BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 15 hits Enz. Inhib. hit(s) with Target = 'Nicotinate-nucleotide adenylyltransferase'   
Target
(Institution)
LigandTarget
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
Nicotinate-nucleotide adenylyltransferase


(Bacillus anthracis)
BDBM50318660
PNG
((E)-4-(2-(anthracen-9-ylmethylene)hydrazinyl)-N-(3...)
Show SMILES Brc1cccc(NC(=O)CCC(=O)N\N=C\c2c3ccccc3cc3ccccc23)c1
Show InChI InChI=1S/C25H20BrN3O2/c26-19-8-5-9-20(15-19)28-24(30)12-13-25(31)29-27-16-23-21-10-3-1-6-17(21)14-18-7-2-4-11-22(18)23/h1-11,14-16H,12-13H2,(H,28,30)(H,29,31)/b27-16+
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 4.00E+3n/an/an/an/an/an/a



University of Texas Southwestern Medical Center

Curated by ChEMBL


Assay Description
Inhibition of Bacillus anthracis nicotinate-nucleotide adenylyltransferase preincubated for 5 mins before addition of substrate by malachite green re...


J Med Chem 53: 5229-39 (2010)

More data for this
Ligand-Target Pair
Nicotinate-nucleotide adenylyltransferase


(Bacillus anthracis)
BDBM50318661
PNG
(CHEMBL1084867 | N-(2-Chloro-phenyl)-3-(4-{[3-(2-ch...)
Show SMILES Clc1ccccc1NC(=O)CCC(=O)NN=Cc1ccc(C=NNC(=O)CCC(=O)Nc2ccccc2Cl)cc1
Show InChI InChI=1S/C28H26Cl2N6O4/c29-21-5-1-3-7-23(21)33-25(37)13-15-27(39)35-31-17-19-9-11-20(12-10-19)18-32-36-28(40)16-14-26(38)34-24-8-4-2-6-22(24)30/h1-12,17-18H,13-16H2,(H,33,37)(H,34,38)(H,35,39)(H,36,40)
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 1.30E+4n/an/an/an/an/an/a



University of Texas Southwestern Medical Center

Curated by ChEMBL


Assay Description
Inhibition of Bacillus anthracis nicotinate-nucleotide adenylyltransferase preincubated for 5 mins before addition of substrate by malachite green re...


J Med Chem 53: 5229-39 (2010)

More data for this
Ligand-Target Pair
Nicotinate-nucleotide adenylyltransferase


(Bacillus anthracis)
BDBM50318661
PNG
(CHEMBL1084867 | N-(2-Chloro-phenyl)-3-(4-{[3-(2-ch...)
Show SMILES Clc1ccccc1NC(=O)CCC(=O)NN=Cc1ccc(C=NNC(=O)CCC(=O)Nc2ccccc2Cl)cc1
Show InChI InChI=1S/C28H26Cl2N6O4/c29-21-5-1-3-7-23(21)33-25(37)13-15-27(39)35-31-17-19-9-11-20(12-10-19)18-32-36-28(40)16-14-26(38)34-24-8-4-2-6-22(24)30/h1-12,17-18H,13-16H2,(H,33,37)(H,34,38)(H,35,39)(H,36,40)
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 1.60E+4n/an/an/an/an/an/a



University of Texas Southwestern Medical Center

Curated by ChEMBL


Assay Description
Inhibition of Bacillus anthracis nicotinate-nucleotide adenylyltransferase preincubated for 5 mins before addition of substrate by malachite green re...


J Med Chem 53: 5229-39 (2010)

More data for this
Ligand-Target Pair
Nicotinate-nucleotide adenylyltransferase


(Bacillus anthracis)
BDBM50318659
PNG
((E)-4-(2-(anthracen-9-ylmethylene)hydrazinyl)-N-(2...)
Show SMILES Brc1ccccc1NC(=O)CCC(=O)N\N=C\c1c2ccccc2cc2ccccc12
Show InChI InChI=1S/C25H20BrN3O2/c26-22-11-5-6-12-23(22)28-24(30)13-14-25(31)29-27-16-21-19-9-3-1-7-17(19)15-18-8-2-4-10-20(18)21/h1-12,15-16H,13-14H2,(H,28,30)(H,29,31)/b27-16+
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 2.50E+4n/an/an/an/an/an/a



University of Texas Southwestern Medical Center

Curated by ChEMBL


Assay Description
Inhibition of Bacillus anthracis nicotinate-nucleotide adenylyltransferase preincubated for 5 mins before addition of substrate by malachite green re...


J Med Chem 53: 5229-39 (2010)

More data for this
Ligand-Target Pair
Nicotinate-nucleotide adenylyltransferase


(Bacillus anthracis)
BDBM50318652
PNG
((E)-4-(2-(anthracen-9-ylmethylene)hydrazinyl)-N-(3...)
Show SMILES Clc1cccc(NC(=O)CCC(=O)N\N=C\c2c3ccccc3cc3ccccc23)c1
Show InChI InChI=1S/C25H20ClN3O2/c26-19-8-5-9-20(15-19)28-24(30)12-13-25(31)29-27-16-23-21-10-3-1-6-17(21)14-18-7-2-4-11-22(18)23/h1-11,14-16H,12-13H2,(H,28,30)(H,29,31)/b27-16+
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

AffyNet 
PDB
Article
PubMed
n/an/a 2.50E+4n/an/an/an/an/an/a



University of Texas Southwestern Medical Center

Curated by ChEMBL


Assay Description
Inhibition of Bacillus anthracis nicotinate-nucleotide adenylyltransferase preincubated for 5 mins before addition of substrate by malachite green re...


J Med Chem 53: 5229-39 (2010)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nicotinate-nucleotide adenylyltransferase


(Bacillus anthracis)
BDBM50318657
PNG
((E)-2-(3,5-dibromo-4-methylphenylamino)-N'-(1-(2,4...)
Show SMILES COc1ccc(C(C)=NNC(=O)CNc2cc(Br)c(C)c(Br)c2)c(OC)c1
Show InChI InChI=1S/C19H21Br2N3O3/c1-11-16(20)7-13(8-17(11)21)22-10-19(25)24-23-12(2)15-6-5-14(26-3)9-18(15)27-4/h5-9,22H,10H2,1-4H3,(H,24,25)
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
AffyNet 
Article
PubMed
n/an/a 3.00E+4n/an/an/an/an/an/a



University of Texas Southwestern Medical Center

Curated by ChEMBL


Assay Description
Inhibition of Bacillus anthracis nicotinate-nucleotide adenylyltransferase preincubated for 5 mins before addition of substrate by malachite green re...


J Med Chem 53: 5229-39 (2010)

More data for this
Ligand-Target Pair
Nicotinate-nucleotide adenylyltransferase


(Bacillus anthracis)
BDBM50318658
PNG
((E)-4-(2-(anthracen-9-ylmethylene)hydrazinyl)-N-(4...)
Show SMILES Brc1ccc(NC(=O)CCC(=O)N\N=C\c2c3ccccc3cc3ccccc23)cc1
Show InChI InChI=1S/C25H20BrN3O2/c26-19-9-11-20(12-10-19)28-24(30)13-14-25(31)29-27-16-23-21-7-3-1-5-17(21)15-18-6-2-4-8-22(18)23/h1-12,15-16H,13-14H2,(H,28,30)(H,29,31)/b27-16+
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 3.30E+4n/an/an/an/an/an/a



University of Texas Southwestern Medical Center

Curated by ChEMBL


Assay Description
Inhibition of Bacillus anthracis nicotinate-nucleotide adenylyltransferase preincubated for 5 mins before addition of substrate by malachite green re...


J Med Chem 53: 5229-39 (2010)

More data for this
Ligand-Target Pair
Nicotinate-nucleotide adenylyltransferase


(Bacillus anthracis)
BDBM50318656
PNG
((E)-N-(4-bromophenyl)-4-(2-(4-fluorobenzylidene)hy...)
Show SMILES Fc1ccc(\C=N\NC(=O)CCC(=O)Nc2ccc(Br)cc2)cc1
Show InChI InChI=1S/C17H15BrFN3O2/c18-13-3-7-15(8-4-13)21-16(23)9-10-17(24)22-20-11-12-1-5-14(19)6-2-12/h1-8,11H,9-10H2,(H,21,23)(H,22,24)/b20-11+
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 1.22E+5n/an/an/an/an/an/a



University of Texas Southwestern Medical Center

Curated by ChEMBL


Assay Description
Inhibition of Bacillus anthracis nicotinate-nucleotide adenylyltransferase preincubated for 5 mins before addition of substrate by malachite green re...


J Med Chem 53: 5229-39 (2010)

More data for this
Ligand-Target Pair
Nicotinate-nucleotide adenylyltransferase


(Bacillus anthracis)
BDBM50318655
PNG
((E)-4-(2-(3-bromobenzylidene)hydrazinyl)-N-(4-brom...)
Show SMILES Brc1ccc(NC(=O)CCC(=O)N\N=C\c2cccc(Br)c2)cc1
Show InChI InChI=1S/C17H15Br2N3O2/c18-13-4-6-15(7-5-13)21-16(23)8-9-17(24)22-20-11-12-2-1-3-14(19)10-12/h1-7,10-11H,8-9H2,(H,21,23)(H,22,24)/b20-11+
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 1.70E+5n/an/an/an/an/an/a



University of Texas Southwestern Medical Center

Curated by ChEMBL


Assay Description
Inhibition of Bacillus anthracis nicotinate-nucleotide adenylyltransferase preincubated for 5 mins before addition of substrate by malachite green re...


J Med Chem 53: 5229-39 (2010)

More data for this
Ligand-Target Pair
Nicotinate-nucleotide adenylyltransferase


(Bacillus anthracis)
BDBM50318662
PNG
(CHEMBL1084868 | [(2E)-1-{4-[(2-chlorophenyl)amino]...)
Show SMILES OC(=O)CN(\N=C\c1cccc2ccccc12)C(=O)CCC(=O)Nc1ccccc1Cl
Show InChI InChI=1S/C23H20ClN3O4/c24-19-10-3-4-11-20(19)26-21(28)12-13-22(29)27(15-23(30)31)25-14-17-8-5-7-16-6-1-2-9-18(16)17/h1-11,14H,12-13,15H2,(H,26,28)(H,30,31)/b25-14+
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem
AffyNet 
PDB
Article
PubMed
n/an/a>2.00E+5n/an/an/an/an/an/a



University of Texas Southwestern Medical Center

Curated by ChEMBL


Assay Description
Inhibition of Bacillus anthracis nicotinate-nucleotide adenylyltransferase preincubated for 5 mins before addition of substrate by malachite green re...


J Med Chem 53: 5229-39 (2010)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nicotinate-nucleotide adenylyltransferase


(Bacillus anthracis)
BDBM50318654
PNG
((E)-N-(4-bromophenyl)-4-(2-(2-(naphthalen-2-yl)pro...)
Show SMILES CC(C=NNC(=O)CCC(=O)Nc1ccc(Br)cc1)c1ccc2ccccc2c1
Show InChI InChI=1S/C23H22BrN3O2/c1-16(18-7-6-17-4-2-3-5-19(17)14-18)15-25-27-23(29)13-12-22(28)26-21-10-8-20(24)9-11-21/h2-11,14-16H,12-13H2,1H3,(H,26,28)(H,27,29)
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
AffyNet 
Article
PubMed
n/an/a>2.00E+5n/an/an/an/an/an/a



University of Texas Southwestern Medical Center

Curated by ChEMBL


Assay Description
Inhibition of Bacillus anthracis nicotinate-nucleotide adenylyltransferase preincubated for 5 mins before addition of substrate by malachite green re...


J Med Chem 53: 5229-39 (2010)

More data for this
Ligand-Target Pair
Nicotinate-nucleotide adenylyltransferase


(Bacillus anthracis)
BDBM50318652
PNG
((E)-4-(2-(anthracen-9-ylmethylene)hydrazinyl)-N-(3...)
Show SMILES Clc1cccc(NC(=O)CCC(=O)N\N=C\c2c3ccccc3cc3ccccc23)c1
Show InChI InChI=1S/C25H20ClN3O2/c26-19-8-5-9-20(15-19)28-24(30)12-13-25(31)29-27-16-23-21-10-3-1-6-17(21)14-18-7-2-4-11-22(18)23/h1-11,14-16H,12-13H2,(H,28,30)(H,29,31)/b27-16+
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

AffyNet 
PDB
Article
PubMed
9.00E+3n/an/an/an/an/an/an/an/a



University of Texas Southwestern Medical Center

Curated by ChEMBL


Assay Description
Inhibition of Bacillus anthracis nicotinate-nucleotide adenylyltransferase preincubated for 5 mins before addition of NaMN substrate by malachite gre...


J Med Chem 53: 5229-39 (2010)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nicotinate-nucleotide adenylyltransferase


(Bacillus anthracis)
BDBM50318652
PNG
((E)-4-(2-(anthracen-9-ylmethylene)hydrazinyl)-N-(3...)
Show SMILES Clc1cccc(NC(=O)CCC(=O)N\N=C\c2c3ccccc3cc3ccccc23)c1
Show InChI InChI=1S/C25H20ClN3O2/c26-19-8-5-9-20(15-19)28-24(30)12-13-25(31)29-27-16-23-21-10-3-1-6-17(21)14-18-7-2-4-11-22(18)23/h1-11,14-16H,12-13H2,(H,28,30)(H,29,31)/b27-16+
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

AffyNet 
PDB
Article
PubMed
1.00E+4n/an/an/an/an/an/an/an/a



University of Texas Southwestern Medical Center

Curated by ChEMBL


Assay Description
Inhibition of Bacillus anthracis nicotinate-nucleotide adenylyltransferase preincubated for 5 mins before addition of ATP substrate by malachite gree...


J Med Chem 53: 5229-39 (2010)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nicotinate-nucleotide adenylyltransferase


(Bacillus anthracis)
BDBM50318653
PNG
(3-amino-N-(3-fluorophenyl)-6-(thiophen-2-yl)thieno...)
Show SMILES Nc1c(sc2nc(ccc12)-c1cccs1)C(=O)Nc1cccc(F)c1
Show InChI InChI=1S/C18H12FN3OS2/c19-10-3-1-4-11(9-10)21-17(23)16-15(20)12-6-7-13(22-18(12)25-16)14-5-2-8-24-14/h1-9H,20H2,(H,21,23)
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Similars

AffyNet 
MMDB
PDB
Article
PubMed
1.80E+4n/an/an/an/an/an/an/an/a



University of Texas Southwestern Medical Center

Curated by ChEMBL


Assay Description
Inhibition of Bacillus anthracis nicotinate-nucleotide adenylyltransferase preincubated for 5 mins before addition of NaMN substrate by malachite gre...


J Med Chem 53: 5229-39 (2010)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nicotinate-nucleotide adenylyltransferase


(Bacillus anthracis)
BDBM50318653
PNG
(3-amino-N-(3-fluorophenyl)-6-(thiophen-2-yl)thieno...)
Show SMILES Nc1c(sc2nc(ccc12)-c1cccs1)C(=O)Nc1cccc(F)c1
Show InChI InChI=1S/C18H12FN3OS2/c19-10-3-1-4-11(9-10)21-17(23)16-15(20)12-6-7-13(22-18(12)25-16)14-5-2-8-24-14/h1-9H,20H2,(H,21,23)
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Similars

AffyNet 
MMDB
PDB
Article
PubMed
3.20E+4n/an/an/an/an/an/an/an/a



University of Texas Southwestern Medical Center

Curated by ChEMBL


Assay Description
Inhibition of Bacillus anthracis nicotinate-nucleotide adenylyltransferase preincubated for 5 mins before addition of ATP substrate by malachite gree...


J Med Chem 53: 5229-39 (2010)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)