeruginosa)
BDBM93087
PNG
(Analogue of 1a, 8c)
Show SMILES CCCN(c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C20H22N4O4S/c1-2-13-24(29(27,28)16-11-7-4-8-12-16)17-18(21)23(20(26)22-19(17)25)14-15-9-5-3-6-10-15/h3-12H,2,13-14,21H2,1H3,(H,22,25,26)
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



University of St. Andrews



Assay Description
Inhibition assay using glucose-1-phosphate thymidylyltransferase (RmlA).


ACS Chem Biol 8: 387-96 (2013)


Article DOI: 10.1021/cb300426u
BindingDB Entry DOI: 10.7270/Q26D5RMP
More data for this
Ligand-Target Pair