new BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 101 hits with Last Name = 'comess' and Initial = 'km'   
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
Polycomb protein EED (EED)


(Homo sapiens (Human))
BDBM223987
PNG
(A-395 (5) | rac-(3R,4S)-1-(7-fluoro-2,3-dihydro-1H...)
Show SMILES CN(C)[C@H]1CN(C[C@@H]1c1ccc(cc1)N1CCN(CC1)S(C)(=O)=O)C1CCc2cccc(F)c12 |r,w:24.26|
Show InChI InChI=1/C26H35FN4O2S/c1-28(2)25-18-30(24-12-9-20-5-4-6-23(27)26(20)24)17-22(25)19-7-10-21(11-8-19)29-13-15-31(16-14-29)34(3,32)33/h4-8,10-11,22,24-25H,9,12-18H2,1-3H3/t22-,24?,25+/s2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
0.400 -53.6n/an/an/an/an/a7.525



AbbVie Inc.



Assay Description
For the assay, compounds were dispensed in assay-ready plates using a three-fold serial dilution from 50 μM to ~850 pM using an Echo 550 Acousti...


Nat Chem Biol 13: 389-395 (2017)


Article DOI: 10.1038/nchembio.2306
BindingDB Entry DOI: 10.7270/Q2NG4PGD
More data for this
Ligand-Target Pair
Polycomb protein EED (EED)


(Homo sapiens (Human))
BDBM223987
PNG
(A-395 (5) | rac-(3R,4S)-1-(7-fluoro-2,3-dihydro-1H...)
Show SMILES CN(C)[C@H]1CN(C[C@@H]1c1ccc(cc1)N1CCN(CC1)S(C)(=O)=O)C1CCc2cccc(F)c12 |r,w:24.26|
Show InChI InChI=1/C26H35FN4O2S/c1-28(2)25-18-30(24-12-9-20-5-4-6-23(27)26(20)24)17-22(25)19-7-10-21(11-8-19)29-13-15-31(16-14-29)34(3,32)33/h4-8,10-11,22,24-25H,9,12-18H2,1-3H3/t22-,24?,25+/s2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
0.5 -53.1n/an/an/an/an/a7.525



AbbVie Inc.



Assay Description
For the assay, compounds were dispensed in assay-ready plates using a three-fold serial dilution from 50 μM to ~850 pM using an Echo 550 Acousti...


Nat Chem Biol 13: 389-395 (2017)


Article DOI: 10.1038/nchembio.2306
BindingDB Entry DOI: 10.7270/Q2NG4PGD
More data for this
Ligand-Target Pair
Polycomb protein EED (EED)


(Homo sapiens (Human))
BDBM223986
PNG
((3R,4S)-1-[(1S)-7-fluoroindan-1-yl]-N,N-dimethyl-4...)
Show SMILES CN(C)[C@H]1CN(C[C@@H]1c1cn(C)c2ccccc12)[C@H]1CCc2cccc(F)c12 |r|
Show InChI InChI=1/C24H28FN3/c1-26(2)23-15-28(22-12-11-16-7-6-9-20(25)24(16)22)14-19(23)18-13-27(3)21-10-5-4-8-17(18)21/h4-10,13,19,22-23H,11-12,14-15H2,1-3H3/t19-,22+,23+/s2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
1 -51.4n/an/an/an/an/a7.525



AbbVie Inc.



Assay Description
For the assay, compounds were dispensed in assay-ready plates using a three-fold serial dilution from 50 μM to ~850 pM using an Echo 550 Acousti...


Nat Chem Biol 13: 389-395 (2017)


Article DOI: 10.1038/nchembio.2306
BindingDB Entry DOI: 10.7270/Q2NG4PGD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Polycomb protein EED (EED)


(Homo sapiens (Human))
BDBM223985
PNG
(rac-(3R,4S)-1-(2-fluoro-6-methylbenzyl)-N,N-dimeth...)
Show SMILES CN(C)[C@H]1CN(Cc2c(C)cccc2F)C[C@@H]1c1cn(C)c2ccccc12 |r|
Show InChI InChI=1/C23H28FN3/c1-16-8-7-10-21(24)18(16)13-27-14-20(23(15-27)25(2)3)19-12-26(4)22-11-6-5-9-17(19)22/h5-12,20,23H,13-15H2,1-4H3/t20-,23+/s2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
4 -47.9n/an/an/an/an/a7.525



AbbVie Inc.



Assay Description
For the assay, compounds were dispensed in assay-ready plates using a three-fold serial dilution from 50 μM to ~850 pM using an Echo 550 Acousti...


Nat Chem Biol 13: 389-395 (2017)


Article DOI: 10.1038/nchembio.2306
BindingDB Entry DOI: 10.7270/Q2NG4PGD
More data for this
Ligand-Target Pair
Polycomb protein EED (EED)


(Homo sapiens (Human))
BDBM223984
PNG
(rac-(3R,4S)-1-(2-methoxybenzyl)-N,N-dimethyl-4-(1-...)
Show SMILES COc1ccccc1CN1C[C@@H]([C@H](C1)c1cn(C)c2ccccc12)N(C)C |r|
Show InChI InChI=1/C23H29N3O/c1-24(2)22-16-26(13-17-9-5-8-12-23(17)27-4)15-20(22)19-14-25(3)21-11-7-6-10-18(19)21/h5-12,14,20,22H,13,15-16H2,1-4H3/t20-,22+/s2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
1.20E+3 -33.8n/an/an/an/an/a7.525



AbbVie Inc.



Assay Description
For the assay, compounds were dispensed in assay-ready plates using a three-fold serial dilution from 50 μM to ~850 pM using an Echo 550 Acousti...


Nat Chem Biol 13: 389-395 (2017)


Article DOI: 10.1038/nchembio.2306
BindingDB Entry DOI: 10.7270/Q2NG4PGD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Polycomb protein EED (EED)


(Homo sapiens (Human))
BDBM223989
PNG
(A-395N (6))
Show SMILES CN(C)[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccc(cc1)N1CCN(CC1)S(C)(=O)=O |r|
Show InChI InChI=1/C24H34N4O2S/c1-25(2)24-19-26(17-20-7-5-4-6-8-20)18-23(24)21-9-11-22(12-10-21)27-13-15-28(16-14-27)31(3,29)30/h4-12,23-24H,13-19H2,1-3H3/t23-,24+/s2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
1.83E+3 -32.7n/an/an/an/an/a7.525



AbbVie Inc.



Assay Description
For the assay, compounds were dispensed in assay-ready plates using a three-fold serial dilution from 50 μM to ~850 pM using an Echo 550 Acousti...


Nat Chem Biol 13: 389-395 (2017)


Article DOI: 10.1038/nchembio.2306
BindingDB Entry DOI: 10.7270/Q2NG4PGD
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1 (CDPK1)


(Toxoplasma gondii)
BDBM50446179
PNG
(CHEMBL3109011 | US9518026, Example 39)
Show SMILES CCOc1ccc2cc(cnc2c1)-c1nn(c(N)c1C(N)=O)C(C)(C)C
Show InChI InChI=1S/C19H23N5O2/c1-5-26-13-7-6-11-8-12(10-22-14(11)9-13)16-15(18(21)25)17(20)24(23-16)19(2,3)4/h6-10H,5,20H2,1-4H3,(H2,21,25)
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 2n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of Toxoplasma gondii CDPK1 using PLARTLSVAGLPGKK-OH as substrate


ACS Med Chem Lett 5: 40-44 (2014)


Article DOI: 10.1021/ml400315s
BindingDB Entry DOI: 10.7270/Q28917BZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Calmodulin-domain protein kinase 1 (CDPK1)


(Toxoplasma gondii)
BDBM50446181
PNG
(CHEMBL3108912 | US9518026, Example 1)
Show SMILES CC(C)(C)n1nc(c(C(N)=O)c1N)-c1ccc2ccccc2c1
Show InChI InChI=1S/C18H20N4O/c1-18(2,3)22-16(19)14(17(20)23)15(21-22)13-9-8-11-6-4-5-7-12(11)10-13/h4-10H,19H2,1-3H3,(H2,20,23)
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of Toxoplasma gondii CDPK1 using PLARTLSVAGLPGKK-OH as substrate


ACS Med Chem Lett 5: 40-44 (2014)


Article DOI: 10.1021/ml400315s
BindingDB Entry DOI: 10.7270/Q28917BZ
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1 (CDPK1)


(Toxoplasma gondii)
BDBM50446180
PNG
(CHEMBL3108998 | US9518026, Example 25)
Show SMILES COc1ccc2cc(ccc2c1)-c1nn(c(N)c1C(N)=O)C(C)(C)C
Show InChI InChI=1S/C19H22N4O2/c1-19(2,3)23-17(20)15(18(21)24)16(22-23)13-6-5-12-10-14(25-4)8-7-11(12)9-13/h5-10H,20H2,1-4H3,(H2,21,24)
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of Toxoplasma gondii CDPK1 using PLARTLSVAGLPGKK-OH as substrate


ACS Med Chem Lett 5: 40-44 (2014)


Article DOI: 10.1021/ml400315s
BindingDB Entry DOI: 10.7270/Q28917BZ
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1 (CDPK1)


(Toxoplasma gondii)
BDBM50446178
PNG
(CHEMBL3108913 | US9518026, Example 3)
Show SMILES CCOc1ccc2cc(ccc2c1)-c1nn(c(N)c1C(N)=O)C(C)(C)C
Show InChI InChI=1S/C20H24N4O2/c1-5-26-15-9-8-12-10-14(7-6-13(12)11-15)17-16(19(22)25)18(21)24(23-17)20(2,3)4/h6-11H,5,21H2,1-4H3,(H2,22,25)
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of Toxoplasma gondii CDPK1 using PLARTLSVAGLPGKK-OH as substrate


ACS Med Chem Lett 5: 40-44 (2014)


Article DOI: 10.1021/ml400315s
BindingDB Entry DOI: 10.7270/Q28917BZ
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1 (CDPK1)


(Toxoplasma gondii)
BDBM50446177
PNG
(CHEMBL3108991 | US9518026, Example 18)
Show SMILES NC(=O)c1c(N)n(CC(F)(F)F)nc1-c1ccc2ccccc2c1
Show InChI InChI=1S/C16H13F3N4O/c17-16(18,19)8-23-14(20)12(15(21)24)13(22-23)11-6-5-9-3-1-2-4-10(9)7-11/h1-7H,8,20H2,(H2,21,24)
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of Toxoplasma gondii CDPK1 using PLARTLSVAGLPGKK-OH as substrate


ACS Med Chem Lett 5: 40-44 (2014)


Article DOI: 10.1021/ml400315s
BindingDB Entry DOI: 10.7270/Q28917BZ
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1 (CDPK1)


(Toxoplasma gondii)
BDBM50446176
PNG
(CHEMBL3108996 | US9518026, Example 23)
Show SMILES NC(=O)c1c(N)n(CCN2CCOCC2)nc1-c1ccc2ccccc2c1
Show InChI InChI=1S/C20H23N5O2/c21-19-17(20(22)26)18(16-6-5-14-3-1-2-4-15(14)13-16)23-25(19)8-7-24-9-11-27-12-10-24/h1-6,13H,7-12,21H2,(H2,22,26)
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of Toxoplasma gondii CDPK1 using PLARTLSVAGLPGKK-OH as substrate


ACS Med Chem Lett 5: 40-44 (2014)


Article DOI: 10.1021/ml400315s
BindingDB Entry DOI: 10.7270/Q28917BZ
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1 (CDPK1)


(Toxoplasma gondii)
BDBM50446174
PNG
(CHEMBL3109010 | US9518026, Example 38)
Show SMILES CC(C)(C)n1nc(c(C(N)=O)c1N)-c1cnc2ccccc2c1
Show InChI InChI=1S/C17H19N5O/c1-17(2,3)22-15(18)13(16(19)23)14(21-22)11-8-10-6-4-5-7-12(10)20-9-11/h4-9H,18H2,1-3H3,(H2,19,23)
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of Toxoplasma gondii CDPK1 using PLARTLSVAGLPGKK-OH as substrate


ACS Med Chem Lett 5: 40-44 (2014)


Article DOI: 10.1021/ml400315s
BindingDB Entry DOI: 10.7270/Q28917BZ
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1 (CDPK1)


(Toxoplasma gondii)
BDBM50446175
PNG
(CHEMBL3108986 | US9518026, Example 13)
Show SMILES CC(C)n1nc(c(C(N)=O)c1N)-c1ccc2ccccc2c1
Show InChI InChI=1S/C17H18N4O/c1-10(2)21-16(18)14(17(19)22)15(20-21)13-8-7-11-5-3-4-6-12(11)9-13/h3-10H,18H2,1-2H3,(H2,19,22)
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of Toxoplasma gondii CDPK1 using PLARTLSVAGLPGKK-OH as substrate


ACS Med Chem Lett 5: 40-44 (2014)


Article DOI: 10.1021/ml400315s
BindingDB Entry DOI: 10.7270/Q28917BZ
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1 (CDPK1)


(Toxoplasma gondii)
BDBM50446173
PNG
(CHEMBL3108988 | US9518026, Example 15)
Show SMILES NC(=O)c1c(N)n(CC2CC2)nc1-c1ccc2ccccc2c1
Show InChI InChI=1S/C18H18N4O/c19-17-15(18(20)23)16(21-22(17)10-11-5-6-11)14-8-7-12-3-1-2-4-13(12)9-14/h1-4,7-9,11H,5-6,10,19H2,(H2,20,23)
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of Toxoplasma gondii CDPK1 using PLARTLSVAGLPGKK-OH as substrate


ACS Med Chem Lett 5: 40-44 (2014)


Article DOI: 10.1021/ml400315s
BindingDB Entry DOI: 10.7270/Q28917BZ
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1 (CDPK1)


(Toxoplasma gondii)
BDBM50446171
PNG
(CHEMBL3108999 | US9518026, Example 26)
Show SMILES CCCOc1ccc2cc(ccc2c1)-c1nn(c(N)c1C(N)=O)C(C)(C)C
Show InChI InChI=1S/C21H26N4O2/c1-5-10-27-16-9-8-13-11-15(7-6-14(13)12-16)18-17(20(23)26)19(22)25(24-18)21(2,3)4/h6-9,11-12H,5,10,22H2,1-4H3,(H2,23,26)
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of Toxoplasma gondii CDPK1 using PLARTLSVAGLPGKK-OH as substrate


ACS Med Chem Lett 5: 40-44 (2014)


Article DOI: 10.1021/ml400315s
BindingDB Entry DOI: 10.7270/Q28917BZ
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1 (CDPK1)


(Toxoplasma gondii)
BDBM50446172
PNG
(CHEMBL3108997 | US9518026, Example 24)
Show SMILES CC(C)(C)n1nc(c(C(N)=O)c1N)-c1ccc2cc(O)ccc2c1
Show InChI InChI=1S/C18H20N4O2/c1-18(2,3)22-16(19)14(17(20)24)15(21-22)12-5-4-11-9-13(23)7-6-10(11)8-12/h4-9,23H,19H2,1-3H3,(H2,20,24)
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of Toxoplasma gondii CDPK1 using PLARTLSVAGLPGKK-OH as substrate


ACS Med Chem Lett 5: 40-44 (2014)


Article DOI: 10.1021/ml400315s
BindingDB Entry DOI: 10.7270/Q28917BZ
More data for this
Ligand-Target Pair
Polycomb protein EED (EED)


(Homo sapiens (Human))
BDBM223987
PNG
(A-395 (5) | rac-(3R,4S)-1-(7-fluoro-2,3-dihydro-1H...)
Show SMILES CN(C)[C@H]1CN(C[C@@H]1c1ccc(cc1)N1CCN(CC1)S(C)(=O)=O)C1CCc2cccc(F)c12 |r,w:24.26|
Show InChI InChI=1/C26H35FN4O2S/c1-28(2)25-18-30(24-12-9-20-5-4-6-23(27)26(20)24)17-22(25)19-7-10-21(11-8-19)29-13-15-31(16-14-29)34(3,32)33/h4-8,10-11,22,24-25H,9,12-18H2,1-3H3/t22-,24?,25+/s2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.51n/an/an/an/a7.525



AbbVie Inc.



Assay Description
For the assay, compounds or nonbiotinylated H3(23-34) peptide were dispensed in assay-ready plates using a three-fold serial dilution from 50 μM...


Nat Chem Biol 13: 389-395 (2017)


Article DOI: 10.1038/nchembio.2306
BindingDB Entry DOI: 10.7270/Q2NG4PGD
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1 (CDPK1)


(Toxoplasma gondii)
BDBM50446169
PNG
(CHEMBL3108987 | US9518026, Example 14)
Show SMILES CC(C)Cn1nc(c(C(N)=O)c1N)-c1ccc2ccccc2c1
Show InChI InChI=1S/C18H20N4O/c1-11(2)10-22-17(19)15(18(20)23)16(21-22)14-8-7-12-5-3-4-6-13(12)9-14/h3-9,11H,10,19H2,1-2H3,(H2,20,23)
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of Toxoplasma gondii CDPK1 using PLARTLSVAGLPGKK-OH as substrate


ACS Med Chem Lett 5: 40-44 (2014)


Article DOI: 10.1021/ml400315s
BindingDB Entry DOI: 10.7270/Q28917BZ
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1 (CDPK1)


(Toxoplasma gondii)
BDBM50446170
PNG
(CHEMBL3108985 | US9518026, Example 12)
Show SMILES CCn1nc(c(C(N)=O)c1N)-c1ccc2ccccc2c1
Show InChI InChI=1S/C16H16N4O/c1-2-20-15(17)13(16(18)21)14(19-20)12-8-7-10-5-3-4-6-11(10)9-12/h3-9H,2,17H2,1H3,(H2,18,21)
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of Toxoplasma gondii CDPK1 using PLARTLSVAGLPGKK-OH as substrate


ACS Med Chem Lett 5: 40-44 (2014)


Article DOI: 10.1021/ml400315s
BindingDB Entry DOI: 10.7270/Q28917BZ
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (Human))
BDBM17478
PNG
(2-benzenesulfonamido-5,6,7,8-tetrahydronaphthalene...)
Show SMILES OC(=O)c1c(NS(=O)(=O)c2ccccc2)ccc2CCCCc12
Show InChI InChI=1S/C17H17NO4S/c19-17(20)16-14-9-5-4-6-12(14)10-11-15(16)18-23(21,22)13-7-2-1-3-8-13/h1-3,7-8,10-11,18H,4-6,9H2,(H,19,20)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

PDB
Article
PubMed
n/an/a 9n/an/an/an/a7.422



Abbott Laboratories



Assay Description
A coupled enzyme chromogenic assay was developed to measure methionine aminopeptidase-2 activity by monitoring the production of free methionine with...


Bioorg Med Chem Lett 16: 3574-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.085
BindingDB Entry DOI: 10.7270/Q2TB1556
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Calmodulin-domain protein kinase 1 (CDPK1)


(Toxoplasma gondii)
BDBM50446168
PNG
(CHEMBL3109009 | US9518026, Example 37)
Show SMILES CC(C)(C)n1nc(c(C(N)=O)c1N)-c1ccc2ncccc2c1
Show InChI InChI=1S/C17H19N5O/c1-17(2,3)22-15(18)13(16(19)23)14(21-22)11-6-7-12-10(9-11)5-4-8-20-12/h4-9H,18H2,1-3H3,(H2,19,23)
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 10n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of Toxoplasma gondii CDPK1 using PLARTLSVAGLPGKK-OH as substrate


ACS Med Chem Lett 5: 40-44 (2014)


Article DOI: 10.1021/ml400315s
BindingDB Entry DOI: 10.7270/Q28917BZ
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (Human))
BDBM17607
PNG
(2-[(4-fluorobenzene)sulfonamido]-5,6,7,8-tetrahydr...)
Show SMILES OC(=O)c1c(NS(=O)(=O)c2ccc(F)cc2)ccc2CCCCc12
Show InChI InChI=1S/C17H16FNO4S/c18-12-6-8-13(9-7-12)24(22,23)19-15-10-5-11-3-1-2-4-14(11)16(15)17(20)21/h5-10,19H,1-4H2,(H,20,21)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 10n/an/an/an/a7.422



Abbott Laboratories



Assay Description
A coupled enzyme chromogenic assay was developed to measure methionine aminopeptidase-2 activity by monitoring the production of free methionine with...


Bioorg Med Chem Lett 16: 3574-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.085
BindingDB Entry DOI: 10.7270/Q2TB1556
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1 (CDPK1)


(Toxoplasma gondii)
BDBM50446167
PNG
(CHEMBL3108916 | US9518026, Example 8)
Show SMILES CCOc1ccc2cc(ccc2c1)-c1nn(CC2CCN(C)CC2)c(N)c1C(N)=O
Show InChI InChI=1S/C23H29N5O2/c1-3-30-19-7-6-16-12-18(5-4-17(16)13-19)21-20(23(25)29)22(24)28(26-21)14-15-8-10-27(2)11-9-15/h4-7,12-13,15H,3,8-11,14,24H2,1-2H3,(H2,25,29)
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 11n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of Toxoplasma gondii CDPK1 using PLARTLSVAGLPGKK-OH as substrate


ACS Med Chem Lett 5: 40-44 (2014)


Article DOI: 10.1021/ml400315s
BindingDB Entry DOI: 10.7270/Q28917BZ
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1 (CDPK1)


(Toxoplasma gondii)
BDBM50446166
PNG
(CHEMBL3108990 | US9518026, Example 17)
Show SMILES NC(=O)c1c(N)n(nc1-c1ccc2ccccc2c1)C1CCCCC1
Show InChI InChI=1S/C20H22N4O/c21-19-17(20(22)25)18(23-24(19)16-8-2-1-3-9-16)15-11-10-13-6-4-5-7-14(13)12-15/h4-7,10-12,16H,1-3,8-9,21H2,(H2,22,25)
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 11n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of Toxoplasma gondii CDPK1 using PLARTLSVAGLPGKK-OH as substrate


ACS Med Chem Lett 5: 40-44 (2014)


Article DOI: 10.1021/ml400315s
BindingDB Entry DOI: 10.7270/Q28917BZ
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1 (CDPK1)


(Toxoplasma gondii)
BDBM50446165
PNG
(CHEMBL3108992 | US9518026, Example 19)
Show SMILES CC(C)(C)Cn1nc(c(C(N)=O)c1N)-c1ccc2ccccc2c1
Show InChI InChI=1S/C19H22N4O/c1-19(2,3)11-23-17(20)15(18(21)24)16(22-23)14-9-8-12-6-4-5-7-13(12)10-14/h4-10H,11,20H2,1-3H3,(H2,21,24)
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 11n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of Toxoplasma gondii CDPK1 using PLARTLSVAGLPGKK-OH as substrate


ACS Med Chem Lett 5: 40-44 (2014)


Article DOI: 10.1021/ml400315s
BindingDB Entry DOI: 10.7270/Q28917BZ
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (Human))
BDBM17604
PNG
(2-[(4-fluorobenzene)sulfonamido]naphthalene-1-carb...)
Show SMILES OC(=O)c1c(NS(=O)(=O)c2ccc(F)cc2)ccc2ccccc12
Show InChI InChI=1S/C17H12FNO4S/c18-12-6-8-13(9-7-12)24(22,23)19-15-10-5-11-3-1-2-4-14(11)16(15)17(20)21/h1-10,19H,(H,20,21)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 15n/an/an/an/a7.422



Abbott Laboratories



Assay Description
A coupled enzyme chromogenic assay was developed to measure methionine aminopeptidase-2 activity by monitoring the production of free methionine with...


Bioorg Med Chem Lett 16: 3574-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.085
BindingDB Entry DOI: 10.7270/Q2TB1556
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1 (CDPK1)


(Toxoplasma gondii)
BDBM50446164
PNG
(CHEMBL3108995 | US9518026, Example 22)
Show SMILES NC(=O)c1c(N)n(CCO)nc1-c1ccc2ccccc2c1
Show InChI InChI=1S/C16H16N4O2/c17-15-13(16(18)22)14(19-20(15)7-8-21)12-6-5-10-3-1-2-4-11(10)9-12/h1-6,9,21H,7-8,17H2,(H2,18,22)
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 15n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of Toxoplasma gondii CDPK1 using PLARTLSVAGLPGKK-OH as substrate


ACS Med Chem Lett 5: 40-44 (2014)


Article DOI: 10.1021/ml400315s
BindingDB Entry DOI: 10.7270/Q28917BZ
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1 (CDPK1)


(Toxoplasma gondii)
BDBM50446163
PNG
(CHEMBL3109002)
Show SMILES Cn1nc(N)c2ccc(cc12)-c1nn(c(N)c1C(N)=O)C(C)(C)C
Show InChI InChI=1S/C16H21N7O/c1-16(2,3)23-14(18)11(15(19)24)12(20-23)8-5-6-9-10(7-8)22(4)21-13(9)17/h5-7H,18H2,1-4H3,(H2,17,21)(H2,19,24)
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 17n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of Toxoplasma gondii CDPK1 using PLARTLSVAGLPGKK-OH as substrate


ACS Med Chem Lett 5: 40-44 (2014)


Article DOI: 10.1021/ml400315s
BindingDB Entry DOI: 10.7270/Q28917BZ
More data for this
Ligand-Target Pair
Polycomb protein EED (EED)


(Homo sapiens (Human))
BDBM223987
PNG
(A-395 (5) | rac-(3R,4S)-1-(7-fluoro-2,3-dihydro-1H...)
Show SMILES CN(C)[C@H]1CN(C[C@@H]1c1ccc(cc1)N1CCN(CC1)S(C)(=O)=O)C1CCc2cccc(F)c12 |r,w:24.26|
Show InChI InChI=1/C26H35FN4O2S/c1-28(2)25-18-30(24-12-9-20-5-4-6-23(27)26(20)24)17-22(25)19-7-10-21(11-8-19)29-13-15-31(16-14-29)34(3,32)33/h4-8,10-11,22,24-25H,9,12-18H2,1-3H3/t22-,24?,25+/s2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 18n/an/an/an/an/a23



AbbVie Inc.



Assay Description
IC50 values were determined for compounds A-395 and A-395N at 75 nM of EZH2 trimeric complex (EZH2-EED-SUZ12), 3 μM of human nucleosome and 1 &#...


Nat Chem Biol 13: 389-395 (2017)


Article DOI: 10.1038/nchembio.2306
BindingDB Entry DOI: 10.7270/Q2NG4PGD
More data for this
Ligand-Target Pair
Polycomb protein EED (EED)


(Homo sapiens (Human))
BDBM70577
PNG
(H3 peptide)
Show SMILES CSCC[C@H](\N=C(/O)[C@H](C)\N=C(/O)[C@H](Cc1ccc(O)cc1)\N=C(/O)[C@H](Cc1ccccc1)\N=C(/O)C\N=C(/O)C\N=C(/O)[C@H](CCCNC(N)=N)\N=C(/O)[C@H](C)\N=C(/O)[C@@H](N)CS)C(\O)=N\[C@@H](CC(O)=O)C(\O)=N\[C@@H](Cc1ccc(O)cc1)C(\O)=N\[C@@H](Cc1c[nH]c2ccccc12)C(\O)=N\[C@@H](CCC(O)=N)C(\O)=N\C\C(O)=N\[C@@H](CCC(O)=N)C(\O)=N\CC(O)=O
Show InChI InChI=1S/C80H108N22O23S2/c1-41(92-70(116)50(81)40-126)68(114)96-52(14-9-28-86-80(84)85)71(117)89-36-63(107)88-37-64(108)95-56(30-43-10-5-4-6-11-43)76(122)99-57(31-44-15-19-47(103)20-16-44)75(121)93-42(2)69(115)97-55(27-29-127-3)74(120)102-60(34-66(110)111)79(125)100-58(32-45-17-21-48(104)22-18-45)77(123)101-59(33-46-35-87-51-13-8-7-12-49(46)51)78(124)98-54(24-26-62(83)106)73(119)90-38-65(109)94-53(23-25-61(82)105)72(118)91-39-67(112)113/h4-8,10-13,15-22,35,41-42,50,52-60,87,103-104,126H,9,14,23-34,36-40,81H2,1-3H3,(H2,82,105)(H2,83,106)(H,88,107)(H,89,117)(H,90,119)(H,91,118)(H,92,116)(H,93,121)(H,94,109)(H,95,108)(H,96,114)(H,97,115)(H,98,124)(H,99,122)(H,100,125)(H,101,123)(H,102,120)(H,110,111)(H,112,113)(H4,84,85,86)/t41-,42-,50-,52-,53-,54-,55-,56-,57-,58-,59-,60-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 18.1n/an/an/an/a7.525



AbbVie Inc.



Assay Description
For the assay, compounds or nonbiotinylated H3(23-34) peptide were dispensed in assay-ready plates using a three-fold serial dilution from 50 μM...


Nat Chem Biol 13: 389-395 (2017)


Article DOI: 10.1038/nchembio.2306
BindingDB Entry DOI: 10.7270/Q2NG4PGD
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (Human))
BDBM17603
PNG
(2-benzenesulfonamidonaphthalene-1-carboxylic acid ...)
Show SMILES OC(=O)c1c(NS(=O)(=O)c2ccccc2)ccc2ccccc12
Show InChI InChI=1S/C17H13NO4S/c19-17(20)16-14-9-5-4-6-12(14)10-11-15(16)18-23(21,22)13-7-2-1-3-8-13/h1-11,18H,(H,19,20)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 19n/an/an/an/a7.422



Abbott Laboratories



Assay Description
A coupled enzyme chromogenic assay was developed to measure methionine aminopeptidase-2 activity by monitoring the production of free methionine with...


Bioorg Med Chem Lett 16: 3574-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.085
BindingDB Entry DOI: 10.7270/Q2TB1556
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (Human))
BDBM17606
PNG
(2-[(4-fluorobenzene)sulfonamido]-8-methyl-5,6-dihy...)
Show SMILES CC1=CCCc2ccc(NS(=O)(=O)c3ccc(F)cc3)c(C(O)=O)c12 |t:1|
Show InChI InChI=1S/C18H16FNO4S/c1-11-3-2-4-12-5-10-15(17(16(11)12)18(21)22)20-25(23,24)14-8-6-13(19)7-9-14/h3,5-10,20H,2,4H2,1H3,(H,21,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 20n/an/an/an/a7.422



Abbott Laboratories



Assay Description
A coupled enzyme chromogenic assay was developed to measure methionine aminopeptidase-2 activity by monitoring the production of free methionine with...


Bioorg Med Chem Lett 16: 3574-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.085
BindingDB Entry DOI: 10.7270/Q2TB1556
More data for this
Ligand-Target Pair
Protein lysine methyltransferase SUV4-20H1 (SUV4-20H1)


(Homo sapiens (Human))
BDBM223981
PNG
(6,7-Dichloro-N-cyclopentyl-4-(pyridin-4-yl)phthala...)
Show SMILES Clc1cc2c(NC3CCCC3)nnc(-c3ccncc3)c2cc1Cl
Show InChI InChI=1S/C18H16Cl2N4/c19-15-9-13-14(10-16(15)20)18(22-12-3-1-2-4-12)24-23-17(13)11-5-7-21-8-6-11/h5-10,12H,1-4H2,(H,22,24)
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 25n/an/an/an/a8.025



AbbVie



Assay Description
Experiments were performed in triplicate at room temperature with 1 h incubation of 10 μl reaction mixture in buffer of 20 mM Tris-HCl, pH 8.0, ...


Nat Chem Biol 13: 317-324 (2017)


Article DOI: 10.1038/nchembio.2282
BindingDB Entry DOI: 10.7270/Q2X065XF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Calmodulin-domain protein kinase 1 (CDPK1)


(Toxoplasma gondii)
BDBM50446162
PNG
(CHEMBL3108993 | US9518026, Example 20)
Show SMILES CN1CCC(CC1)n1nc(c(C(N)=O)c1N)-c1ccc2ccccc2c1
Show InChI InChI=1S/C20H23N5O/c1-24-10-8-16(9-11-24)25-19(21)17(20(22)26)18(23-25)15-7-6-13-4-2-3-5-14(13)12-15/h2-7,12,16H,8-11,21H2,1H3,(H2,22,26)
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 26n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of Toxoplasma gondii CDPK1 using PLARTLSVAGLPGKK-OH as substrate


ACS Med Chem Lett 5: 40-44 (2014)


Article DOI: 10.1021/ml400315s
BindingDB Entry DOI: 10.7270/Q28917BZ
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (Human))
BDBM17608
PNG
((8S)-2-[(4-fluorobenzene)sulfonamido]-8-methyl-5,6...)
Show SMILES C[C@H]1CCCc2ccc(NS(=O)(=O)c3ccc(F)cc3)c(C(O)=O)c12 |r|
Show InChI InChI=1S/C18H18FNO4S/c1-11-3-2-4-12-5-10-15(17(16(11)12)18(21)22)20-25(23,24)14-8-6-13(19)7-9-14/h5-11,20H,2-4H2,1H3,(H,21,22)/t11-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 27n/an/an/an/a7.422



Abbott Laboratories



Assay Description
A coupled enzyme chromogenic assay was developed to measure methionine aminopeptidase-2 activity by monitoring the production of free methionine with...


Bioorg Med Chem Lett 16: 3574-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.085
BindingDB Entry DOI: 10.7270/Q2TB1556
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1 (CDPK1)


(Toxoplasma gondii)
BDBM50446160
PNG
(CHEMBL3109006 | US9518026, Example 34)
Show SMILES CC(C)(C)n1nc(c(C(N)=O)c1N)-c1ccc2oc(=O)ccc2c1
Show InChI InChI=1S/C17H18N4O3/c1-17(2,3)21-15(18)13(16(19)23)14(20-21)10-4-6-11-9(8-10)5-7-12(22)24-11/h4-8H,18H2,1-3H3,(H2,19,23)
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 32n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of Toxoplasma gondii CDPK1 using PLARTLSVAGLPGKK-OH as substrate


ACS Med Chem Lett 5: 40-44 (2014)


Article DOI: 10.1021/ml400315s
BindingDB Entry DOI: 10.7270/Q28917BZ
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1 (CDPK1)


(Toxoplasma gondii)
BDBM50446161
PNG
(CHEMBL3109003 | US9518026, Example 30)
Show SMILES Cn1ncc2cc(ccc12)-c1nn(c(N)c1C(N)=O)C(C)(C)C
Show InChI InChI=1S/C16H20N6O/c1-16(2,3)22-14(17)12(15(18)23)13(20-22)9-5-6-11-10(7-9)8-19-21(11)4/h5-8H,17H2,1-4H3,(H2,18,23)
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 32n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of Toxoplasma gondii CDPK1 using PLARTLSVAGLPGKK-OH as substrate


ACS Med Chem Lett 5: 40-44 (2014)


Article DOI: 10.1021/ml400315s
BindingDB Entry DOI: 10.7270/Q28917BZ
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1 (CDPK1)


(Toxoplasma gondii)
BDBM50446158
PNG
(CHEMBL3108917 | US9518026, Example 10)
Show SMILES COc1ccc2cc(ccc2c1)-c1nn(CC2CCN(C)CC2)c(N)c1C(N)=O
Show InChI InChI=1S/C22H27N5O2/c1-26-9-7-14(8-10-26)13-27-21(23)19(22(24)28)20(25-27)17-4-3-16-12-18(29-2)6-5-15(16)11-17/h3-6,11-12,14H,7-10,13,23H2,1-2H3,(H2,24,28)
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 35n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of Toxoplasma gondii CDPK1 using PLARTLSVAGLPGKK-OH as substrate


ACS Med Chem Lett 5: 40-44 (2014)


Article DOI: 10.1021/ml400315s
BindingDB Entry DOI: 10.7270/Q28917BZ
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1 (CDPK1)


(Toxoplasma gondii)
BDBM50446159
PNG
(CHEMBL3108915 | US9518026, Example 6)
Show SMILES NC(=O)c1c(N)n(CC2CCNCC2)nc1-c1ccc2ccccc2c1
Show InChI InChI=1S/C20H23N5O/c21-19-17(20(22)26)18(24-25(19)12-13-7-9-23-10-8-13)16-6-5-14-3-1-2-4-15(14)11-16/h1-6,11,13,23H,7-10,12,21H2,(H2,22,26)
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 35n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of Toxoplasma gondii CDPK1 using PLARTLSVAGLPGKK-OH as substrate


ACS Med Chem Lett 5: 40-44 (2014)


Article DOI: 10.1021/ml400315s
BindingDB Entry DOI: 10.7270/Q28917BZ
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1 (CDPK1)


(Toxoplasma gondii)
BDBM50446157
PNG
(CHEMBL3108994 | US9518026, Example 21)
Show SMILES CN1CCC(Cn2nc(c(C(N)=O)c2N)-c2ccc3ccccc3c2)CC1
Show InChI InChI=1S/C21H25N5O/c1-25-10-8-14(9-11-25)13-26-20(22)18(21(23)27)19(24-26)17-7-6-15-4-2-3-5-16(15)12-17/h2-7,12,14H,8-11,13,22H2,1H3,(H2,23,27)
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 39n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of Toxoplasma gondii CDPK1 using PLARTLSVAGLPGKK-OH as substrate


ACS Med Chem Lett 5: 40-44 (2014)


Article DOI: 10.1021/ml400315s
BindingDB Entry DOI: 10.7270/Q28917BZ
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1 (CDPK1)


(Toxoplasma gondii)
BDBM50446156
PNG
(CHEMBL3109001)
Show SMILES CC(C)(C)n1nc(c(C(N)=O)c1N)-c1ccc2c(N)n[nH]c2c1
Show InChI InChI=1S/C15H19N7O/c1-15(2,3)22-13(17)10(14(18)23)11(21-22)7-4-5-8-9(6-7)19-20-12(8)16/h4-6H,17H2,1-3H3,(H2,18,23)(H3,16,19,20)
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 40n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of Toxoplasma gondii CDPK1 using PLARTLSVAGLPGKK-OH as substrate


ACS Med Chem Lett 5: 40-44 (2014)


Article DOI: 10.1021/ml400315s
BindingDB Entry DOI: 10.7270/Q28917BZ
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1 (CDPK1)


(Toxoplasma gondii)
BDBM50446155
PNG
(CHEMBL3109007 | US9518026, Example 35)
Show SMILES CC(C)(C)n1nc(c(C(N)=O)c1N)-c1ccc2ccccc2n1
Show InChI InChI=1S/C17H19N5O/c1-17(2,3)22-15(18)13(16(19)23)14(21-22)12-9-8-10-6-4-5-7-11(10)20-12/h4-9H,18H2,1-3H3,(H2,19,23)
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 49n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of Toxoplasma gondii CDPK1 using PLARTLSVAGLPGKK-OH as substrate


ACS Med Chem Lett 5: 40-44 (2014)


Article DOI: 10.1021/ml400315s
BindingDB Entry DOI: 10.7270/Q28917BZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Calmodulin-domain protein kinase 1 (CDPK1)


(Toxoplasma gondii)
BDBM50446154
PNG
(CHEMBL3108989 | US9518026, Example 16)
Show SMILES NC(=O)c1c(N)n(CC2CCCCC2)nc1-c1ccc2ccccc2c1
Show InChI InChI=1S/C21H24N4O/c22-20-18(21(23)26)19(24-25(20)13-14-6-2-1-3-7-14)17-11-10-15-8-4-5-9-16(15)12-17/h4-5,8-12,14H,1-3,6-7,13,22H2,(H2,23,26)
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 59n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of Toxoplasma gondii CDPK1 using PLARTLSVAGLPGKK-OH as substrate


ACS Med Chem Lett 5: 40-44 (2014)


Article DOI: 10.1021/ml400315s
BindingDB Entry DOI: 10.7270/Q28917BZ
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1 (CDPK1)


(Toxoplasma gondii)
BDBM50446153
PNG
(CHEMBL3108984 | US9518026, Example 11)
Show SMILES COc1ccc2cc(ccc2c1)-c1n[nH]c(N)c1C(N)=O
Show InChI InChI=1S/C15H14N4O2/c1-21-11-5-4-8-6-10(3-2-9(8)7-11)13-12(15(17)20)14(16)19-18-13/h2-7H,1H3,(H2,17,20)(H3,16,18,19)
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 81n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of Toxoplasma gondii CDPK1 using PLARTLSVAGLPGKK-OH as substrate


ACS Med Chem Lett 5: 40-44 (2014)


Article DOI: 10.1021/ml400315s
BindingDB Entry DOI: 10.7270/Q28917BZ
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (Human))
BDBM17600
PNG
(2-benzenesulfonamido-5-ethylbenzoic acid | sulfona...)
Show SMILES CCc1ccc(NS(=O)(=O)c2ccccc2)c(c1)C(O)=O
Show InChI InChI=1S/C15H15NO4S/c1-2-11-8-9-14(13(10-11)15(17)18)16-21(19,20)12-6-4-3-5-7-12/h3-10,16H,2H2,1H3,(H,17,18)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 90n/an/an/an/a7.422



Abbott Laboratories



Assay Description
A coupled enzyme chromogenic assay was developed to measure methionine aminopeptidase-2 activity by monitoring the production of free methionine with...


Bioorg Med Chem Lett 16: 3574-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.085
BindingDB Entry DOI: 10.7270/Q2TB1556
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1 (CDPK1)


(Toxoplasma gondii)
BDBM50446152
PNG
(CHEMBL3108914 | US9518026, Example 5)
Show SMILES CCOc1ccc2cc(ccc2c1)-c1nn(cc1C(N)=O)C(C)(C)C
Show InChI InChI=1S/C20H23N3O2/c1-5-25-16-9-8-13-10-15(7-6-14(13)11-16)18-17(19(21)24)12-23(22-18)20(2,3)4/h6-12H,5H2,1-4H3,(H2,21,24)
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 130n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of Toxoplasma gondii CDPK1 using PLARTLSVAGLPGKK-OH as substrate


ACS Med Chem Lett 5: 40-44 (2014)


Article DOI: 10.1021/ml400315s
BindingDB Entry DOI: 10.7270/Q28917BZ
More data for this
Ligand-Target Pair
Protein lysine methyltransferase SUV4-20H2 (SUV4-20H2)


(Homo sapiens (Human))
BDBM223981
PNG
(6,7-Dichloro-N-cyclopentyl-4-(pyridin-4-yl)phthala...)
Show SMILES Clc1cc2c(NC3CCCC3)nnc(-c3ccncc3)c2cc1Cl
Show InChI InChI=1S/C18H16Cl2N4/c19-15-9-13-14(10-16(15)20)18(22-12-3-1-2-4-12)24-23-17(13)11-5-7-21-8-6-11/h5-10,12H,1-4H2,(H,22,24)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 144n/an/an/an/a8.025



AbbVie



Assay Description
Experiments were performed in triplicate at room temperature with 1 h incubation of 10 μl reaction mixture in buffer of 20 mM Tris-HCl, pH 8.0, ...


Nat Chem Biol 13: 317-324 (2017)


Article DOI: 10.1038/nchembio.2282
BindingDB Entry DOI: 10.7270/Q2X065XF
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1 (CDPK1)


(Toxoplasma gondii)
BDBM50446151
PNG
(CHEMBL3109008 | US9518026, Example 36)
Show SMILES CCOc1ccc2nc(ccc2c1)-c1nn(c(N)c1C(N)=O)C(C)(C)C
Show InChI InChI=1S/C19H23N5O2/c1-5-26-12-7-9-13-11(10-12)6-8-14(22-13)16-15(18(21)25)17(20)24(23-16)19(2,3)4/h6-10H,5,20H2,1-4H3,(H2,21,25)
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 350n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of Toxoplasma gondii CDPK1 using PLARTLSVAGLPGKK-OH as substrate


ACS Med Chem Lett 5: 40-44 (2014)


Article DOI: 10.1021/ml400315s
BindingDB Entry DOI: 10.7270/Q28917BZ
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (Human))
BDBM17599
PNG
(2-benzenesulfonamido-3,5-dimethylbenzoic acid | su...)
Show SMILES Cc1cc(C)c(NS(=O)(=O)c2ccccc2)c(c1)C(O)=O
Show InChI InChI=1S/C15H15NO4S/c1-10-8-11(2)14(13(9-10)15(17)18)16-21(19,20)12-6-4-3-5-7-12/h3-9,16H,1-2H3,(H,17,18)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 350n/an/an/an/a7.422



Abbott Laboratories



Assay Description
A coupled enzyme chromogenic assay was developed to measure methionine aminopeptidase-2 activity by monitoring the production of free methionine with...


Bioorg Med Chem Lett 16: 3574-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.085
BindingDB Entry DOI: 10.7270/Q2TB1556
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 101 total )  |  Next  |  Last  >>
Jump to: