Found 58 hits with Last Name = 'han' and Initial = 'yr' Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50093525
(taiwaniaflavone)Show SMILES Oc1ccc(cc1)-c1oc2cc(O)cc(O)c2c(=O)c1-c1cc(ccc1O)-c1cc(=O)c2c(O)cc(O)cc2o1 |(2.2,-12.35,;.87,-13.13,;.88,-14.67,;-.45,-15.44,;-1.79,-14.67,;-1.8,-13.14,;-.47,-12.36,;-3.12,-15.45,;-4.47,-14.67,;-5.81,-15.46,;-7.15,-14.7,;-8.47,-15.47,;-9.81,-14.7,;-8.48,-17.01,;-7.14,-17.78,;-7.15,-19.32,;-5.8,-17.02,;-4.46,-17.78,;-4.45,-19.32,;-3.11,-17,;-1.78,-17.77,;-.46,-17,;.88,-17.76,;.89,-19.3,;-.45,-20.08,;-1.78,-19.31,;-3.11,-20.08,;2.21,-16.98,;2.19,-15.44,;3.52,-14.67,;3.52,-13.13,;4.86,-15.43,;6.18,-14.67,;6.17,-13.13,;7.51,-15.42,;7.52,-16.96,;8.86,-17.73,;6.19,-17.73,;4.86,-16.97,;3.54,-17.75,)| Show InChI InChI=1S/C30H18O10/c31-15-4-1-13(2-5-15)30-26(29(38)28-21(36)9-17(33)11-25(28)40-30)18-7-14(3-6-19(18)34)23-12-22(37)27-20(35)8-16(32)10-24(27)39-23/h1-12,31-36H | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Catholic University of Daegu
Curated by ChEMBL
| Assay Description
Mixed-competitive inhibition of human recombinant PTP1B using p-NPP as substrate preincubated for 10 mins followed by substrate addition measured aft... |
Bioorg Med Chem 23: 3730-7 (2015)
Article DOI: 10.1016/j.bmc.2015.04.007
BindingDB Entry DOI: 10.7270/Q25T3N81 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50259862
(13,II8-biapigenin | 3,8''-biapigenin | CHEMBL51525...)Show SMILES Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)c(-c3c(oc4cc(O)cc(O)c4c3=O)-c3ccc(O)cc3)c2o1 |(4.11,-9.88,;3.39,-11.25,;4.21,-12.55,;3.49,-13.91,;1.94,-13.97,;1.13,-12.67,;1.84,-11.31,;1.22,-15.32,;2.03,-16.61,;1.32,-17.95,;2.13,-19.25,;-.19,-18,;-.92,-19.36,;-.11,-20.67,;-2.45,-19.41,;-3.25,-18.11,;-4.31,-19.19,;-2.52,-16.76,;-3.32,-15.46,;-3.32,-13.91,;-4.67,-13.14,;-6,-13.93,;-7.34,-13.16,;-8.67,-13.94,;-10.01,-13.17,;-8.67,-15.48,;-7.34,-16.25,;-7.34,-17.8,;-6,-15.48,;-4.66,-16.24,;-4.56,-17.65,;-2.16,-12.91,;-.7,-13.43,;.47,-12.42,;.18,-10.91,;1.35,-9.9,;-1.28,-10.4,;-2.45,-11.41,;-1,-16.72,;-.3,-15.38,)| Show InChI InChI=1S/C30H18O10/c31-15-5-1-13(2-6-15)22-12-21(37)24-19(35)11-20(36)26(30(24)39-22)27-28(38)25-18(34)9-17(33)10-23(25)40-29(27)14-3-7-16(32)8-4-14/h1-12,31-36H | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Catholic University of Daegu
Curated by ChEMBL
| Assay Description
Mixed-competitive inhibition of human recombinant PTP1B using p-NPP as substrate preincubated for 10 mins followed by substrate addition measured aft... |
Bioorg Med Chem 23: 3730-7 (2015)
Article DOI: 10.1016/j.bmc.2015.04.007
BindingDB Entry DOI: 10.7270/Q25T3N81 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50148911
((3beta)-3-hydroxyurs-12-en-28-oic acid | 3beta-hyd...)Show SMILES C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O |r,c:9| Show InChI InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
KEGG
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| 6.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Catholic University of Daegu
Curated by ChEMBL
| Assay Description
Mixed-competitive inhibition of human recombinant PTP1B using p-NPP as substrate preincubated for 10 mins followed by substrate addition measured aft... |
Bioorg Med Chem 23: 3730-7 (2015)
Article DOI: 10.1016/j.bmc.2015.04.007
BindingDB Entry DOI: 10.7270/Q25T3N81 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50323212
(6-[5-(5,7-Dihydroxy-4-oxo-4H-chromen-2-yl)-2-hydro...)Show SMILES Oc1ccc(cc1)-c1cc(=O)c2c(O)c(c(O)cc2o1)-c1cc(ccc1O)-c1cc(O)c2c(cc(O)cc2=O)o1 |(14.56,-27.41,;13.23,-26.63,;11.89,-27.39,;10.56,-26.61,;10.57,-25.07,;11.9,-24.31,;13.23,-25.08,;9.25,-24.3,;7.91,-25.06,;6.59,-24.28,;5.25,-25.04,;6.6,-22.75,;5.27,-21.99,;3.93,-22.76,;5.28,-20.46,;6.6,-19.69,;6.6,-18.15,;7.93,-20.45,;7.93,-21.99,;9.26,-22.76,;3.95,-19.69,;2.61,-20.46,;1.28,-19.68,;1.28,-18.14,;2.61,-17.37,;3.95,-18.15,;5.29,-17.38,;-.06,-20.44,;-.06,-22,;-1.41,-22.77,;-1.41,-24.31,;-2.75,-21.99,;-2.75,-20.44,;-4.08,-19.67,;-5.41,-20.45,;-6.75,-19.67,;-5.42,-21.99,;-4.08,-22.76,;-4.08,-24.3,;-1.41,-19.66,)| Show InChI InChI=1S/C30H18O10/c31-15-4-1-13(2-5-15)23-11-22(37)29-26(39-23)12-20(35)27(30(29)38)17-7-14(3-6-18(17)33)24-10-21(36)28-19(34)8-16(32)9-25(28)40-24/h1-12,31-33,35-36,38H | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 6.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Catholic University of Daegu
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PTP1B using p-NPP as substrate preincubated for 10 mins followed by substrate addition measured after 20 mins by micr... |
Bioorg Med Chem 23: 3730-7 (2015)
Article DOI: 10.1016/j.bmc.2015.04.007
BindingDB Entry DOI: 10.7270/Q25T3N81 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50129952
(2-(3-(5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-c...)Show SMILES Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)c(-c3cc(ccc3O)-c3cc(O)c4c(cc(O)cc4=O)o3)c2o1 |(13.25,-26.01,;14.59,-25.24,;14.59,-23.7,;15.92,-22.93,;17.26,-23.7,;17.26,-25.24,;15.93,-26.01,;18.58,-22.93,;19.91,-23.69,;21.23,-22.92,;22.57,-23.69,;21.22,-21.4,;22.56,-20.64,;23.88,-21.41,;22.55,-19.1,;21.22,-18.33,;21.22,-16.79,;19.9,-19.11,;18.57,-18.34,;17.23,-19.1,;15.9,-18.33,;15.9,-16.79,;17.23,-16.02,;18.57,-16.79,;19.91,-16.02,;14.57,-19.09,;14.56,-20.65,;13.21,-21.42,;13.21,-22.96,;11.87,-20.64,;11.88,-19.08,;10.54,-18.32,;9.21,-19.09,;7.87,-18.32,;9.21,-20.64,;10.54,-21.41,;10.54,-22.95,;13.22,-18.3,;19.9,-20.64,;18.58,-21.4,)| Show InChI InChI=1S/C30H18O10/c31-15-4-1-13(2-5-15)24-12-23(38)29-21(36)10-20(35)27(30(29)40-24)17-7-14(3-6-18(17)33)25-11-22(37)28-19(34)8-16(32)9-26(28)39-25/h1-12,31-33,35-37H | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 7.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Catholic University of Daegu
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PTP1B using p-NPP as substrate preincubated for 10 mins followed by substrate addition measured after 20 mins by micr... |
Bioorg Med Chem 23: 3730-7 (2015)
Article DOI: 10.1016/j.bmc.2015.04.007
BindingDB Entry DOI: 10.7270/Q25T3N81 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50093524
(CHEMBL3585680)Show SMILES Oc1ccc(cc1)-c1cc(=O)c2ccc(O)c(-c3cc([C@@H]4CC(=O)c5c(O)cc(O)cc5O4)c(O)cc3O)c2o1 |r,wD:20.20,(1.56,-5.97,;2.63,-5.36,;3.96,-6.14,;5.3,-5.38,;5.31,-3.84,;3.98,-3.06,;2.64,-3.82,;6.65,-3.07,;7.97,-3.85,;9.31,-3.09,;10.37,-3.71,;9.32,-1.55,;10.65,-.79,;10.67,.76,;9.34,1.54,;9.34,2.77,;8,.76,;6.66,1.53,;5.33,.77,;4,1.54,;2.66,.77,;2.66,-.77,;1.33,-1.54,;1.33,-2.77,;,-.77,;-1.33,-1.54,;-1.33,-2.77,;-2.68,-.77,;-2.68,.77,;-3.75,1.39,;-1.33,1.54,;,.77,;1.33,1.54,;4,3.08,;2.93,3.7,;5.33,3.85,;6.67,3.07,;7.73,3.69,;7.99,-.78,;6.65,-1.54,)| Show InChI InChI=1S/C30H20O10/c31-14-3-1-13(2-4-14)25-11-22(36)16-5-6-19(33)28(30(16)40-25)18-9-17(20(34)10-21(18)35)26-12-24(38)29-23(37)7-15(32)8-27(29)39-26/h1-11,26,31-35,37H,12H2/t26-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.04E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Catholic University of Daegu
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PTP1B using p-NPP as substrate preincubated for 10 mins followed by substrate addition measured after 20 mins by micr... |
Bioorg Med Chem 23: 3730-7 (2015)
Article DOI: 10.1016/j.bmc.2015.04.007
BindingDB Entry DOI: 10.7270/Q25T3N81 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50323213
(CHEMBL1208973 | cupressuflavone)Show SMILES Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)c(-c3c(O)cc(O)c4c3oc(cc4=O)-c3ccc(O)cc3)c2o1 |(5.18,-39.53,;3.84,-40.3,;3.85,-41.86,;2.51,-42.63,;1.18,-41.86,;1.18,-40.31,;2.51,-39.54,;-.15,-42.62,;-.15,-44.15,;-1.48,-44.92,;-1.48,-46.46,;-2.8,-44.15,;-4.14,-44.93,;-4.14,-46.48,;-5.47,-44.16,;-5.47,-42.62,;-6.8,-41.84,;-4.13,-41.86,;-4.13,-35.97,;-5.46,-35.2,;-6.8,-35.97,;-5.46,-33.67,;-4.13,-32.9,;-4.13,-31.36,;-2.8,-33.65,;-2.79,-35.2,;-1.45,-35.97,;-.11,-35.19,;-.12,-33.64,;-1.46,-32.87,;-1.46,-31.33,;1.21,-35.96,;1.22,-37.5,;2.55,-38.27,;3.88,-37.5,;5.22,-38.27,;3.88,-35.96,;2.55,-35.19,;-2.8,-42.62,;-1.48,-41.85,)| Show InChI InChI=1S/C30H18O10/c31-15-5-1-13(2-6-15)23-11-21(37)25-17(33)9-19(35)27(29(25)39-23)28-20(36)10-18(34)26-22(38)12-24(40-30(26)28)14-3-7-16(32)8-4-14/h1-12,31-36H | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.07E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Catholic University of Daegu
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PTP1B using p-NPP as substrate preincubated for 10 mins followed by substrate addition measured after 20 mins by micr... |
Bioorg Med Chem 23: 3730-7 (2015)
Article DOI: 10.1016/j.bmc.2015.04.007
BindingDB Entry DOI: 10.7270/Q25T3N81 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50093523
(CHEMBL3585679 | PTP1B spring 6 (6))Show SMILES OCc1ccc(-c2ccc(O)cc2)c(C(O)=O)c1C#Cc1ccc(O)cc1 Show InChI InChI=1S/C22H16O5/c23-13-16-6-12-19(15-4-9-18(25)10-5-15)21(22(26)27)20(16)11-3-14-1-7-17(24)8-2-14/h1-2,4-10,12,23-25H,13H2,(H,26,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 1.45E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Catholic University of Daegu
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PTP1B using p-NPP as substrate preincubated for 10 mins followed by substrate addition measured after 20 mins by micr... |
Bioorg Med Chem 23: 3730-7 (2015)
Article DOI: 10.1016/j.bmc.2015.04.007
BindingDB Entry DOI: 10.7270/Q25T3N81 |
More data for this
Ligand-Target Pair | |
Isocitrate lyase
(Candida albicans) | BDBM50329696
((3-Bromo-4,5-dihydroxyphenyl)(2,3-dibromo-4,5-dihy...)Show InChI InChI=1S/C13H7Br3O5/c14-6-1-4(2-7(17)12(6)20)11(19)5-3-8(18)13(21)10(16)9(5)15/h1-3,17-18,20-21H | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.65E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Inhibition of Candida albicans ATCC 10231 isocitrate lyase |
Bioorg Med Chem Lett 20: 6644-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.015
BindingDB Entry DOI: 10.7270/Q22V2GBW |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50148911
((3beta)-3-hydroxyurs-12-en-28-oic acid | 3beta-hyd...)Show SMILES C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O |r,c:9| Show InChI InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
KEGG
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 3.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Catholic University of Daegu
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PTP1B using p-NPP as substrate preincubated for 10 mins followed by substrate addition measured after 20 mins by micr... |
Bioorg Med Chem 23: 3730-7 (2015)
Article DOI: 10.1016/j.bmc.2015.04.007
BindingDB Entry DOI: 10.7270/Q25T3N81 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50093526
(CHEMBL426373 | RK-682)Show SMILES CCCCCCCCCCCCCCCC(=O)C1=C(O)[C@@H](CO)OC1=O |r,c:17| Show InChI InChI=1S/C21H36O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17(23)19-20(24)18(16-22)26-21(19)25/h18,22,24H,2-16H2,1H3/t18-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 4.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Catholic University of Daegu
Curated by ChEMBL
| Assay Description
Mixed-competitive inhibition of human recombinant PTP1B using p-NPP as substrate preincubated for 10 mins followed by substrate addition measured aft... |
Bioorg Med Chem 23: 3730-7 (2015)
Article DOI: 10.1016/j.bmc.2015.04.007
BindingDB Entry DOI: 10.7270/Q25T3N81 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50259862
(13,II8-biapigenin | 3,8''-biapigenin | CHEMBL51525...)Show SMILES Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)c(-c3c(oc4cc(O)cc(O)c4c3=O)-c3ccc(O)cc3)c2o1 |(4.11,-9.88,;3.39,-11.25,;4.21,-12.55,;3.49,-13.91,;1.94,-13.97,;1.13,-12.67,;1.84,-11.31,;1.22,-15.32,;2.03,-16.61,;1.32,-17.95,;2.13,-19.25,;-.19,-18,;-.92,-19.36,;-.11,-20.67,;-2.45,-19.41,;-3.25,-18.11,;-4.31,-19.19,;-2.52,-16.76,;-3.32,-15.46,;-3.32,-13.91,;-4.67,-13.14,;-6,-13.93,;-7.34,-13.16,;-8.67,-13.94,;-10.01,-13.17,;-8.67,-15.48,;-7.34,-16.25,;-7.34,-17.8,;-6,-15.48,;-4.66,-16.24,;-4.56,-17.65,;-2.16,-12.91,;-.7,-13.43,;.47,-12.42,;.18,-10.91,;1.35,-9.9,;-1.28,-10.4,;-2.45,-11.41,;-1,-16.72,;-.3,-15.38,)| Show InChI InChI=1S/C30H18O10/c31-15-5-1-13(2-6-15)22-12-21(37)24-19(35)11-20(36)26(30(24)39-22)27-28(38)25-18(34)9-17(33)10-23(25)40-29(27)14-3-7-16(32)8-4-14/h1-12,31-36H | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 4.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Catholic University of Daegu
Curated by ChEMBL
| Assay Description
Mixed-competitive inhibition of human recombinant PTP1B using p-NPP as substrate preincubated for 10 mins followed by substrate addition measured aft... |
Bioorg Med Chem 23: 3730-7 (2015)
Article DOI: 10.1016/j.bmc.2015.04.007
BindingDB Entry DOI: 10.7270/Q25T3N81 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50093525
(taiwaniaflavone)Show SMILES Oc1ccc(cc1)-c1oc2cc(O)cc(O)c2c(=O)c1-c1cc(ccc1O)-c1cc(=O)c2c(O)cc(O)cc2o1 |(2.2,-12.35,;.87,-13.13,;.88,-14.67,;-.45,-15.44,;-1.79,-14.67,;-1.8,-13.14,;-.47,-12.36,;-3.12,-15.45,;-4.47,-14.67,;-5.81,-15.46,;-7.15,-14.7,;-8.47,-15.47,;-9.81,-14.7,;-8.48,-17.01,;-7.14,-17.78,;-7.15,-19.32,;-5.8,-17.02,;-4.46,-17.78,;-4.45,-19.32,;-3.11,-17,;-1.78,-17.77,;-.46,-17,;.88,-17.76,;.89,-19.3,;-.45,-20.08,;-1.78,-19.31,;-3.11,-20.08,;2.21,-16.98,;2.19,-15.44,;3.52,-14.67,;3.52,-13.13,;4.86,-15.43,;6.18,-14.67,;6.17,-13.13,;7.51,-15.42,;7.52,-16.96,;8.86,-17.73,;6.19,-17.73,;4.86,-16.97,;3.54,-17.75,)| Show InChI InChI=1S/C30H18O10/c31-15-4-1-13(2-5-15)30-26(29(38)28-21(36)9-17(33)11-25(28)40-30)18-7-14(3-6-19(18)34)23-12-22(37)27-20(35)8-16(32)10-24(27)39-23/h1-12,31-36H | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Catholic University of Daegu
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PTP1B using p-NPP as substrate preincubated for 10 mins followed by substrate addition measured after 20 mins by micr... |
Bioorg Med Chem 23: 3730-7 (2015)
Article DOI: 10.1016/j.bmc.2015.04.007
BindingDB Entry DOI: 10.7270/Q25T3N81 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50323212
(6-[5-(5,7-Dihydroxy-4-oxo-4H-chromen-2-yl)-2-hydro...)Show SMILES Oc1ccc(cc1)-c1cc(=O)c2c(O)c(c(O)cc2o1)-c1cc(ccc1O)-c1cc(O)c2c(cc(O)cc2=O)o1 |(14.56,-27.41,;13.23,-26.63,;11.89,-27.39,;10.56,-26.61,;10.57,-25.07,;11.9,-24.31,;13.23,-25.08,;9.25,-24.3,;7.91,-25.06,;6.59,-24.28,;5.25,-25.04,;6.6,-22.75,;5.27,-21.99,;3.93,-22.76,;5.28,-20.46,;6.6,-19.69,;6.6,-18.15,;7.93,-20.45,;7.93,-21.99,;9.26,-22.76,;3.95,-19.69,;2.61,-20.46,;1.28,-19.68,;1.28,-18.14,;2.61,-17.37,;3.95,-18.15,;5.29,-17.38,;-.06,-20.44,;-.06,-22,;-1.41,-22.77,;-1.41,-24.31,;-2.75,-21.99,;-2.75,-20.44,;-4.08,-19.67,;-5.41,-20.45,;-6.75,-19.67,;-5.42,-21.99,;-4.08,-22.76,;-4.08,-24.3,;-1.41,-19.66,)| Show InChI InChI=1S/C30H18O10/c31-15-4-1-13(2-5-15)23-11-22(37)29-26(39-23)12-20(35)27(30(29)38)17-7-14(3-6-18(17)33)24-10-21(36)28-19(34)8-16(32)9-25(28)40-24/h1-12,31-33,35-36,38H | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 6.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Catholic University of Daegu
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PTP1B using p-NPP as substrate preincubated for 10 mins followed by substrate addition measured after 20 mins by micr... |
Bioorg Med Chem 23: 3730-7 (2015)
Article DOI: 10.1016/j.bmc.2015.04.007
BindingDB Entry DOI: 10.7270/Q25T3N81 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50129952
(2-(3-(5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-c...)Show SMILES Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)c(-c3cc(ccc3O)-c3cc(O)c4c(cc(O)cc4=O)o3)c2o1 |(13.25,-26.01,;14.59,-25.24,;14.59,-23.7,;15.92,-22.93,;17.26,-23.7,;17.26,-25.24,;15.93,-26.01,;18.58,-22.93,;19.91,-23.69,;21.23,-22.92,;22.57,-23.69,;21.22,-21.4,;22.56,-20.64,;23.88,-21.41,;22.55,-19.1,;21.22,-18.33,;21.22,-16.79,;19.9,-19.11,;18.57,-18.34,;17.23,-19.1,;15.9,-18.33,;15.9,-16.79,;17.23,-16.02,;18.57,-16.79,;19.91,-16.02,;14.57,-19.09,;14.56,-20.65,;13.21,-21.42,;13.21,-22.96,;11.87,-20.64,;11.88,-19.08,;10.54,-18.32,;9.21,-19.09,;7.87,-18.32,;9.21,-20.64,;10.54,-21.41,;10.54,-22.95,;13.22,-18.3,;19.9,-20.64,;18.58,-21.4,)| Show InChI InChI=1S/C30H18O10/c31-15-4-1-13(2-5-15)24-12-23(38)29-21(36)10-20(35)27(30(29)40-24)17-7-14(3-6-18(17)33)25-11-22(37)28-19(34)8-16(32)9-26(28)39-25/h1-12,31-33,35-37H | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 7.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Catholic University of Daegu
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PTP1B using p-NPP as substrate preincubated for 10 mins followed by substrate addition measured after 20 mins by micr... |
Bioorg Med Chem 23: 3730-7 (2015)
Article DOI: 10.1016/j.bmc.2015.04.007
BindingDB Entry DOI: 10.7270/Q25T3N81 |
More data for this
Ligand-Target Pair | |
Isocitrate lyase
(Candida albicans) | BDBM50329695
(Bis(3-bromo-4,5-dihydroxyphenyl)methanone | CHEMBL...)Show InChI InChI=1S/C13H8Br2O5/c14-7-1-5(3-9(16)12(7)19)11(18)6-2-8(15)13(20)10(17)4-6/h1-4,16-17,19-20H | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.89E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Inhibition of Candida albicans ATCC 10231 isocitrate lyase |
Bioorg Med Chem Lett 20: 6644-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.015
BindingDB Entry DOI: 10.7270/Q22V2GBW |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50323213
(CHEMBL1208973 | cupressuflavone)Show SMILES Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)c(-c3c(O)cc(O)c4c3oc(cc4=O)-c3ccc(O)cc3)c2o1 |(5.18,-39.53,;3.84,-40.3,;3.85,-41.86,;2.51,-42.63,;1.18,-41.86,;1.18,-40.31,;2.51,-39.54,;-.15,-42.62,;-.15,-44.15,;-1.48,-44.92,;-1.48,-46.46,;-2.8,-44.15,;-4.14,-44.93,;-4.14,-46.48,;-5.47,-44.16,;-5.47,-42.62,;-6.8,-41.84,;-4.13,-41.86,;-4.13,-35.97,;-5.46,-35.2,;-6.8,-35.97,;-5.46,-33.67,;-4.13,-32.9,;-4.13,-31.36,;-2.8,-33.65,;-2.79,-35.2,;-1.45,-35.97,;-.11,-35.19,;-.12,-33.64,;-1.46,-32.87,;-1.46,-31.33,;1.21,-35.96,;1.22,-37.5,;2.55,-38.27,;3.88,-37.5,;5.22,-38.27,;3.88,-35.96,;2.55,-35.19,;-2.8,-42.62,;-1.48,-41.85,)| Show InChI InChI=1S/C30H18O10/c31-15-5-1-13(2-6-15)23-11-21(37)25-17(33)9-19(35)27(29(25)39-23)28-20(36)10-18(34)26-22(38)12-24(40-30(26)28)14-3-7-16(32)8-4-14/h1-12,31-36H | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Catholic University of Daegu
Curated by ChEMBL
| Assay Description
Competitive inhibition of human recombinant PTP1B using p-NPP as substrate preincubated for 10 mins followed by substrate addition measured after 20 ... |
Bioorg Med Chem 23: 3730-7 (2015)
Article DOI: 10.1016/j.bmc.2015.04.007
BindingDB Entry DOI: 10.7270/Q25T3N81 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50093524
(CHEMBL3585680)Show SMILES Oc1ccc(cc1)-c1cc(=O)c2ccc(O)c(-c3cc([C@@H]4CC(=O)c5c(O)cc(O)cc5O4)c(O)cc3O)c2o1 |r,wD:20.20,(1.56,-5.97,;2.63,-5.36,;3.96,-6.14,;5.3,-5.38,;5.31,-3.84,;3.98,-3.06,;2.64,-3.82,;6.65,-3.07,;7.97,-3.85,;9.31,-3.09,;10.37,-3.71,;9.32,-1.55,;10.65,-.79,;10.67,.76,;9.34,1.54,;9.34,2.77,;8,.76,;6.66,1.53,;5.33,.77,;4,1.54,;2.66,.77,;2.66,-.77,;1.33,-1.54,;1.33,-2.77,;,-.77,;-1.33,-1.54,;-1.33,-2.77,;-2.68,-.77,;-2.68,.77,;-3.75,1.39,;-1.33,1.54,;,.77,;1.33,1.54,;4,3.08,;2.93,3.7,;5.33,3.85,;6.67,3.07,;7.73,3.69,;7.99,-.78,;6.65,-1.54,)| Show InChI InChI=1S/C30H20O10/c31-14-3-1-13(2-4-14)25-11-22(36)16-5-6-19(33)28(30(16)40-25)18-9-17(20(34)10-21(18)35)26-12-24(38)29-23(37)7-15(32)8-27(29)39-26/h1-11,26,31-35,37H,12H2/t26-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Catholic University of Daegu
Curated by ChEMBL
| Assay Description
Uncompetitive inhibition of human recombinant PTP1B using p-NPP as substrate preincubated for 10 mins followed by substrate addition measured after 2... |
Bioorg Med Chem 23: 3730-7 (2015)
Article DOI: 10.1016/j.bmc.2015.04.007
BindingDB Entry DOI: 10.7270/Q25T3N81 |
More data for this
Ligand-Target Pair | |
Isocitrate lyase
(Candida albicans) | BDBM50329693
(Bis(2,3-dibromo-4,5-dihydroxyphenyl)ether | CHEMBL...)Show InChI InChI=1S/C12H6Br4O5/c13-7-5(1-3(17)11(19)9(7)15)21-6-2-4(18)12(20)10(16)8(6)14/h1-2,17-20H | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.16E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Inhibition of Candida albicans ATCC 10231 isocitrate lyase |
Bioorg Med Chem Lett 20: 6644-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.015
BindingDB Entry DOI: 10.7270/Q22V2GBW |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50093523
(CHEMBL3585679 | PTP1B spring 6 (6))Show SMILES OCc1ccc(-c2ccc(O)cc2)c(C(O)=O)c1C#Cc1ccc(O)cc1 Show InChI InChI=1S/C22H16O5/c23-13-16-6-12-19(15-4-9-18(25)10-5-15)21(22(26)27)20(16)11-3-14-1-7-17(24)8-2-14/h1-2,4-10,12,23-25H,13H2,(H,26,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.32E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Catholic University of Daegu
Curated by ChEMBL
| Assay Description
Mixed-competitive inhibition of human recombinant PTP1B using p-NPP as substrate preincubated for 10 mins followed by substrate addition measured aft... |
Bioorg Med Chem 23: 3730-7 (2015)
Article DOI: 10.1016/j.bmc.2015.04.007
BindingDB Entry DOI: 10.7270/Q25T3N81 |
More data for this
Ligand-Target Pair | |
Isocitrate lyase
(Candida albicans) | BDBM50329699
(2,2',3-Tribromo-4,4',5,5'-tetrahydroxybibenzyl | C...)Show InChI InChI=1S/C14H11Br3O4/c15-8-5-10(19)9(18)3-6(8)1-2-7-4-11(20)14(21)13(17)12(7)16/h3-5,18-21H,1-2H2 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.48E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Inhibition of Candida albicans ATCC 10231 isocitrate lyase |
Bioorg Med Chem Lett 20: 6644-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.015
BindingDB Entry DOI: 10.7270/Q22V2GBW |
More data for this
Ligand-Target Pair | |
Isocitrate lyase
(Candida albicans) | BDBM50329700
((2-Bromo-4,5-dihydroxybenzyl)(2,3-dibromo-4,5-dihy...)Show InChI InChI=1S/C14H11Br3O5/c15-8-3-10(19)9(18)1-6(8)4-22-5-7-2-11(20)14(21)13(17)12(7)16/h1-3,18-21H,4-5H2 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.56E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Inhibition of Candida albicans ATCC 10231 isocitrate lyase |
Bioorg Med Chem Lett 20: 6644-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.015
BindingDB Entry DOI: 10.7270/Q22V2GBW |
More data for this
Ligand-Target Pair | |
Isocitrate lyase
(Candida albicans) | BDBM50329688
(2,2',3,3'-tetrabromo-4,4',5,5'-tetrahydroxydipheny...)Show InChI InChI=1S/C13H8Br4O4/c14-8-4(2-6(18)12(20)10(8)16)1-5-3-7(19)13(21)11(17)9(5)15/h2-3,18-21H,1H2 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.84E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Inhibition of Candida albicans ATCC 10231 isocitrate lyase |
Bioorg Med Chem Lett 20: 6644-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.015
BindingDB Entry DOI: 10.7270/Q22V2GBW |
More data for this
Ligand-Target Pair | |
Isocitrate lyase
(Candida albicans) | BDBM50329698
(2,2'-Dibromo-4,4',5,5'-tetrahydroxybibenzyl | CHEM...)Show InChI InChI=1S/C14H12Br2O4/c15-9-5-13(19)11(17)3-7(9)1-2-8-4-12(18)14(20)6-10(8)16/h3-6,17-20H,1-2H2 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.12E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Inhibition of Candida albicans ATCC 10231 isocitrate lyase |
Bioorg Med Chem Lett 20: 6644-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.015
BindingDB Entry DOI: 10.7270/Q22V2GBW |
More data for this
Ligand-Target Pair | |
Isocitrate lyase
(Candida albicans) | BDBM50329694
(Bis(3,4-dihydroxyphenyl)methanone | CHEMBL1269420 ...)Show InChI InChI=1S/C13H10O5/c14-9-3-1-7(5-11(9)16)13(18)8-2-4-10(15)12(17)6-8/h1-6,14-17H | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.26E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Inhibition of Candida albicans ATCC 10231 isocitrate lyase |
Bioorg Med Chem Lett 20: 6644-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.015
BindingDB Entry DOI: 10.7270/Q22V2GBW |
More data for this
Ligand-Target Pair | |
Sortase family protein
(Staphylococcus aureus) | BDBM50331609
(6-methoxy-1-phenyl-4,9-dihydro-3H-pyrido[3,4-b]ind...)Show InChI InChI=1S/C18H16N2O/c1-21-13-7-8-16-15(11-13)14-9-10-19-17(18(14)20-16)12-5-3-2-4-6-12/h2-8,11,20H,9-10H2,1H3 | PDB
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| n/a | n/a | 2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute
Curated by ChEMBL
| Assay Description
Inhibition of Staphylococcus aureus Sortase A |
Bioorg Med Chem Lett 20: 6882-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.10.029
BindingDB Entry DOI: 10.7270/Q2M61KGZ |
More data for this
Ligand-Target Pair | |
Isocitrate lyase
(Candida albicans) | BDBM50329701
(CHEMBL491516 | bis(2, 3-dibromo-4,5-dihydroxybenzy...)Show SMILES Oc1cc(COCc2cc(O)c(O)c(Br)c2Br)c(Br)c(Br)c1O Show InChI InChI=1S/C14H10Br4O5/c15-9-5(1-7(19)13(21)11(9)17)3-23-4-6-2-8(20)14(22)12(18)10(6)16/h1-2,19-22H,3-4H2 | PDB
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| n/a | n/a | 2.81E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Inhibition of Candida albicans ATCC 10231 isocitrate lyase |
Bioorg Med Chem Lett 20: 6644-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.015
BindingDB Entry DOI: 10.7270/Q22V2GBW |
More data for this
Ligand-Target Pair | |
Isocitrate lyase
(Candida albicans) | BDBM50329692
(Bis(2-bromo-4,5-dihydroxyphenyl)ether | CHEMBL1269...)Show InChI InChI=1S/C12H8Br2O5/c13-5-1-7(15)9(17)3-11(5)19-12-4-10(18)8(16)2-6(12)14/h1-4,15-18H | PDB
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| n/a | n/a | 3.09E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Inhibition of Candida albicans ATCC 10231 isocitrate lyase |
Bioorg Med Chem Lett 20: 6644-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.015
BindingDB Entry DOI: 10.7270/Q22V2GBW |
More data for this
Ligand-Target Pair | |
Isocitrate lyase
(Candida albicans) | BDBM50329689
(2,2'-dibromo-4,4',5,5'-tetrahydroxydiphenylmethane...)Show InChI InChI=1S/C13H10Br2O4/c14-8-4-12(18)10(16)2-6(8)1-7-3-11(17)13(19)5-9(7)15/h2-5,16-19H,1H2 | PDB
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| n/a | n/a | 4.62E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Inhibition of Candida albicans ATCC 10231 isocitrate lyase |
Bioorg Med Chem Lett 20: 6644-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.015
BindingDB Entry DOI: 10.7270/Q22V2GBW |
More data for this
Ligand-Target Pair | |
Isocitrate lyase
(Candida albicans) | BDBM50274515
(3-nitropropanoic acid | 3-nitropropionic acid | Bo...)Show InChI InChI=1S/C3H5NO4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)/p-1 | PDB
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| n/a | n/a | 5.07E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Inhibition of Candida albicans ATCC 10231 isocitrate lyase |
Bioorg Med Chem Lett 20: 6644-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.015
BindingDB Entry DOI: 10.7270/Q22V2GBW |
More data for this
Ligand-Target Pair | |
Isocitrate lyase
(Candida albicans) | BDBM50274515
(3-nitropropanoic acid | 3-nitropropionic acid | Bo...)Show InChI InChI=1S/C3H5NO4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)/p-1 | PDB
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| n/a | n/a | 5.07E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute
Curated by ChEMBL
| Assay Description
Inhibition of Candida albicans isocitrate lyase |
Bioorg Med Chem Lett 19: 1051-3 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.017
BindingDB Entry DOI: 10.7270/Q2CC11MP |
More data for this
Ligand-Target Pair | |
Isocitrate lyase
(Candida albicans) | BDBM50274515
(3-nitropropanoic acid | 3-nitropropionic acid | Bo...)Show InChI InChI=1S/C3H5NO4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)/p-1 | PDB
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| n/a | n/a | 5.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute
Curated by ChEMBL
| Assay Description
Inhibition of Candida albicans isocitrate lyase |
Bioorg Med Chem Lett 20: 6882-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.10.029
BindingDB Entry DOI: 10.7270/Q2M61KGZ |
More data for this
Ligand-Target Pair | |
Isocitrate lyase
(Candida albicans) | BDBM50329697
(4,4'-(ethane-1,2-diyl)dibenzene-1,2-diol | CHEMBL1...)Show InChI InChI=1S/C14H14O4/c15-11-5-3-9(7-13(11)17)1-2-10-4-6-12(16)14(18)8-10/h3-8,15-18H,1-2H2 | PDB
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| n/a | n/a | 5.85E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Inhibition of Candida albicans ATCC 10231 isocitrate lyase |
Bioorg Med Chem Lett 20: 6644-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.015
BindingDB Entry DOI: 10.7270/Q22V2GBW |
More data for this
Ligand-Target Pair | |
Sortase family protein
(Staphylococcus aureus) | BDBM50331604
(2-(2-methyl-1H-indol-3-yl)-2-oxo-N-phenylacetamide...)Show InChI InChI=1S/C17H14N2O2/c1-11-15(13-9-5-6-10-14(13)18-11)16(20)17(21)19-12-7-3-2-4-8-12/h2-10,18H,1H3,(H,19,21) | PDB
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| n/a | n/a | 6.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute
Curated by ChEMBL
| Assay Description
Inhibition of Staphylococcus aureus Sortase A |
Bioorg Med Chem Lett 20: 6882-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.10.029
BindingDB Entry DOI: 10.7270/Q2M61KGZ |
More data for this
Ligand-Target Pair | |
Isocitrate lyase
(Candida albicans) | BDBM50329691
((2-Bromo-4,5-dihydroxyphenyl)(3,4-dihydroxyphenyl)...)Show InChI InChI=1S/C12H9BrO5/c13-7-4-10(16)11(17)5-12(7)18-6-1-2-8(14)9(15)3-6/h1-5,14-17H | PDB
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| n/a | n/a | 6.82E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Inhibition of Candida albicans ATCC 10231 isocitrate lyase |
Bioorg Med Chem Lett 20: 6644-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.015
BindingDB Entry DOI: 10.7270/Q22V2GBW |
More data for this
Ligand-Target Pair | |
Sortase family protein
(Staphylococcus aureus) | BDBM50102183
((1H-Indol-3-yl)-oxo-acetic acid | CHEMBL57285 | in...)Show InChI InChI=1S/C10H7NO3/c12-9(10(13)14)7-5-11-8-4-2-1-3-6(7)8/h1-5,11H,(H,13,14) | PDB
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| n/a | n/a | 6.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute
Curated by ChEMBL
| Assay Description
Inhibition of Staphylococcus aureus Sortase A |
Bioorg Med Chem Lett 20: 6882-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.10.029
BindingDB Entry DOI: 10.7270/Q2M61KGZ |
More data for this
Ligand-Target Pair | |
Isocitrate lyase
(Candida albicans) | BDBM50206193
(1-(3-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3...)Show InChI InChI=1S/C18H18N2O/c1-21-13-6-4-5-12(11-13)17-18-15(9-10-19-17)14-7-2-3-8-16(14)20-18/h2-8,11,17,19-20H,9-10H2,1H3 | PDB
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| n/a | n/a | 7.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute
Curated by ChEMBL
| Assay Description
Inhibition of Candida albicans isocitrate lyase |
Bioorg Med Chem Lett 20: 6882-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.10.029
BindingDB Entry DOI: 10.7270/Q2M61KGZ |
More data for this
Ligand-Target Pair | |
Isocitrate lyase
(Candida albicans) | BDBM50276442
(CHEMBL459354 | hyrtiosin B)Show SMILES Oc1ccc2[nH]cc(C(=O)C(=O)c3c[nH]c4ccc(O)cc34)c2c1 Show InChI InChI=1S/C18H12N2O4/c21-9-1-3-15-11(5-9)13(7-19-15)17(23)18(24)14-8-20-16-4-2-10(22)6-12(14)16/h1-8,19-22H | PDB
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| n/a | n/a | 8.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute
Curated by ChEMBL
| Assay Description
Inhibition of Candida albicans isocitrate lyase |
Bioorg Med Chem Lett 20: 6882-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.10.029
BindingDB Entry DOI: 10.7270/Q2M61KGZ |
More data for this
Ligand-Target Pair | |
Isocitrate lyase
(Candida albicans) | BDBM50276442
(CHEMBL459354 | hyrtiosin B)Show SMILES Oc1ccc2[nH]cc(C(=O)C(=O)c3c[nH]c4ccc(O)cc34)c2c1 Show InChI InChI=1S/C18H12N2O4/c21-9-1-3-15-11(5-9)13(7-19-15)17(23)18(24)14-8-20-16-4-2-10(22)6-12(14)16/h1-8,19-22H | PDB
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| n/a | n/a | 8.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute
Curated by ChEMBL
| Assay Description
Inhibition of Candida albicans isocitrate lyase |
Bioorg Med Chem Lett 19: 1051-3 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.017
BindingDB Entry DOI: 10.7270/Q2CC11MP |
More data for this
Ligand-Target Pair | |
Sortase family protein
(Staphylococcus aureus) | BDBM50331608
(1-phenyl-4,9-dihydro-3H-pyrido[3,4-b]indole | CHEM...)Show InChI InChI=1S/C17H14N2/c1-2-6-12(7-3-1)16-17-14(10-11-18-16)13-8-4-5-9-15(13)19-17/h1-9,19H,10-11H2 | PDB
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| n/a | n/a | 9.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute
Curated by ChEMBL
| Assay Description
Inhibition of Staphylococcus aureus Sortase A |
Bioorg Med Chem Lett 20: 6882-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.10.029
BindingDB Entry DOI: 10.7270/Q2M61KGZ |
More data for this
Ligand-Target Pair | |
Isocitrate lyase
(Candida albicans) | BDBM50329690
(4,4'-oxydibenzene-1,2-diol | CHEMBL1269392)Show InChI InChI=1S/C12H10O5/c13-9-3-1-7(5-11(9)15)17-8-2-4-10(14)12(16)6-8/h1-6,13-16H | PDB
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| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Inhibition of Candida albicans ATCC 10231 isocitrate lyase |
Bioorg Med Chem Lett 20: 6644-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.015
BindingDB Entry DOI: 10.7270/Q22V2GBW |
More data for this
Ligand-Target Pair | |
Sortase family protein
(Staphylococcus aureus) | BDBM50331606
(1-phenyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-...)Show InChI InChI=1S/C17H16N2O/c20-12-6-7-15-14(10-12)13-8-9-18-16(17(13)19-15)11-4-2-1-3-5-11/h1-7,10,16,18-20H,8-9H2 | PDB
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| n/a | n/a | 1.06E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute
Curated by ChEMBL
| Assay Description
Inhibition of Staphylococcus aureus Sortase A |
Bioorg Med Chem Lett 20: 6882-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.10.029
BindingDB Entry DOI: 10.7270/Q2M61KGZ |
More data for this
Ligand-Target Pair | |
Sortase family protein
(Staphylococcus aureus) | BDBM50331607
(6-methoxy-1-phenyl-2,3,4,9-tetrahydro-1H-pyrido[3,...)Show InChI InChI=1S/C18H18N2O/c1-21-13-7-8-16-15(11-13)14-9-10-19-17(18(14)20-16)12-5-3-2-4-6-12/h2-8,11,17,19-20H,9-10H2,1H3 | PDB
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| n/a | n/a | 1.15E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute
Curated by ChEMBL
| Assay Description
Inhibition of Staphylococcus aureus Sortase A |
Bioorg Med Chem Lett 20: 6882-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.10.029
BindingDB Entry DOI: 10.7270/Q2M61KGZ |
More data for this
Ligand-Target Pair | |
Sortase family protein
(Staphylococcus aureus) | BDBM50331605
(2-(2-methyl-1H-indol-3-yl)-2-oxoacetic acid | CHEM...)Show InChI InChI=1S/C11H9NO3/c1-6-9(10(13)11(14)15)7-4-2-3-5-8(7)12-6/h2-5,12H,1H3,(H,14,15) | PDB
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| n/a | n/a | 1.33E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute
Curated by ChEMBL
| Assay Description
Inhibition of Staphylococcus aureus Sortase A |
Bioorg Med Chem Lett 20: 6882-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.10.029
BindingDB Entry DOI: 10.7270/Q2M61KGZ |
More data for this
Ligand-Target Pair | |
Isocitrate lyase
(Candida albicans) | BDBM50331610
(1-(naphthalen-2-yl)-2,3,4,9-tetrahydro-1H-pyrido[3...)Show InChI InChI=1S/C21H18N2/c1-2-6-15-13-16(10-9-14(15)5-1)20-21-18(11-12-22-20)17-7-3-4-8-19(17)23-21/h1-10,13,20,22-23H,11-12H2 | PDB
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| n/a | n/a | 1.37E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute
Curated by ChEMBL
| Assay Description
Inhibition of Candida albicans isocitrate lyase |
Bioorg Med Chem Lett 20: 6882-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.10.029
BindingDB Entry DOI: 10.7270/Q2M61KGZ |
More data for this
Ligand-Target Pair | |
Sortase family protein
(Staphylococcus aureus) | BDBM50331603
(2-(1H-Indol-3-yl)-2-oxo-N-phenyl-acetamide | 2-(1H...)Show InChI InChI=1S/C16H12N2O2/c19-15(16(20)18-11-6-2-1-3-7-11)13-10-17-14-9-5-4-8-12(13)14/h1-10,17H,(H,18,20) | PDB
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| n/a | n/a | 1.74E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute
Curated by ChEMBL
| Assay Description
Inhibition of Staphylococcus aureus Sortase A |
Bioorg Med Chem Lett 20: 6882-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.10.029
BindingDB Entry DOI: 10.7270/Q2M61KGZ |
More data for this
Ligand-Target Pair | |
Isocitrate lyase
(Candida albicans) | BDBM50331611
(1-(4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3...)Show InChI InChI=1S/C18H18N2O/c1-21-13-8-6-12(7-9-13)17-18-15(10-11-19-17)14-4-2-3-5-16(14)20-18/h2-9,17,19-20H,10-11H2,1H3 | PDB
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| n/a | n/a | 1.80E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute
Curated by ChEMBL
| Assay Description
Inhibition of Candida albicans isocitrate lyase |
Bioorg Med Chem Lett 20: 6882-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.10.029
BindingDB Entry DOI: 10.7270/Q2M61KGZ |
More data for this
Ligand-Target Pair | |
Isocitrate lyase
(Candida albicans) | BDBM50276441
(5-hydroxyindole-3-carbaldehyde | CHEMBL506465)Show InChI InChI=1S/C9H7NO2/c11-5-6-4-10-9-2-1-7(12)3-8(6)9/h1-5,10,12H | PDB
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| n/a | n/a | 2.47E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute
Curated by ChEMBL
| Assay Description
Inhibition of Candida albicans isocitrate lyase |
Bioorg Med Chem Lett 20: 6882-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.10.029
BindingDB Entry DOI: 10.7270/Q2M61KGZ |
More data for this
Ligand-Target Pair | |
Isocitrate lyase
(Candida albicans) | BDBM50276441
(5-hydroxyindole-3-carbaldehyde | CHEMBL506465)Show InChI InChI=1S/C9H7NO2/c11-5-6-4-10-9-2-1-7(12)3-8(6)9/h1-5,10,12H | PDB
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| n/a | n/a | 2.47E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute
Curated by ChEMBL
| Assay Description
Inhibition of Candida albicans isocitrate lyase |
Bioorg Med Chem Lett 19: 1051-3 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.017
BindingDB Entry DOI: 10.7270/Q2CC11MP |
More data for this
Ligand-Target Pair | |
Sortase family protein
(Staphylococcus aureus) | BDBM50276408
(1-carboxy-6-hydroxy-3,4-dihydro-beta-carboline | C...)Show InChI InChI=1S/C12H10N2O3/c15-6-1-2-9-8(5-6)7-3-4-13-11(12(16)17)10(7)14-9/h1-2,5,14-15H,3-4H2,(H,16,17) | PDB
MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.90E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute
Curated by ChEMBL
| Assay Description
Inhibition of Staphylococcus aureus Sortase A |
Bioorg Med Chem Lett 20: 6882-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.10.029
BindingDB Entry DOI: 10.7270/Q2M61KGZ |
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Ligand-Target Pair | |
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