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Compile Data Set for Download or QSAR

Found 7 hits of ki data for polymerid = 50006541,7112   
Target/Host
(Institution)
LigandTarget/Host
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
AMP deaminase 1


(Oryctolagus cuniculus)
BDBM50004699
PNG
(CHEBI:45262 | CHEMBL96862)
Show SMILES O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)n1cnc2cncnc12
Show InChI InChI=1S/C10H13N4O7P/c15-7-6(2-20-22(17,18)19)21-10(8(7)16)14-4-13-5-1-11-3-12-9(5)14/h1,3-4,6-8,10,15-16H,2H2,(H2,17,18,19)/t6-,7-,8-,10-/m1/s1
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
PDB
UniChem

Similars

PubMed
6.50E+3n/an/an/an/an/an/an/an/a



AgrEvo UK Limited

Curated by ChEMBL


Assay Description
Inhibition of Oryctolagus cuniculus (rabbit) muscle adenylate deaminase


Citation and Details
More data for this
Ligand-Target Pair
AMP deaminase 1 (hAMPD1)


(Homo sapiens (Human))
BDBM50087313
PNG
(8-(8-Hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]dia...)
Show SMILES OC1CNC=Nc2c1ncn2CCCCCCCC(O)=O
Show InChI InChI=1S/C14H22N4O3/c19-11-8-15-9-16-14-13(11)17-10-18(14)7-5-3-1-2-4-6-12(20)21/h9-11,19H,1-8H2,(H,15,16)(H,20,21)
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
8.00E+3n/an/an/an/an/an/an/an/a



Metabasis Therapeutics Inc.

Curated by ChEMBL


Assay Description
Evaluated for the inhibition of porcine heart or human L-type Adenosine 5'-monophosphate deaminase (AMPDA)


Citation and Details
More data for this
Ligand-Target Pair
AMP deaminase 1 (hAMPD1)


(Homo sapiens (Human))
BDBM50087307
PNG
(3-Heptyl-3,6,7,8-tetrahydro-imidazo[4,5-d][1,3]dia...)
Show SMILES CCCCCCCn1cnc2C(O)CNC=Nc12
Show InChI InChI=1S/C13H22N4O/c1-2-3-4-5-6-7-17-10-16-12-11(18)8-14-9-15-13(12)17/h9-11,18H,2-8H2,1H3,(H,14,15)
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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



Metabasis Therapeutics Inc.

Curated by ChEMBL


Assay Description
Evaluated for the inhibition of porcine heart or human L-type Adenosine 5'-monophosphate deaminase (AMPDA)


Citation and Details
More data for this
Ligand-Target Pair
AMP deaminase 1 (hAMPD1)


(Homo sapiens (Human))
BDBM50087317
PNG
(3-Octyl-3,6,7,8-tetrahydro-imidazo[4,5-d][1,3]diaz...)
Show SMILES CCCCCCCCn1cnc2C(O)CNC=Nc12
Show InChI InChI=1S/C14H24N4O/c1-2-3-4-5-6-7-8-18-11-17-13-12(19)9-15-10-16-14(13)18/h10-12,19H,2-9H2,1H3,(H,15,16)
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
1.80E+4n/an/an/an/an/an/an/an/a



Metabasis Therapeutics Inc.

Curated by ChEMBL


Assay Description
Evaluated for the inhibition of porcine heart or human L-type Adenosine 5'-monophosphate deaminase (AMPDA)


Citation and Details
More data for this
Ligand-Target Pair
AMP deaminase 1 (hAMPD1)


(Homo sapiens (Human))
BDBM50087311
PNG
(8-(8-Hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]dia...)
Show SMILES COC(=O)CCCCCCCn1cnc2C(O)CNC=Nc12
Show InChI InChI=1S/C15H24N4O3/c1-22-13(21)7-5-3-2-4-6-8-19-11-18-14-12(20)9-16-10-17-15(14)19/h10-12,20H,2-9H2,1H3,(H,16,17)
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
2.00E+4n/an/an/an/an/an/an/an/a



Metabasis Therapeutics Inc.

Curated by ChEMBL


Assay Description
Evaluated for the inhibition of porcine heart or human L-type Adenosine 5'-monophosphate deaminase (AMPDA)


Citation and Details
More data for this
Ligand-Target Pair
AMP deaminase 1 (hAMPD1)


(Homo sapiens (Human))
BDBM50087301
PNG
(CHEMBL290418 | Sodium; 4-(8-hydroxy-7,8-dihydro-6H...)
Show SMILES OC1CNC=Nc2c1ncn2COCCCC([O-])=O
Show InChI InChI=1S/C11H16N4O4/c16-8-4-12-5-13-11-10(8)14-6-15(11)7-19-3-1-2-9(17)18/h5-6,8,16H,1-4,7H2,(H,12,13)(H,17,18)/p-1
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
8.50E+4n/an/an/an/an/an/an/an/a



Metabasis Therapeutics Inc.

Curated by ChEMBL


Assay Description
Evaluated for the inhibition of porcine heart or human L-type Adenosine 5'-monophosphate deaminase (AMPDA)


Citation and Details
More data for this
Ligand-Target Pair
AMP deaminase 1 (hAMPD1)


(Homo sapiens (Human))
BDBM50087303
PNG
(7-(8-Hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]dia...)
Show SMILES OC1CNC=Nc2c1ncn2CCCCCCC#N
Show InChI InChI=1S/C13H19N5O/c14-6-4-2-1-3-5-7-18-10-17-12-11(19)8-15-9-16-13(12)18/h9-11,19H,1-5,7-8H2,(H,15,16)
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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



Metabasis Therapeutics Inc.

Curated by ChEMBL


Assay Description
Evaluated for the inhibition of porcine heart or human L-type Adenosine 5'-monophosphate deaminase (AMPDA)


Citation and Details
More data for this
Ligand-Target Pair