BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 46 hits with Last Name = 'otyepka' and Initial = 'm'   
Target/Host
(Institution)
LigandTarget/Host
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
Serine racemase


(Mus musculus)
BDBM50038343
PNG
(CHEMBL3360546)
Show SMILES [Na+].[Na+].[O-]C(=O)C(Cl)(Cl)C([O-])=O
Show InChI InChI=1S/C3H2Cl2O4.2Na/c4-3(5,1(6)7)2(8)9;;/h(H,6,7)(H,8,9);;/q;2*+1/p-2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.90E+4n/an/an/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibition of mouse serine racemase by Lineweaver-Burk plot


Eur J Med Chem 89: 189-97 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.043
BindingDB Entry DOI: 10.7270/Q22N53WK
More data for this
Ligand-Target Pair
Serine racemase


(Mus musculus)
BDBM14673
PNG
(Fragment 3 | Malonic Acid | propanedioic acid)
Show SMILES OC(=O)CC(O)=O
Show InChI InChI=1S/C3H4O4/c4-2(5)1-3(6)7/h1H2,(H,4,5)(H,6,7)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
2.70E+4n/an/an/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibition of mouse serine racemase by Lineweaver-Burk plot


Eur J Med Chem 89: 189-97 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.043
BindingDB Entry DOI: 10.7270/Q22N53WK
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B


(Marthasterias glacialis (starfish))
BDBM10642
PNG
(2-[({2-[(1-hydroxy-3-methylbutan-2-yl)amino]-9-(pr...)
Show SMILES CC(C)C(CO)Nc1nc(NCc2ccccc2O)c2ncn(C(C)C)c2n1
Show InChI InChI=1S/C20H28N6O2/c1-12(2)15(10-27)23-20-24-18(21-9-14-7-5-6-8-16(14)28)17-19(25-20)26(11-22-17)13(3)4/h5-8,11-13,15,27-28H,9-10H2,1-4H3,(H2,21,23,24,25)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 10n/an/an/an/a7.430



Palacky University



Assay Description
Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/[gamma-32P] ATP. 32P...


J Med Chem 43: 2506-13 (2000)


Article DOI: 10.1021/jm990506w
BindingDB Entry DOI: 10.7270/Q2CZ35D8
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50132192
PNG
(CHEMBL102871 | N*2*-(4-Amino-cyclohexyl)-N*6*-(3-c...)
Show SMILES CC(C)n1cnc2c(Nc3cccc(Cl)c3)nc(NC3CCC(N)CC3)nc12 |(1.38,-4.56,;2.41,-3.41,;3.9,-3.73,;1.92,-1.94,;2.85,-.68,;1.92,.56,;.45,.09,;-.88,.86,;-.89,2.4,;.45,3.15,;1.77,2.4,;3.11,3.17,;3.11,4.71,;1.77,5.48,;1.76,7.02,;.43,4.68,;-2.21,.07,;-2.21,-1.47,;-3.56,-2.24,;-4.88,-1.47,;-4.88,.09,;-6.2,.86,;-7.55,.09,;-8.88,.86,;-7.55,-1.45,;-6.22,-2.22,;-.88,-2.24,;.45,-1.47,)|
Show InChI InChI=1S/C20H26ClN7/c1-12(2)28-11-23-17-18(24-16-5-3-4-13(21)10-16)26-20(27-19(17)28)25-15-8-6-14(22)7-9-15/h3-5,10-12,14-15H,6-9,22H2,1-2H3,(H2,24,25,26,27)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 30n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibitory concentration against Cyclin dependent kinase 1.


Bioorg Med Chem Lett 13: 2993-6 (2003)


BindingDB Entry DOI: 10.7270/Q270820N
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))
BDBM10635
PNG
(3-[({2-[(1-hydroxy-3-methylbutan-2-yl)amino]-9-(pr...)
Show SMILES CC(C)C(CO)Nc1nc(NCc2cccc(O)c2)c2ncn(C(C)C)c2n1
Show InChI InChI=1S/C20H28N6O2/c1-12(2)16(10-27)23-20-24-18(21-9-14-6-5-7-15(28)8-14)17-19(25-20)26(11-22-17)13(3)4/h5-8,11-13,16,27-28H,9-10H2,1-4H3,(H2,21,23,24,25)
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 30n/an/an/an/a7.430



Palacky University



Assay Description
Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/[gamma-32P] ATP. 32P...


J Med Chem 43: 2506-13 (2000)


Article DOI: 10.1021/jm990506w
BindingDB Entry DOI: 10.7270/Q2CZ35D8
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM27216
PNG
((2R)-2-({6-[(3-chlorophenyl)amino]-9-(propan-2-yl)...)
Show SMILES CC(C)[C@H](CO)Nc1nc(Nc2cccc(Cl)c2)c2ncn(C(C)C)c2n1
Show InChI InChI=1S/C19H25ClN6O/c1-11(2)15(9-27)23-19-24-17(22-14-7-5-6-13(20)8-14)16-18(25-19)26(10-21-16)12(3)4/h5-8,10-12,15,27H,9H2,1-4H3,(H2,22,23,24,25)/t15-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PubMed
n/an/a 50n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibitory concentration against Cyclin dependent kinase 1.


Bioorg Med Chem Lett 13: 2993-6 (2003)


BindingDB Entry DOI: 10.7270/Q270820N
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B


(Marthasterias glacialis (starfish))
BDBM10635
PNG
(3-[({2-[(1-hydroxy-3-methylbutan-2-yl)amino]-9-(pr...)
Show SMILES CC(C)C(CO)Nc1nc(NCc2cccc(O)c2)c2ncn(C(C)C)c2n1
Show InChI InChI=1S/C20H28N6O2/c1-12(2)16(10-27)23-20-24-18(21-9-14-6-5-7-15(28)8-14)17-19(25-20)26(11-22-17)13(3)4/h5-8,11-13,16,27-28H,9-10H2,1-4H3,(H2,21,23,24,25)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 100n/an/an/an/a7.430



Palacky University



Assay Description
Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/[gamma-32P] ATP. 32P...


J Med Chem 43: 2506-13 (2000)


Article DOI: 10.1021/jm990506w
BindingDB Entry DOI: 10.7270/Q2CZ35D8
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))
BDBM10634
PNG
((2R)-1-{[6-(benzylamino)-9-(propan-2-yl)-9H-purin-...)
Show SMILES C[C@@H](O)CNc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1
Show InChI InChI=1S/C18H24N6O/c1-12(2)24-11-21-15-16(19-10-14-7-5-4-6-8-14)22-18(23-17(15)24)20-9-13(3)25/h4-8,11-13,25H,9-10H2,1-3H3,(H2,19,20,22,23)/t13-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 200n/an/an/an/a7.430



Palacky University



Assay Description
Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/[gamma-32P] ATP. 32P...


J Med Chem 43: 2506-13 (2000)


Article DOI: 10.1021/jm990506w
BindingDB Entry DOI: 10.7270/Q2CZ35D8
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM7533
PNG
((2R)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]am...)
Show SMILES CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 |r|
Show InChI InChI=1S/C19H26N6O/c1-4-15(11-26)22-19-23-17(20-10-14-8-6-5-7-9-14)16-18(24-19)25(12-21-16)13(2)3/h5-9,12-13,15,26H,4,10-11H2,1-3H3,(H2,20,22,23,24)/t15-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PubMed
n/an/a 450n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibitory concentration against Cyclin dependent kinase 1.


Bioorg Med Chem Lett 13: 2993-6 (2003)


BindingDB Entry DOI: 10.7270/Q270820N
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))
BDBM10633
PNG
(3-{[6-(benzylamino)-9-(propan-2-yl)-9H-purin-2-yl]...)
Show SMILES CC(C)n1cnc2c(NCc3ccccc3)nc(NCCCO)nc12
Show InChI InChI=1S/C18H24N6O/c1-13(2)24-12-21-15-16(20-11-14-7-4-3-5-8-14)22-18(23-17(15)24)19-9-6-10-25/h3-5,7-8,12-13,25H,6,9-11H2,1-2H3,(H2,19,20,22,23)
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 800n/an/an/an/a7.430



Palacky University



Assay Description
Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/[gamma-32P] ATP. 32P...


J Med Chem 43: 2506-13 (2000)


Article DOI: 10.1021/jm990506w
BindingDB Entry DOI: 10.7270/Q2CZ35D8
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))
BDBM10638
PNG
(3-{[6-(cyclopentylamino)-9-(propan-2-yl)-9H-purin-...)
Show SMILES CC(C)n1cnc2c(NC3CCCC3)nc(NCCCO)nc12
Show InChI InChI=1S/C16H26N6O/c1-11(2)22-10-18-13-14(19-12-6-3-4-7-12)20-16(21-15(13)22)17-8-5-9-23/h10-12,23H,3-9H2,1-2H3,(H2,17,19,20,21)
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 900n/an/an/an/a7.430



Palacky University



Assay Description
Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/[gamma-32P] ATP. 32P...


J Med Chem 43: 2506-13 (2000)


Article DOI: 10.1021/jm990506w
BindingDB Entry DOI: 10.7270/Q2CZ35D8
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B


(Marthasterias glacialis (starfish))
BDBM10634
PNG
((2R)-1-{[6-(benzylamino)-9-(propan-2-yl)-9H-purin-...)
Show SMILES C[C@@H](O)CNc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1
Show InChI InChI=1S/C18H24N6O/c1-12(2)24-11-21-15-16(19-10-14-7-5-4-6-8-14)22-18(23-17(15)24)20-9-13(3)25/h4-8,11-13,25H,9-10H2,1-3H3,(H2,19,20,22,23)/t13-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.10E+3n/an/an/an/a7.430



Palacky University



Assay Description
Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/[gamma-32P] ATP. 32P...


J Med Chem 43: 2506-13 (2000)


Article DOI: 10.1021/jm990506w
BindingDB Entry DOI: 10.7270/Q2CZ35D8
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))
BDBM5718
PNG
(2,6,9-Trisubstituted purine deriv. 26 | 2-{[6-(ben...)
Show SMILES Cn1cnc2c(NCc3ccccc3)nc(NCCO)nc12
Show InChI InChI=1S/C15H18N6O/c1-21-10-18-12-13(17-9-11-5-3-2-4-6-11)19-15(16-7-8-22)20-14(12)21/h2-6,10,22H,7-9H2,1H3,(H2,16,17,19,20)
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
n/an/a 1.20E+3n/an/an/an/a7.430



Palacky University



Assay Description
Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/[gamma-32P] ATP. 32P...


J Med Chem 43: 2506-13 (2000)


Article DOI: 10.1021/jm990506w
BindingDB Entry DOI: 10.7270/Q2CZ35D8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))
BDBM10639
PNG
(3-[(6-amino-9-isopropyl-9H-purin-2-yl)amino]propan...)
Show SMILES CC(C)n1cnc2c(N)nc(NCCCO)nc12
Show InChI InChI=1S/C11H18N6O/c1-7(2)17-6-14-8-9(12)15-11(16-10(8)17)13-4-3-5-18/h6-7,18H,3-5H2,1-2H3,(H3,12,13,15,16)
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.40E+3n/an/an/an/a7.430



Palacky University



Assay Description
Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/[gamma-32P] ATP. 32P...


J Med Chem 43: 2506-13 (2000)


Article DOI: 10.1021/jm990506w
BindingDB Entry DOI: 10.7270/Q2CZ35D8
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B


(Marthasterias glacialis (starfish))
BDBM10638
PNG
(3-{[6-(cyclopentylamino)-9-(propan-2-yl)-9H-purin-...)
Show SMILES CC(C)n1cnc2c(NC3CCCC3)nc(NCCCO)nc12
Show InChI InChI=1S/C16H26N6O/c1-11(2)22-10-18-13-14(19-12-6-3-4-7-12)20-16(21-15(13)22)17-8-5-9-23/h10-12,23H,3-9H2,1-2H3,(H2,17,19,20,21)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.40E+3n/an/an/an/a7.430



Palacky University



Assay Description
Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/[gamma-32P] ATP. 32P...


J Med Chem 43: 2506-13 (2000)


Article DOI: 10.1021/jm990506w
BindingDB Entry DOI: 10.7270/Q2CZ35D8
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B


(Marthasterias glacialis (starfish))
BDBM10633
PNG
(3-{[6-(benzylamino)-9-(propan-2-yl)-9H-purin-2-yl]...)
Show SMILES CC(C)n1cnc2c(NCc3ccccc3)nc(NCCCO)nc12
Show InChI InChI=1S/C18H24N6O/c1-13(2)24-12-21-15-16(20-11-14-7-4-3-5-8-14)22-18(23-17(15)24)19-9-6-10-25/h3-5,7-8,12-13,25H,6,9-11H2,1-2H3,(H2,19,20,22,23)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 2.50E+3n/an/an/an/a7.430



Palacky University



Assay Description
Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/[gamma-32P] ATP. 32P...


J Med Chem 43: 2506-13 (2000)


Article DOI: 10.1021/jm990506w
BindingDB Entry DOI: 10.7270/Q2CZ35D8
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B


(Marthasterias glacialis (starfish))
BDBM10641
PNG
(6-(benzylamino)-9-isopropylpurine | CHEMBL85015 | ...)
Show SMILES CC(C)n1cnc2c(NCc3ccccc3)ncnc12
Show InChI InChI=1S/C15H17N5/c1-11(2)20-10-19-13-14(17-9-18-15(13)20)16-8-12-6-4-3-5-7-12/h3-7,9-11H,8H2,1-2H3,(H,16,17,18)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 3.50E+3n/an/an/an/a7.430



Palacky University



Assay Description
Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/[gamma-32P] ATP. 32P...


J Med Chem 43: 2506-13 (2000)


Article DOI: 10.1021/jm990506w
BindingDB Entry DOI: 10.7270/Q2CZ35D8
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))
BDBM10641
PNG
(6-(benzylamino)-9-isopropylpurine | CHEMBL85015 | ...)
Show SMILES CC(C)n1cnc2c(NCc3ccccc3)ncnc12
Show InChI InChI=1S/C15H17N5/c1-11(2)20-10-19-13-14(17-9-18-15(13)20)16-8-12-6-4-3-5-7-12/h3-7,9-11H,8H2,1-2H3,(H,16,17,18)
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 4.50E+3n/an/an/an/a7.430



Palacky University



Assay Description
Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/[gamma-32P] ATP. 32P...


J Med Chem 43: 2506-13 (2000)


Article DOI: 10.1021/jm990506w
BindingDB Entry DOI: 10.7270/Q2CZ35D8
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B


(Marthasterias glacialis (starfish))
BDBM5718
PNG
(2,6,9-Trisubstituted purine deriv. 26 | 2-{[6-(ben...)
Show SMILES Cn1cnc2c(NCc3ccccc3)nc(NCCO)nc12
Show InChI InChI=1S/C15H18N6O/c1-21-10-18-12-13(17-9-11-5-3-2-4-6-11)19-15(16-7-8-22)20-14(12)21/h2-6,10,22H,7-9H2,1H3,(H2,16,17,19,20)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 4.60E+3n/an/an/an/a7.430



Palacky University



Assay Description
Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/[gamma-32P] ATP. 32P...


J Med Chem 43: 2506-13 (2000)


Article DOI: 10.1021/jm990506w
BindingDB Entry DOI: 10.7270/Q2CZ35D8
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50132199
PNG
(3-{[8-Chloro-2-(1-hydroxymethyl-propylamino)-9-iso...)
Show SMILES CCC(CO)Nc1nc(NCc2cccc(O)c2)c2nc(Cl)n(C(C)C)c2n1
Show InChI InChI=1S/C19H25ClN6O2/c1-4-13(10-27)22-19-24-16(21-9-12-6-5-7-14(28)8-12)15-17(25-19)26(11(2)3)18(20)23-15/h5-8,11,13,27-28H,4,9-10H2,1-3H3,(H2,21,22,24,25)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 6.00E+3n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibitory concentration against Cyclin dependent kinase 1.


Bioorg Med Chem Lett 13: 2993-6 (2003)


BindingDB Entry DOI: 10.7270/Q270820N
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50132196
PNG
(2-(6-Benzylamino-9-isopropyl-8-methyl-9H-purin-2-y...)
Show SMILES CCC(CO)Nc1nc(NCc2ccccc2)c2nc(C)n(C(C)C)c2n1
Show InChI InChI=1S/C20H28N6O/c1-5-16(12-27)23-20-24-18(21-11-15-9-7-6-8-10-15)17-19(25-20)26(13(2)3)14(4)22-17/h6-10,13,16,27H,5,11-12H2,1-4H3,(H2,21,23,24,25)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibitory concentration against Cyclin dependent kinase 1.


Bioorg Med Chem Lett 13: 2993-6 (2003)


BindingDB Entry DOI: 10.7270/Q270820N
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))
BDBM10636
PNG
(2-{[6-(benzylamino)-9-(propan-2-yl)-9H-purin-2-yl]...)
Show SMILES CC(C)n1cnc2c(NCc3ccccc3)nc(NCCO)nc12
Show InChI InChI=1S/C17H22N6O/c1-12(2)23-11-20-14-15(19-10-13-6-4-3-5-7-13)21-17(18-8-9-24)22-16(14)23/h3-7,11-12,24H,8-10H2,1-2H3,(H2,18,19,21,22)
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 8.00E+3n/an/an/an/a7.430



Palacky University



Assay Description
Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/[gamma-32P] ATP. 32P...


J Med Chem 43: 2506-13 (2000)


Article DOI: 10.1021/jm990506w
BindingDB Entry DOI: 10.7270/Q2CZ35D8
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B


(Marthasterias glacialis (starfish))
BDBM10636
PNG
(2-{[6-(benzylamino)-9-(propan-2-yl)-9H-purin-2-yl]...)
Show SMILES CC(C)n1cnc2c(NCc3ccccc3)nc(NCCO)nc12
Show InChI InChI=1S/C17H22N6O/c1-12(2)23-11-20-14-15(19-10-13-6-4-3-5-7-13)21-17(18-8-9-24)22-16(14)23/h3-7,11-12,24H,8-10H2,1-2H3,(H2,18,19,21,22)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 9.40E+3n/an/an/an/a7.430



Palacky University



Assay Description
Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/[gamma-32P] ATP. 32P...


J Med Chem 43: 2506-13 (2000)


Article DOI: 10.1021/jm990506w
BindingDB Entry DOI: 10.7270/Q2CZ35D8
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B


(Marthasterias glacialis (starfish))
BDBM10639
PNG
(3-[(6-amino-9-isopropyl-9H-purin-2-yl)amino]propan...)
Show SMILES CC(C)n1cnc2c(N)nc(NCCCO)nc12
Show InChI InChI=1S/C11H18N6O/c1-7(2)17-6-14-8-9(12)15-11(16-10(8)17)13-4-3-5-18/h6-7,18H,3-5H2,1-2H3,(H3,12,13,15,16)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.00E+4n/an/an/an/a7.430



Palacky University



Assay Description
Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/[gamma-32P] ATP. 32P...


J Med Chem 43: 2506-13 (2000)


Article DOI: 10.1021/jm990506w
BindingDB Entry DOI: 10.7270/Q2CZ35D8
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50132197
PNG
(2-(6-Benzylamino-9-isopropyl-8-mercapto-9H-purin-2...)
Show SMILES CCC(CO)Nc1nc(NCc2ccccc2)c2[nH]c(=S)n(C(C)C)c2n1
Show InChI InChI=1S/C19H26N6OS/c1-4-14(11-26)21-18-23-16(20-10-13-8-6-5-7-9-13)15-17(24-18)25(12(2)3)19(27)22-15/h5-9,12,14,26H,4,10-11H2,1-3H3,(H,22,27)(H2,20,21,23,24)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibitory concentration against Cyclin dependent kinase 1.


Bioorg Med Chem Lett 13: 2993-6 (2003)


BindingDB Entry DOI: 10.7270/Q270820N
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50132193
PNG
(2-[8-Chloro-6-(3-chloro-phenylamino)-9-isopropyl-9...)
Show SMILES CC(C)C(CO)Nc1nc(Nc2cccc(Cl)c2)c2nc(Cl)n(C(C)C)c2n1
Show InChI InChI=1S/C19H24Cl2N6O/c1-10(2)14(9-28)23-19-25-16(22-13-7-5-6-12(20)8-13)15-17(26-19)27(11(3)4)18(21)24-15/h5-8,10-11,14,28H,9H2,1-4H3,(H2,22,23,25,26)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibitory concentration against Cyclin dependent kinase 1.


Bioorg Med Chem Lett 13: 2993-6 (2003)


BindingDB Entry DOI: 10.7270/Q270820N
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50132198
PNG
(CHEMBL103567 | N*2*-(4-Amino-cyclohexyl)-N*6*-(3-c...)
Show SMILES CC(C)n1c(C)nc2c(Nc3cccc(Cl)c3)nc(NC3CCC(N)CC3)nc12 |(3.9,-3.73,;2.41,-3.41,;1.38,-4.56,;1.92,-1.94,;2.85,-.68,;4.39,-.68,;1.92,.56,;.45,.09,;-.88,.86,;-.89,2.4,;.45,3.15,;1.77,2.4,;3.11,3.17,;3.11,4.71,;1.77,5.48,;1.76,7.02,;.43,4.68,;-2.21,.07,;-2.21,-1.47,;-3.56,-2.24,;-4.88,-1.47,;-6.22,-2.22,;-7.55,-1.45,;-7.55,.09,;-8.88,.86,;-6.2,.86,;-4.88,.09,;-.88,-2.24,;.45,-1.47,)|
Show InChI InChI=1S/C21H28ClN7/c1-12(2)29-13(3)24-18-19(25-17-6-4-5-14(22)11-17)27-21(28-20(18)29)26-16-9-7-15(23)8-10-16/h4-6,11-12,15-16H,7-10,23H2,1-3H3,(H2,25,26,27,28)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 1.40E+4n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibitory concentration against Cyclin dependent kinase 1.


Bioorg Med Chem Lett 13: 2993-6 (2003)


BindingDB Entry DOI: 10.7270/Q270820N
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50132189
PNG
(2-(6-Benzylamino-9-isopropyl-8-nitro-9H-purin-2-yl...)
Show SMILES CCC(CO)Nc1nc(NCc2ccccc2)c2nc(n(C(C)C)c2n1)[N+]([O-])=O
Show InChI InChI=1S/C19H25N7O3/c1-4-14(11-27)21-18-23-16(20-10-13-8-6-5-7-9-13)15-17(24-18)25(12(2)3)19(22-15)26(28)29/h5-9,12,14,27H,4,10-11H2,1-3H3,(H2,20,21,23,24)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibitory concentration against Cyclin dependent kinase 1.


Bioorg Med Chem Lett 13: 2993-6 (2003)


BindingDB Entry DOI: 10.7270/Q270820N
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50132190
PNG
(2-(6-Benzylamino-8-chloro-9-isopropyl-9H-purin-2-y...)
Show SMILES CCC(CO)Nc1nc(NCc2ccccc2)c2nc(Cl)n(C(C)C)c2n1
Show InChI InChI=1S/C19H25ClN6O/c1-4-14(11-27)22-19-24-16(21-10-13-8-6-5-7-9-13)15-17(25-19)26(12(2)3)18(20)23-15/h5-9,12,14,27H,4,10-11H2,1-3H3,(H2,21,22,24,25)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

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



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibitory concentration against Cyclin dependent kinase 1.


Bioorg Med Chem Lett 13: 2993-6 (2003)


BindingDB Entry DOI: 10.7270/Q270820N
More data for this
Ligand-Target Pair
Serine racemase


(Mus musculus)
BDBM50038343
PNG
(CHEMBL3360546)
Show SMILES [Na+].[Na+].[O-]C(=O)C(Cl)(Cl)C([O-])=O
Show InChI InChI=1S/C3H2Cl2O4.2Na/c4-3(5,1(6)7)2(8)9;;/h(H,6,7)(H,8,9);;/q;2*+1/p-2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.70E+4n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibition of mouse serine racemase using L-serine substrate by reversed-phase HPLC analysis


Eur J Med Chem 89: 189-97 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.043
BindingDB Entry DOI: 10.7270/Q22N53WK
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50132195
PNG
(6-Benzylamino-2-(1-hydroxymethyl-propylamino)-9-is...)
Show SMILES CCC(CO)Nc1nc(NCc2ccccc2)c2[nH]c(=O)n(C(C)C)c2n1
Show InChI InChI=1S/C19H26N6O2/c1-4-14(11-26)21-18-23-16(20-10-13-8-6-5-7-9-13)15-17(24-18)25(12(2)3)19(27)22-15/h5-9,12,14,26H,4,10-11H2,1-3H3,(H,22,27)(H2,20,21,23,24)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 6.50E+4n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibitory concentration against Cyclin dependent kinase 1.


Bioorg Med Chem Lett 13: 2993-6 (2003)


BindingDB Entry DOI: 10.7270/Q270820N
More data for this
Ligand-Target Pair
Serine racemase


(Mus musculus)
BDBM14673
PNG
(Fragment 3 | Malonic Acid | propanedioic acid)
Show SMILES OC(=O)CC(O)=O
Show InChI InChI=1S/C3H4O4/c4-2(5)1-3(6)7/h1H2,(H,4,5)(H,6,7)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 6.70E+4n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibition of mouse serine racemase using L-serine substrate by reversed-phase HPLC analysis


Eur J Med Chem 89: 189-97 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.043
BindingDB Entry DOI: 10.7270/Q22N53WK
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50132188
PNG
(2-(8-Amino-6-benzylamino-9-isopropyl-9H-purin-2-yl...)
Show SMILES CCC(CO)Nc1nc(NCc2ccccc2)c2nc(N)n(C(C)C)c2n1
Show InChI InChI=1S/C19H27N7O/c1-4-14(11-27)22-19-24-16(21-10-13-8-6-5-7-9-13)15-17(25-19)26(12(2)3)18(20)23-15/h5-9,12,14,27H,4,10-11H2,1-3H3,(H2,20,23)(H2,21,22,24,25)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 7.00E+4n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibitory concentration against Cyclin dependent kinase 1.


Bioorg Med Chem Lett 13: 2993-6 (2003)


BindingDB Entry DOI: 10.7270/Q270820N
More data for this
Ligand-Target Pair
Serine racemase


(Mus musculus)
BDBM50038354
PNG
(CHEBI:16513 | CHEMBL1794676)
Show SMILES OC(C(O)=O)C(O)=O
Show InChI InChI=1S/C3H4O5/c4-1(2(5)6)3(7)8/h1,4H,(H,5,6)(H,7,8)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 9.40E+4n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibition of mouse serine racemase using L-serine substrate by reversed-phase HPLC analysis


Eur J Med Chem 89: 189-97 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.043
BindingDB Entry DOI: 10.7270/Q22N53WK
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50132200
PNG
(2-(6-Benzylamino-9-isopropyl-8-propoxy-9H-purin-2-...)
Show SMILES CCCOc1nc2c(NCc3ccccc3)nc(NC(CC)CO)nc2n1C(C)C
Show InChI InChI=1S/C22H32N6O2/c1-5-12-30-22-25-18-19(23-13-16-10-8-7-9-11-16)26-21(24-17(6-2)14-29)27-20(18)28(22)15(3)4/h7-11,15,17,29H,5-6,12-14H2,1-4H3,(H2,23,24,26,27)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibitory concentration against Cyclin dependent kinase 1.


Bioorg Med Chem Lett 13: 2993-6 (2003)


BindingDB Entry DOI: 10.7270/Q270820N
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50132194
PNG
(2-[6-Benzylamino-8-(3-hydroxy-propylamino)-9-isopr...)
Show SMILES CCC(CO)Nc1nc(NCc2ccccc2)c2nc(NCCCO)n(C(C)C)c2n1
Show InChI InChI=1S/C22H33N7O2/c1-4-17(14-31)25-21-27-19(24-13-16-9-6-5-7-10-16)18-20(28-21)29(15(2)3)22(26-18)23-11-8-12-30/h5-7,9-10,15,17,30-31H,4,8,11-14H2,1-3H3,(H,23,26)(H2,24,25,27,28)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibitory concentration against Cyclin dependent kinase 1.


Bioorg Med Chem Lett 13: 2993-6 (2003)


BindingDB Entry DOI: 10.7270/Q270820N
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B


(Marthasterias glacialis (starfish))
BDBM10640
PNG
(3-{[6-(1-adamantylamino)-9-isopropyl-9H-purin-2-yl...)
Show SMILES CC(C)n1cnc2c(NC34CC5CC(CC(C5)C3)C4)nc(NCCCO)nc12 |TLB:18:9:16:13.12.14,THB:14:15:10:13.12.18,14:13:10:15.17.16,18:13:9.10.17:16|
Show InChI InChI=1S/C21H32N6O/c1-13(2)27-12-23-17-18(24-20(25-19(17)27)22-4-3-5-28)26-21-9-14-6-15(10-21)8-16(7-14)11-21/h12-16,28H,3-11H2,1-2H3,(H2,22,24,25,26)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/a7.430



Palacky University



Assay Description
Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/[gamma-32P] ATP. 32P...


J Med Chem 43: 2506-13 (2000)


Article DOI: 10.1021/jm990506w
BindingDB Entry DOI: 10.7270/Q2CZ35D8
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))
BDBM10640
PNG
(3-{[6-(1-adamantylamino)-9-isopropyl-9H-purin-2-yl...)
Show SMILES CC(C)n1cnc2c(NC34CC5CC(CC(C5)C3)C4)nc(NCCCO)nc12 |TLB:18:9:16:13.12.14,THB:14:15:10:13.12.18,14:13:10:15.17.16,18:13:9.10.17:16|
Show InChI InChI=1S/C21H32N6O/c1-13(2)27-12-23-17-18(24-20(25-19(17)27)22-4-3-5-28)26-21-9-14-6-15(10-21)8-16(7-14)11-21/h12-16,28H,3-11H2,1-2H3,(H2,22,24,25,26)
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/a7.430



Palacky University



Assay Description
Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/[gamma-32P] ATP. 32P...


J Med Chem 43: 2506-13 (2000)


Article DOI: 10.1021/jm990506w
BindingDB Entry DOI: 10.7270/Q2CZ35D8
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50132191
PNG
(2-(6-Benzylamino-8-bromo-9-isopropyl-9H-purin-2-yl...)
Show SMILES CCC(CO)Nc1nc(NCc2ccccc2)c2nc(Br)n(C(C)C)c2n1
Show InChI InChI=1S/C19H25BrN6O/c1-4-14(11-27)22-19-24-16(21-10-13-8-6-5-7-9-13)15-17(25-19)26(12(2)3)18(20)23-15/h5-9,12,14,27H,4,10-11H2,1-3H3,(H2,21,22,24,25)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibitory concentration against Cyclin dependent kinase 1.


Bioorg Med Chem Lett 13: 2993-6 (2003)


BindingDB Entry DOI: 10.7270/Q270820N
More data for this
Ligand-Target Pair
Serine racemase


(Mus musculus)
BDBM92990
PNG
(Aminomalonate)
Show SMILES NC(C([O-])=O)C([O-])=O
Show InChI InChI=1S/C3H5NO4/c4-1(2(5)6)3(7)8/h1H,4H2,(H,5,6)(H,7,8)/p-2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

MCE
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.00E+5n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibition of mouse serine racemase using L-serine substrate by reversed-phase HPLC analysis


Eur J Med Chem 89: 189-97 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.043
BindingDB Entry DOI: 10.7270/Q22N53WK
More data for this
Ligand-Target Pair
Serine racemase


(Mus musculus)
BDBM50038342
PNG
(CHEMBL3360547)
Show SMILES [Na+].[Na+].[O-]C(=O)C(Cl)C([O-])=O
Show InChI InChI=1S/C3H3ClO4.2Na/c4-1(2(5)6)3(7)8;;/h1H,(H,5,6)(H,7,8);;/q;2*+1/p-2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7.80E+5n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibition of mouse serine racemase using L-serine substrate by reversed-phase HPLC analysis


Eur J Med Chem 89: 189-97 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.043
BindingDB Entry DOI: 10.7270/Q22N53WK
More data for this
Ligand-Target Pair
Serine racemase


(Mus musculus)
BDBM50038341
PNG
(CHEBI:30860 | METHYLMALONIC ACID)
Show SMILES CC(C(O)=O)C(O)=O
Show InChI InChI=1S/C4H6O4/c1-2(3(5)6)4(7)8/h2H,1H3,(H,5,6)(H,7,8)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

DrugBank
MCE
KEGG
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a 1.85E+6n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibition of mouse serine racemase using L-serine substrate by reversed-phase HPLC analysis


Eur J Med Chem 89: 189-97 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.043
BindingDB Entry DOI: 10.7270/Q22N53WK
More data for this
Ligand-Target Pair
Serine racemase


(Mus musculus)
BDBM50038340
PNG
(CHEMBL3360548)
Show SMILES [Na+].[Na+].[O-]C(=O)C(F)(F)C([O-])=O
Show InChI InChI=1S/C3H2F2O4.2Na/c4-3(5,1(6)7)2(8)9;;/h(H,6,7)(H,8,9);;/q;2*+1/p-2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.16E+6n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibition of mouse serine racemase using L-serine substrate by reversed-phase HPLC analysis


Eur J Med Chem 89: 189-97 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.043
BindingDB Entry DOI: 10.7270/Q22N53WK
More data for this
Ligand-Target Pair
Serine racemase


(Mus musculus)
BDBM50038339
PNG
(CHEMBL3360549)
Show SMILES CC(C)(C(O)=O)C(O)=O
Show InChI InChI=1S/C5H8O4/c1-5(2,3(6)7)4(8)9/h1-2H3,(H,6,7)(H,8,9)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
KEGG
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a 5.63E+6n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibition of mouse serine racemase using L-serine substrate by reversed-phase HPLC analysis


Eur J Med Chem 89: 189-97 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.043
BindingDB Entry DOI: 10.7270/Q22N53WK
More data for this
Ligand-Target Pair
Serine racemase


(Mus musculus)
BDBM50038338
PNG
(CHEMBL3360550)
Show SMILES OC(=O)C(C(O)=O)c1ccsc1
Show InChI InChI=1S/C7H6O4S/c8-6(9)5(7(10)11)4-1-2-12-3-4/h1-3,5H,(H,8,9)(H,10,11)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7.03E+6n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibition of mouse serine racemase using L-serine substrate by reversed-phase HPLC analysis


Eur J Med Chem 89: 189-97 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.043
BindingDB Entry DOI: 10.7270/Q22N53WK
More data for this
Ligand-Target Pair
Serine racemase


(Mus musculus)
BDBM50038355
PNG
(CHEMBL3360551)
Show SMILES [Na+].[Na+].OCC(CO)(C([O-])=O)C([O-])=O
Show InChI InChI=1S/C5H8O6.2Na/c6-1-5(2-7,3(8)9)4(10)11;;/h6-7H,1-2H2,(H,8,9)(H,10,11);;/q;2*+1/p-2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.06E+7n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibition of mouse serine racemase using L-serine substrate by reversed-phase HPLC analysis


Eur J Med Chem 89: 189-97 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.043
BindingDB Entry DOI: 10.7270/Q22N53WK
More data for this
Ligand-Target Pair