BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 419 hits with Last Name = 'jeong' and Initial = 'hj'   
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
Replicase polyprotein 1ab


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM50259983
PNG
(CHEMBL508791 | US10106521, Compound Dieckol | diec...)
Show SMILES Oc1cc(O)cc(Oc2c(O)cc(O)c3Oc4cc(Oc5c(O)cc(Oc6c(O)cc(O)c7Oc8cc(O)cc(O)c8Oc67)cc5O)cc(O)c4Oc23)c1
Show InChI InChI=1S/C36H22O18/c37-12-1-13(38)3-15(2-12)49-31-22(44)10-25(47)34-35(31)54-30-21(43)8-17(9-27(30)52-34)48-28-19(41)6-16(7-20(28)42)50-32-23(45)11-24(46)33-36(32)53-29-18(40)4-14(39)5-26(29)51-33/h1-11,37-47H
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.40E+3n/an/an/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Competitive inhibition of C-terminal His6-tagged recombinant SARS coronavirus 3C-like protease trans-cleavage activity expressed in Escherichia coli ...


Bioorg Med Chem 21: 3730-7 (2013)


Article DOI: 10.1016/j.bmc.2013.04.026
BindingDB Entry DOI: 10.7270/Q24J0J2W
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM50259982
PNG
(CHEMBL471187 | US10106521, Compound Eckol | eckol)
Show SMILES Oc1cc(O)cc(Oc2c(O)cc(O)c3Oc4cc(O)cc(O)c4Oc23)c1
Show InChI InChI=1S/C18H12O9/c19-7-1-8(20)3-10(2-7)25-16-12(23)6-13(24)17-18(16)27-15-11(22)4-9(21)5-14(15)26-17/h1-6,19-24H
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Similars

Article
PubMed
8.20E+3n/an/an/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Competitive inhibition of C-terminal His6-tagged recombinant SARS coronavirus 3C-like protease trans-cleavage activity expressed in Escherichia coli ...


Bioorg Med Chem 21: 3730-7 (2013)


Article DOI: 10.1016/j.bmc.2013.04.026
BindingDB Entry DOI: 10.7270/Q24J0J2W
More data for this
Ligand-Target Pair
Replicase polyprotein 1a


(Human SARS coronavirus (SARS-CoV))
BDBM53072
PNG
((5Z)-3-allyl-5-(3-ethyl-1,3-benzothiazol-2-ylidene...)
Show SMILES CCN1\C(Sc2ccccc12)=C1\SC(=S)N(CC=C)C1=O
Show InChI InChI=1S/C15H14N2OS3/c1-3-9-17-13(18)12(21-15(17)19)14-16(4-2)10-7-5-6-8-11(10)20-14/h3,5-8H,1,4,9H2,2H3/b14-12-
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

Article
PubMed
9.00E+3n/an/an/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Time dependent inhibition of SARS-CoV PLpro expressed in Escherichia coli BL21 (DE3) using Arg-Leu-Arg-Gly-Gly-AMC as substrate at 3 to 100 uM up to ...


Bioorg Med Chem 20: 5928-35 (2012)


Article DOI: 10.1016/j.bmc.2012.07.038
BindingDB Entry DOI: 10.7270/Q2QF8TZ4
More data for this
Ligand-Target Pair
Replicase polyprotein 1a


(Human SARS coronavirus (SARS-CoV))
BDBM50391431
PNG
(CHEMBL2146517 | acs.jmedchem.1c00409_ST.502)
Show SMILES COC(=O)[C@@]1(C)CCCc2c1ccc1-c3occ(C)c3C(=O)C(=O)c21 |r|
Show InChI InChI=1S/C20H18O5/c1-10-9-25-18-12-6-7-13-11(15(12)17(22)16(21)14(10)18)5-4-8-20(13,2)19(23)24-3/h6-7,9H,4-5,8H2,1-3H3/t20-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Similars

Article
PubMed
9.70E+3n/an/an/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Time dependent inhibition of SARS-CoV PLpro expressed in Escherichia coli BL21 (DE3) using Arg-Leu-Arg-Gly-Gly-AMC as substrate at 3 to 100 uM up to ...


Bioorg Med Chem 20: 5928-35 (2012)


Article DOI: 10.1016/j.bmc.2012.07.038
BindingDB Entry DOI: 10.7270/Q2QF8TZ4
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM50276756
PNG
(4,9-bis(3,5-dihydroxyphenoxy)benzofuro[3,2-a]diben...)
Show SMILES Oc1cc(O)cc(Oc2c(O)cc(O)c3Oc4c(Oc23)c(O)cc2oc3c(Oc5cc(O)cc(O)c5)c(O)cc(O)c3c42)c1
Show InChI InChI=1S/C30H18O14/c31-10-1-11(32)4-14(3-10)40-24-17(36)7-16(35)22-23-21(42-28(22)24)9-20(39)25-29(23)43-27-19(38)8-18(37)26(30(27)44-25)41-15-5-12(33)2-13(34)6-15/h1-9,31-39H
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.06E+4n/an/an/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Competitive inhibition of C-terminal His6-tagged recombinant SARS coronavirus 3C-like protease trans-cleavage activity expressed in Escherichia coli ...


Bioorg Med Chem 21: 3730-7 (2013)


Article DOI: 10.1016/j.bmc.2013.04.026
BindingDB Entry DOI: 10.7270/Q24J0J2W
More data for this
Ligand-Target Pair
Replicase polyprotein 1a


(Human SARS coronavirus (SARS-CoV))
BDBM50423877
PNG
(DIHYDROTANSHINONE | Dihydrotanshinone I | acs.jmed...)
Show SMILES C[C@H]1COC2=C1C(=O)C(=O)c1c2ccc2c(C)cccc12 |r,c:4|
Show InChI InChI=1S/C18H14O3/c1-9-4-3-5-12-11(9)6-7-13-15(12)17(20)16(19)14-10(2)8-21-18(13)14/h3-7,10H,8H2,1-2H3/t10-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
1.12E+4n/an/an/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Time dependent inhibition of SARS-CoV PLpro expressed in Escherichia coli BL21 (DE3) using Arg-Leu-Arg-Gly-Gly-AMC as substrate at 3 to 100 uM up to ...


Bioorg Med Chem 20: 5928-35 (2012)


Article DOI: 10.1016/j.bmc.2012.07.038
BindingDB Entry DOI: 10.7270/Q2QF8TZ4
More data for this
Ligand-Target Pair
Replicase polyprotein 1a


(Human SARS coronavirus (SARS-CoV))
BDBM83922
PNG
(1,6,6-trimethyl-8,9-dihydro-7H-naphtho[1,2-g][1]be...)
Show SMILES Cc1coc-2c1C(=O)C(=O)c1c3CCCC(C)(C)c3ccc-21
Show InChI InChI=1S/C19H18O3/c1-10-9-22-18-12-6-7-13-11(5-4-8-19(13,2)3)15(12)17(21)16(20)14(10)18/h6-7,9H,4-5,8H2,1-3H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.12E+4n/an/an/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Time dependent inhibition of SARS-CoV PLpro expressed in Escherichia coli BL21 (DE3) using Arg-Leu-Arg-Gly-Gly-AMC as substrate at 3 to 100 uM up to ...


Bioorg Med Chem 20: 5928-35 (2012)


Article DOI: 10.1016/j.bmc.2012.07.038
BindingDB Entry DOI: 10.7270/Q2QF8TZ4
More data for this
Ligand-Target Pair
Replicase polyprotein 1a


(Human SARS coronavirus (SARS-CoV))
BDBM51317
PNG
(1,6-dimethylnaphtho[1,2-g][1]benzofuran-10,11-dion...)
Show SMILES Cc1coc-2c1C(=O)C(=O)c1c-2ccc2c(C)cccc12
Show InChI InChI=1S/C18H12O3/c1-9-4-3-5-12-11(9)6-7-13-15(12)17(20)16(19)14-10(2)8-21-18(13)14/h3-8H,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
1.37E+4n/an/an/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Time dependent inhibition of SARS-CoV PLpro expressed in Escherichia coli BL21 (DE3) using Arg-Leu-Arg-Gly-Gly-AMC as substrate at 3 to 100 uM up to ...


Bioorg Med Chem 20: 5928-35 (2012)


Article DOI: 10.1016/j.bmc.2012.07.038
BindingDB Entry DOI: 10.7270/Q2QF8TZ4
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM50129952
PNG
(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

KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
1.38E+4n/an/an/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Non-competitive inhibition of SARS coronavirus 3C-like protease by Dixon plot analysis


Bioorg Med Chem 18: 7940-7 (2010)


Article DOI: 10.1016/j.bmc.2010.09.035
BindingDB Entry DOI: 10.7270/Q2MG7SBP
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/Brevig Mission/1/1918 ...)
BDBM50352810
PNG
(CHEMBL1711961)
Show SMILES COc1ccc(C(=O)\C=C\c2ccc(O)cc2)c(O)c1CC(O)C(C)=C
Show InChI InChI=1S/C21H22O5/c1-13(2)19(24)12-17-20(26-3)11-9-16(21(17)25)18(23)10-6-14-4-7-15(22)8-5-14/h4-11,19,22,24-25H,1,12H2,2-3H3/b10-6+
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

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



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Noncompetitive inhibition of Influenza A virus (A/Brevig Mission/1/1918(H1N1)) recombinant neuraminidase using 4-methylumbelliferyl-alpha-D-N-acetyln...


Bioorg Med Chem Lett 21: 5602-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.130
BindingDB Entry DOI: 10.7270/Q2571CDW
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM50276826
PNG
((1-(3',5'-dihydroxyphenoxy)-7-(2'',4'',6-trihydro-...)
Show SMILES Oc1cc(O)c(Oc2cc(O)c3Oc4c(Oc5cc(O)cc(O)c5)c(O)cc(O)c4Oc3c2)c(O)c1
Show InChI InChI=1S/C24H16O12/c25-9-1-10(26)3-12(2-9)34-22-17(31)8-18(32)23-24(22)36-21-16(30)6-13(7-19(21)35-23)33-20-14(28)4-11(27)5-15(20)29/h1-8,25-32H
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
1.93E+4n/an/an/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Competitive inhibition of C-terminal His6-tagged recombinant SARS coronavirus 3C-like protease trans-cleavage activity expressed in Escherichia coli ...


Bioorg Med Chem 21: 3730-7 (2013)


Article DOI: 10.1016/j.bmc.2013.04.026
BindingDB Entry DOI: 10.7270/Q24J0J2W
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/Brevig Mission/1/1918 ...)
BDBM50352812
PNG
(CHEMBL1823414)
Show SMILES COc1ccc(C(=O)\C=C\c2ccc(O)cc2)c(O)c1C\C=C(/C)CCC(O)C(C)=C
Show InChI InChI=1S/C26H30O5/c1-17(2)23(28)14-6-18(3)5-12-22-25(31-4)16-13-21(26(22)30)24(29)15-9-19-7-10-20(27)11-8-19/h5,7-11,13,15-16,23,27-28,30H,1,6,12,14H2,2-4H3/b15-9+,18-5+
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

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



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Noncompetitive inhibition of Influenza A virus (A/Brevig Mission/1/1918(H1N1)) recombinant neuraminidase using 4-methylumbelliferyl-alpha-D-N-acetyln...


Bioorg Med Chem Lett 21: 5602-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.130
BindingDB Entry DOI: 10.7270/Q2571CDW
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/Brevig Mission/1/1918 ...)
BDBM76798
PNG
((E)-1-[2,4-dihydroxy-3-[(2E)-6-hydroxy-3,7-dimethy...)
Show SMILES CC(=C)C(O)CC\C(C)=C\Cc1c(O)ccc(C(=O)\C=C\c2ccc(O)cc2)c1O
Show InChI InChI=1S/C25H28O5/c1-16(2)22(27)13-5-17(3)4-11-20-24(29)15-12-21(25(20)30)23(28)14-8-18-6-9-19(26)10-7-18/h4,6-10,12,14-15,22,26-27,29-30H,1,5,11,13H2,2-3H3/b14-8+,17-4+
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.07E+4n/an/an/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Noncompetitive inhibition of Influenza A virus (A/Brevig Mission/1/1918(H1N1)) recombinant neuraminidase using 4-methylumbelliferyl-alpha-D-N-acetyln...


Bioorg Med Chem Lett 21: 5602-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.130
BindingDB Entry DOI: 10.7270/Q2571CDW
More data for this
Ligand-Target Pair
Replicase polyprotein 1a


(Human SARS coronavirus (SARS-CoV))
BDBM50009219
PNG
(2-isopropyl-8,8-dimethyl-5,6,7,8-tetrahydrophenant...)
Show SMILES CC(C)C1=Cc2ccc3c(CCCC3(C)C)c2C(=O)C1=O |t:3|
Show InChI InChI=1S/C19H22O2/c1-11(2)14-10-12-7-8-15-13(6-5-9-19(15,3)4)16(12)18(21)17(14)20/h7-8,10-11H,5-6,9H2,1-4H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
KEGG
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
2.15E+4n/an/an/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Time dependent inhibition of SARS-CoV PLpro expressed in Escherichia coli BL21 (DE3) using Arg-Leu-Arg-Gly-Gly-AMC as substrate at 3 to 100 uM up to ...


Bioorg Med Chem 20: 5928-35 (2012)


Article DOI: 10.1016/j.bmc.2012.07.038
BindingDB Entry DOI: 10.7270/Q2QF8TZ4
More data for this
Ligand-Target Pair
Replicase polyprotein 1a


(Human SARS coronavirus (SARS-CoV))
BDBM50391429
PNG
(CHEMBL215254 | acs.jmedchem.1c00409_ST.620)
Show SMILES Cc1coc-2c1C(=O)C(=O)c1c3CCCC(C)(CO)c3ccc-21
Show InChI InChI=1S/C19H18O4/c1-10-8-23-18-12-5-6-13-11(4-3-7-19(13,2)9-20)15(12)17(22)16(21)14(10)18/h5-6,8,20H,3-4,7,9H2,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.16E+4n/an/an/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Time dependent inhibition of SARS-CoV PLpro expressed in Escherichia coli BL21 (DE3) using Arg-Leu-Arg-Gly-Gly-AMC as substrate at 3 to 100 uM up to ...


Bioorg Med Chem 20: 5928-35 (2012)


Article DOI: 10.1016/j.bmc.2012.07.038
BindingDB Entry DOI: 10.7270/Q2QF8TZ4
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM50491981
PNG
(2-PHLOROECKOL)
Show SMILES Oc1cc(O)c(Oc2cc(O)c3Oc4cc(O)cc(O)c4Oc3c2Oc2cc(O)cc(O)c2)c(O)c1
Show InChI InChI=1S/C24H16O12/c25-9-1-10(26)3-13(2-9)33-23-19(34-20-14(29)4-11(27)5-15(20)30)8-17(32)22-24(23)36-21-16(31)6-12(28)7-18(21)35-22/h1-8,25-32H
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
2.40E+4n/an/an/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Competitive inhibition of C-terminal His6-tagged recombinant SARS coronavirus 3C-like protease trans-cleavage activity expressed in Escherichia coli ...


Bioorg Med Chem 21: 3730-7 (2013)


Article DOI: 10.1016/j.bmc.2013.04.026
BindingDB Entry DOI: 10.7270/Q24J0J2W
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM50323199
PNG
(5,7-dihydroxy-8-(5-(5-hydroxy-7-methoxy-4-oxo-4H-c...)
Show SMILES COc1cc2oc(cc(O)c2c(=O)c1)-c1ccc(OC)c(c1)-c1c(O)cc(O)c2c1oc(cc2=O)-c1ccc(O)cc1 |(-8.64,-2.46,;-8.63,-4,;-7.29,-4.77,;-5.96,-3.99,;-4.63,-4.75,;-3.3,-3.96,;-1.95,-4.73,;-1.94,-6.28,;-3.28,-7.06,;-3.27,-8.6,;-4.61,-6.3,;-5.94,-7.06,;-5.93,-8.6,;-7.27,-6.31,;-.63,-3.95,;-.64,-2.41,;.68,-1.63,;2.03,-2.39,;3.35,-1.62,;3.34,-.08,;2.04,-3.94,;.71,-4.71,;3.37,-4.69,;3.38,-6.24,;2.05,-7.01,;4.72,-7,;6.05,-6.22,;7.39,-6.98,;6.04,-4.68,;4.7,-3.92,;4.68,-2.38,;6.02,-1.6,;7.36,-2.36,;7.36,-3.9,;8.7,-4.67,;6.02,-.06,;7.35,.72,;7.34,2.26,;6,3.02,;5.99,4.56,;4.67,2.23,;4.68,.7,)|
Show InChI InChI=1S/C32H22O10/c1-39-18-10-20(34)30-23(37)13-27(41-28(30)11-18)16-5-8-25(40-2)19(9-16)29-21(35)12-22(36)31-24(38)14-26(42-32(29)31)15-3-6-17(33)7-4-15/h3-14,33,35-37H,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
3.02E+4n/an/an/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Non-competitive inhibition of SARS coronavirus 3C-like protease by Dixon plot analysis


Bioorg Med Chem 18: 7940-7 (2010)


Article DOI: 10.1016/j.bmc.2010.09.035
BindingDB Entry DOI: 10.7270/Q2MG7SBP
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/Brevig Mission/1/1918 ...)
BDBM50352808
PNG
(CHEMBL1823413)
Show SMILES COC(CC\C(C)=C\Cc1c(O)ccc(C(=O)\C=C\c2ccc(O)cc2)c1O)OC
Show InChI InChI=1S/C24H28O6/c1-16(5-15-23(29-2)30-3)4-11-19-22(27)14-12-20(24(19)28)21(26)13-8-17-6-9-18(25)10-7-17/h4,6-10,12-14,23,25,27-28H,5,11,15H2,1-3H3/b13-8+,16-4+
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.35E+4n/an/an/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Noncompetitive inhibition of Influenza A virus (A/Brevig Mission/1/1918(H1N1)) recombinant neuraminidase using 4-methylumbelliferyl-alpha-D-N-acetyln...


Bioorg Med Chem Lett 21: 5602-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.130
BindingDB Entry DOI: 10.7270/Q2571CDW
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM50323206
PNG
(CHEMBL208908 | sciadopitisin | sciadopitysin)
Show SMILES COc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)c(-c3cc(ccc3OC)-c3cc(O)c4c(cc(OC)cc4=O)o3)c2o1 |(10.61,-33.01,;9.27,-32.25,;7.94,-33.02,;7.94,-34.56,;6.61,-35.34,;5.28,-34.57,;5.27,-33.03,;6.6,-32.26,;3.95,-35.34,;3.95,-36.87,;2.63,-37.63,;2.63,-39.17,;1.31,-36.87,;-.03,-37.66,;-.03,-39.2,;-1.36,-36.89,;-1.36,-35.35,;-2.69,-34.58,;-.02,-34.58,;-.02,-33.04,;-1.36,-32.27,;-1.35,-30.73,;-.03,-29.96,;1.31,-30.73,;1.31,-32.27,;2.65,-33.04,;3.98,-32.27,;-2.68,-29.97,;-2.68,-28.42,;-4.03,-27.64,;-4.03,-26.1,;-5.36,-28.42,;-5.36,-29.97,;-6.7,-30.74,;-8.03,-29.97,;-9.37,-30.74,;-10.7,-29.97,;-8.03,-28.42,;-6.7,-27.64,;-6.7,-26.1,;-4.02,-30.74,;1.3,-35.35,;2.62,-34.57,)|
Show InChI InChI=1S/C33H24O10/c1-39-18-7-4-16(5-8-18)27-15-25(38)32-23(36)13-22(35)30(33(32)43-27)20-10-17(6-9-26(20)41-3)28-14-24(37)31-21(34)11-19(40-2)12-29(31)42-28/h4-15,35-37H,1-3H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
3.56E+4n/an/an/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Non-competitive inhibition of SARS coronavirus 3C-like protease by Dixon plot analysis


Bioorg Med Chem 18: 7940-7 (2010)


Article DOI: 10.1016/j.bmc.2010.09.035
BindingDB Entry DOI: 10.7270/Q2MG7SBP
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/Brevig Mission/1/1918 ...)
BDBM50352809
PNG
(CHEMBL458094)
Show SMILES [#6]-[#8]-c1ccc(-[#6](=O)\[#6]=[#6]\c2ccc(-[#8])cc2)c(-[#8])c1-[#6]\[#6]=[#6](\[#6])-[#6]
Show InChI InChI=1S/C21H22O4/c1-14(2)4-10-18-20(25-3)13-11-17(21(18)24)19(23)12-7-15-5-8-16(22)9-6-15/h4-9,11-13,22,24H,10H2,1-3H3/b12-7+
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
5.02E+4n/an/an/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Noncompetitive inhibition of Influenza A virus (A/Brevig Mission/1/1918(H1N1)) recombinant neuraminidase using 4-methylumbelliferyl-alpha-D-N-acetyln...


Bioorg Med Chem Lett 21: 5602-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.130
BindingDB Entry DOI: 10.7270/Q2571CDW
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM50491983
PNG
(CHEBI:65918 | Fucodiphloroethol G)
Show SMILES Oc1cc(O)c(Oc2cc(O)cc(O)c2Oc2cc(O)cc(O)c2-c2c(O)cc(O)cc2O)c(O)c1 |(18.25,-3.55,;19.59,-2.79,;20.91,-3.56,;22.25,-2.8,;23.58,-3.59,;22.27,-1.25,;23.6,-.49,;23.61,1.05,;22.28,1.82,;22.29,3.35,;20.95,4.13,;23.63,4.13,;24.96,3.35,;26.3,4.11,;24.95,1.81,;26.28,1.03,;27.62,1.79,;27.61,3.33,;28.94,4.11,;28.93,5.65,;30.28,3.36,;30.3,1.82,;31.64,1.07,;28.96,1.03,;28.98,-.51,;27.65,-1.29,;26.31,-.53,;27.66,-2.83,;29,-3.59,;29.02,-5.13,;30.33,-2.8,;30.32,-1.26,;31.64,-.48,;20.93,-.48,;20.93,1.06,;19.59,-1.24,)|
Show InChI InChI=1S/C24H18O12/c25-9-1-13(29)21(14(30)2-9)22-15(31)3-11(27)7-19(22)35-24-18(34)6-12(28)8-20(24)36-23-16(32)4-10(26)5-17(23)33/h1-8,25-34H
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
6.35E+4n/an/an/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Competitive inhibition of C-terminal His6-tagged recombinant SARS coronavirus 3C-like protease trans-cleavage activity expressed in Escherichia coli ...


Bioorg Med Chem 21: 3730-7 (2013)


Article DOI: 10.1016/j.bmc.2013.04.026
BindingDB Entry DOI: 10.7270/Q24J0J2W
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM50323196
PNG
(4'-methylamentoflavone | CHEMBL378188 | bilobetin)
Show SMILES COc1ccc(cc1-c1c(O)cc(O)c2c1oc(cc2=O)-c1ccc(O)cc1)-c1cc(O)c2c(cc(O)cc2=O)o1 |(3.27,-31.58,;3.27,-33.11,;1.94,-33.89,;.61,-33.11,;-.73,-33.89,;-.73,-35.42,;.61,-36.2,;1.94,-35.42,;3.27,-36.2,;4.6,-35.42,;4.6,-33.89,;5.93,-36.2,;5.93,-37.73,;7.27,-38.51,;4.6,-38.51,;3.27,-37.73,;1.94,-38.51,;1.94,-40.04,;3.27,-40.81,;4.6,-40.04,;5.93,-40.81,;.61,-40.81,;.61,-42.35,;-.73,-43.12,;-2.06,-42.35,;-3.39,-43.12,;-2.06,-40.81,;-.73,-40.04,;-2.06,-36.2,;-2.06,-37.73,;-3.39,-38.51,;-3.39,-40.04,;-4.73,-37.73,;-4.73,-36.2,;-6.06,-35.42,;-7.39,-36.2,;-8.72,-35.42,;-7.39,-37.73,;-6.06,-38.51,;-6.06,-40.04,;-3.39,-35.42,)|
Show InChI InChI=1S/C31H20O10/c1-39-24-7-4-15(26-12-22(37)29-19(34)9-17(33)10-27(29)40-26)8-18(24)28-20(35)11-21(36)30-23(38)13-25(41-31(28)30)14-2-5-16(32)6-3-14/h2-13,32-33,35-37H,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
8.04E+4n/an/an/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Non-competitive inhibition of SARS coronavirus 3C-like protease by Dixon plot analysis


Bioorg Med Chem 18: 7940-7 (2010)


Article DOI: 10.1016/j.bmc.2010.09.035
BindingDB Entry DOI: 10.7270/Q2MG7SBP
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/Brevig Mission/1/1918 ...)
BDBM50352811
PNG
(CHEMBL1722838)
Show SMILES [#6]-[#8]-c1ccc(-[#6](=O)\[#6]=[#6]\c2ccc(-[#8])cc2)c(-[#8])c1-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6]
Show InChI InChI=1S/C26H30O4/c1-18(2)6-5-7-19(3)8-14-23-25(30-4)17-15-22(26(23)29)24(28)16-11-20-9-12-21(27)13-10-20/h6,8-13,15-17,27,29H,5,7,14H2,1-4H3/b16-11+,19-8+
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
1.23E+5n/an/an/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Noncompetitive inhibition of Influenza A virus (A/Brevig Mission/1/1918(H1N1)) recombinant neuraminidase using 4-methylumbelliferyl-alpha-D-N-acetyln...


Bioorg Med Chem Lett 21: 5602-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.130
BindingDB Entry DOI: 10.7270/Q2571CDW
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50431696
PNG
(CHEMBL2349534)
Show SMILES Cc1c(nn(C)c1-c1ccc(F)cc1)C(=O)Nc1cccc(C)n1
Show InChI InChI=1S/C18H17FN4O/c1-11-5-4-6-15(20-11)21-18(24)16-12(2)17(23(3)22-16)13-7-9-14(19)10-8-13/h4-10H,1-3H3,(H,20,21,24)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 1.10n/an/an/an/an/an/a



SK Biopharmaceuticals

Curated by ChEMBL


Assay Description
Negative allosteric modulation of human mGluR5 expressed in HEK293 cells assessed as calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 23: 2134-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.116
BindingDB Entry DOI: 10.7270/Q20R9QR5
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50431690
PNG
(CHEMBL2349540)
Show SMILES Cc1c(nn(C)c1-c1ccc(Cl)c(Cl)c1)C(=O)Nc1cccc(C)n1
Show InChI InChI=1S/C18H16Cl2N4O/c1-10-5-4-6-15(21-10)22-18(25)16-11(2)17(24(3)23-16)12-7-8-13(19)14(20)9-12/h4-9H,1-3H3,(H,21,22,25)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 2.30n/an/an/an/an/an/a



SK Biopharmaceuticals

Curated by ChEMBL


Assay Description
Negative allosteric modulation of human mGluR5 expressed in HEK293 cells assessed as calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 23: 2134-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.116
BindingDB Entry DOI: 10.7270/Q20R9QR5
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM50613898
PNG
(CHEMBL5283753)
Show SMILES Cc1cccc(n1)-c1[nH]c(NCc2cccc(F)c2)nc1-c1ccc2n(C)ncc2c1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
UniChem
n/an/a 3.5n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM50613915
PNG
(CHEMBL5268868)
Show SMILES Cc1cccc(n1)-c1[nH]c(NCc2ccc(F)cc2F)nc1-c1ccc2[nH]ncc2c1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
UniChem
n/an/a 3.60n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1


(Homo sapiens (Human))
BDBM50609365
PNG
(CHEMBL5282123)
Show SMILES Cl.CN1Cc2c(NC1=O)ncnc2N1CCC(C)(CNS(N)(=O)=O)CC1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
UniChem
n/an/a 3.70n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50431692
PNG
(CHEMBL2349538)
Show SMILES Cc1c(nn(C)c1-c1ccc(F)cc1F)C(=O)Nc1cccc(C)n1 |(61.97,-12.43,;61.98,-10.89,;63.24,-10,;62.78,-8.53,;61.24,-8.51,;60.34,-7.26,;60.75,-9.97,;59.28,-10.44,;58.16,-9.39,;56.69,-9.85,;56.35,-11.36,;54.88,-11.82,;57.5,-12.4,;58.96,-11.93,;60.1,-12.97,;64.7,-10.49,;65,-12,;65.85,-9.47,;67.31,-9.96,;67.61,-11.48,;69.07,-11.97,;70.23,-10.95,;69.92,-9.43,;71.07,-8.41,;68.46,-8.95,)|
Show InChI InChI=1S/C18H16F2N4O/c1-10-5-4-6-15(21-10)22-18(25)16-11(2)17(24(3)23-16)13-8-7-12(19)9-14(13)20/h4-9H,1-3H3,(H,21,22,25)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 3.70n/an/an/an/an/an/a



SK Biopharmaceuticals

Curated by ChEMBL


Assay Description
Negative allosteric modulation of human mGluR5 expressed in HEK293 cells assessed as calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 23: 2134-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.116
BindingDB Entry DOI: 10.7270/Q20R9QR5
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50431695
PNG
(CHEMBL2349535)
Show SMILES Cc1c(nn(C)c1-c1ccc(Cl)cc1)C(=O)Nc1cccc(C)n1
Show InChI InChI=1S/C18H17ClN4O/c1-11-5-4-6-15(20-11)21-18(24)16-12(2)17(23(3)22-16)13-7-9-14(19)10-8-13/h4-10H,1-3H3,(H,20,21,24)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 3.80n/an/an/an/an/an/a



SK Biopharmaceuticals

Curated by ChEMBL


Assay Description
Negative allosteric modulation of human mGluR5 expressed in HEK293 cells assessed as calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 23: 2134-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.116
BindingDB Entry DOI: 10.7270/Q20R9QR5
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50431693
PNG
(CHEMBL2349537)
Show SMILES Cc1c(nn(C)c1-c1ccc(F)c(F)c1)C(=O)Nc1cccc(C)n1
Show InChI InChI=1S/C18H16F2N4O/c1-10-5-4-6-15(21-10)22-18(25)16-11(2)17(24(3)23-16)12-7-8-13(19)14(20)9-12/h4-9H,1-3H3,(H,21,22,25)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 4.30n/an/an/an/an/an/a



SK Biopharmaceuticals

Curated by ChEMBL


Assay Description
Negative allosteric modulation of human mGluR5 expressed in HEK293 cells assessed as calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 23: 2134-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.116
BindingDB Entry DOI: 10.7270/Q20R9QR5
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50431697
PNG
(CHEMBL2349533)
Show SMILES Cc1c(nn(C)c1-c1ccccc1)C(=O)Nc1cccc(C)n1
Show InChI InChI=1S/C18H18N4O/c1-12-8-7-11-15(19-12)20-18(23)16-13(2)17(22(3)21-16)14-9-5-4-6-10-14/h4-11H,1-3H3,(H,19,20,23)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 4.40n/an/an/an/an/an/a



SK Biopharmaceuticals

Curated by ChEMBL


Assay Description
Negative allosteric modulation of human mGluR5 expressed in HEK293 cells assessed as calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 23: 2134-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.116
BindingDB Entry DOI: 10.7270/Q20R9QR5
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM50613920
PNG
(CHEMBL5273412)
Show SMILES Cc1cccc(n1)-c1[nH]c(NCc2cccc(F)c2F)nc1-c1ccc2[nH]ncc2c1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
UniChem
n/an/a 4.5n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50431694
PNG
(CHEMBL2349536)
Show SMILES Cc1c(nn(C)c1-c1cccc(Cl)c1)C(=O)Nc1cccc(C)n1
Show InChI InChI=1S/C18H17ClN4O/c1-11-6-4-9-15(20-11)21-18(24)16-12(2)17(23(3)22-16)13-7-5-8-14(19)10-13/h4-10H,1-3H3,(H,20,21,24)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 4.70n/an/an/an/an/an/a



SK Biopharmaceuticals

Curated by ChEMBL


Assay Description
Negative allosteric modulation of human mGluR5 expressed in HEK293 cells assessed as calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 23: 2134-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.116
BindingDB Entry DOI: 10.7270/Q20R9QR5
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM50613917
PNG
(CHEMBL5271258)
Show SMILES Cc1cccc(n1)-c1[nH]c(NCc2cccc(F)c2)nc1-c1ccc2[nH]ncc2c1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
UniChem
n/an/a 4.70n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM50613909
PNG
(CHEMBL5279947)
Show SMILES Cc1cccc(n1)-c1[nH]c(NCc2ccc(Cl)c(Cl)c2)nc1-c1ccc2n(C)ncc2c1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
UniChem
n/an/a 5n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM50613898
PNG
(CHEMBL5283753)
Show SMILES Cc1cccc(n1)-c1[nH]c(NCc2cccc(F)c2)nc1-c1ccc2n(C)ncc2c1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
UniChem
n/an/a 5n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM50613902
PNG
(CHEMBL5282597)
Show SMILES Cc1cccc(n1)-c1[nH]c(NCc2ccccc2F)nc1-c1ccc2n(C)ncc2c1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
UniChem
n/an/a 5.10n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM50613914
PNG
(CHEMBL5274746)
Show SMILES Cc1cccc(n1)-c1[nH]c(NCc2ccc(F)c(F)c2)nc1-c1ccc2[nH]ncc2c1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
UniChem
n/an/a 5.20n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50431691
PNG
(CHEMBL2349539)
Show SMILES Cc1c(nn(C)c1-c1cc(F)cc(F)c1)C(=O)Nc1cccc(C)n1
Show InChI InChI=1S/C18H16F2N4O/c1-10-5-4-6-15(21-10)22-18(25)16-11(2)17(24(3)23-16)12-7-13(19)9-14(20)8-12/h4-9H,1-3H3,(H,21,22,25)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 5.30n/an/an/an/an/an/a



SK Biopharmaceuticals

Curated by ChEMBL


Assay Description
Negative allosteric modulation of human mGluR5 expressed in HEK293 cells assessed as calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 23: 2134-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.116
BindingDB Entry DOI: 10.7270/Q20R9QR5
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50431689
PNG
(CHEMBL2349541)
Show SMILES Cc1c(nn(C)c1-c1ccc(C)cc1)C(=O)Nc1cccc(C)n1
Show InChI InChI=1S/C19H20N4O/c1-12-8-10-15(11-9-12)18-14(3)17(22-23(18)4)19(24)21-16-7-5-6-13(2)20-16/h5-11H,1-4H3,(H,20,21,24)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 5.30n/an/an/an/an/an/a



SK Biopharmaceuticals

Curated by ChEMBL


Assay Description
Negative allosteric modulation of human mGluR5 expressed in HEK293 cells assessed as calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 23: 2134-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.116
BindingDB Entry DOI: 10.7270/Q20R9QR5
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM50613905
PNG
(CHEMBL5289293)
Show SMILES Cc1cccc(n1)-c1[nH]c(NCc2ccc(F)c(F)c2)nc1-c1ccc2n(C)ncc2c1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
UniChem
n/an/a 5.40n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM50613916
PNG
(CHEMBL5278659)
Show SMILES Cc1cccc(n1)-c1[nH]c(NCc2cccc(Cl)c2F)nc1-c1ccc2[nH]ncc2c1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
UniChem
n/an/a 5.5n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50431717
PNG
(CHEMBL2346726)
Show SMILES Cc1nc(C(=O)Nc2cccc(C)n2)c(C)n1-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C18H16Cl2N4O/c1-10-5-4-6-16(21-10)23-18(25)17-11(2)24(12(3)22-17)13-7-8-14(19)15(20)9-13/h4-9H,1-3H3,(H,21,23,25)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 5.80n/an/an/an/an/an/a



SK Biopharmaceuticals

Curated by ChEMBL


Assay Description
Negative allosteric modulation of human mGluR5 expressed in HEK293 cells assessed as calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 23: 2134-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.116
BindingDB Entry DOI: 10.7270/Q20R9QR5
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM50613897
PNG
(CHEMBL5275540)
Show SMILES Cc1cccc(n1)-c1[nH]c(NCc2ccccc2F)nc1-c1ccc2[nH]ncc2c1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
UniChem
n/an/a 6n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50431722
PNG
(CHEMBL2346721)
Show SMILES Cc1c(nn(C)c1-c1ccc(F)cc1)C(=O)Nc1ccnc(Cl)n1
Show InChI InChI=1S/C16H13ClFN5O/c1-9-13(15(24)20-12-7-8-19-16(17)21-12)22-23(2)14(9)10-3-5-11(18)6-4-10/h3-8H,1-2H3,(H,19,20,21,24)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 7.10n/an/an/an/an/an/a



SK Biopharmaceuticals

Curated by ChEMBL


Assay Description
Negative allosteric modulation of human mGluR5 expressed in HEK293 cells assessed as calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 23: 2134-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.116
BindingDB Entry DOI: 10.7270/Q20R9QR5
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM50613900
PNG
(CHEMBL5290805)
Show SMILES Cc1cccc(n1)-c1[nH]c(NCc2cccc(F)c2)nc1-c1ccc2n(ncc2c1)C(F)F
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
UniChem
n/an/a 7.20n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM50613919
PNG
(CHEMBL5275976)
Show SMILES Cc1cccc(n1)-c1[nH]c(NCc2ccc(Cl)cc2F)nc1-c1ccc2[nH]ncc2c1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
UniChem
n/an/a 7.30n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM50613903
PNG
(CHEMBL5276258)
Show SMILES Cc1cccc(n1)-c1[nH]c(NCc2ccc(F)cc2)nc1-c1ccc2n(C)ncc2c1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
UniChem
n/an/a 8.5n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM50015639
PNG
(CHEMBL3260567 | USRE47141, Example 2)
Show SMILES Cc1cccc(n1)-c1[nH]c(CNc2ccccc2F)nc1-c1ccc2ncnn2c1
Show InChI InChI=1S/C22H18FN7/c1-14-5-4-8-18(27-14)22-21(15-9-10-20-25-13-26-30(20)12-15)28-19(29-22)11-24-17-7-3-2-6-16(17)23/h2-10,12-13,24H,11H2,1H3,(H,28,29)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem

Patents


Similars

n/an/a 9.40n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 419 total )  |  Next  |  Last  >>
Jump to: