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There are 4 purchasable compounds for target: Acetyl-CoA carboxylase subunit A

Wt: 395.0
BDBM3436
Wt: 191.2
BDBM32643
Wt: 334.2
BDBM32647
Wt: 203.2
BDBM32651

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 3436,32643,32647,32651   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Biotin Carboxylase


(Escherichia coli (strain K12))
BDBM32643
PNG
(amino pyrimidine ketone, 3)
Show SMILES CC1(C)CC(=O)c2c(N)ncnc2C1
Show InChI InChI=1S/C10H13N3O/c1-10(2)3-6-8(7(14)4-10)9(11)13-5-12-6/h5H,3-4H2,1-2H3,(H2,11,12,13)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
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Purchase

DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
AffyNet 
DrugBank
MMDB
PDB
Article
PubMed
n/an/a 6.08E+4n/an/an/an/a8.023



Pfizer



Assay Description
Assays were performed in 384-well clear bottom plates (Corning; catalog no. 3702), that contained inhibitor solvated in DMSO. To each well of the pla...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Biotin Carboxylase


(Escherichia coli (strain K12))
BDBM32651
PNG
(dihydro-2H-purin-6-amine, 5)
Show SMILES CC(C)=CCn1cnc(N)c2ncnc12
Show InChI InChI=1S/C10H13N5/c1-7(2)3-4-15-6-14-9(11)8-10(15)13-5-12-8/h3,5-6H,4,11H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

DrugBank
KEGG
PC cid
PC sid
PDB
UniChem

Patents


Similars

AffyNet 
DrugBank
PDB
Article
PubMed
n/an/a 1.50E+6n/an/an/an/a8.023



Pfizer



Assay Description
Assays were performed in 384-well clear bottom plates (Corning; catalog no. 3702), that contained inhibitor solvated in DMSO. To each well of the pla...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Biotin Carboxylase


(Escherichia coli (strain K12))
BDBM3436
PNG
(6-(2,6-Dibromo-phenyl)-pyrido[2,3-d]pyrimidine-2,7...)
Show SMILES Nc1ncc2cc(c(N)nc2n1)-c1c(Br)cccc1Br
Show InChI InChI=1S/C13H9Br2N5/c14-8-2-1-3-9(15)10(8)7-4-6-5-18-13(17)20-12(6)19-11(7)16/h1-5H,(H4,16,17,18,19,20)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

AffyNet 
DrugBank
MMDB
PDB
Article
PubMed
n/an/a<1n/an/an/an/a8.023



Pfizer



Assay Description
Assays were performed in 384-well clear bottom plates (Corning; catalog no. 3702), that contained inhibitor solvated in DMSO. To each well of the pla...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Biotin Carboxylase


(Escherichia coli (strain K12))
BDBM32647
PNG
(amino pyrimidine, 6b)
Show SMILES Cc1nc(cn1Cc1c(Cl)cccc1Cl)-c1ccnc(N)n1
Show InChI InChI=1S/C15H13Cl2N5/c1-9-20-14(13-5-6-19-15(18)21-13)8-22(9)7-10-11(16)3-2-4-12(10)17/h2-6,8H,7H2,1H3,(H2,18,19,21)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
AffyNet 
DrugBank
PDB
Article
PubMed
n/an/a 334n/an/an/an/a8.023



Pfizer



Assay Description
Assays were performed in 384-well clear bottom plates (Corning; catalog no. 3702), that contained inhibitor solvated in DMSO. To each well of the pla...


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