Compile Data Set for Download or QSAR
Found 102 with Last Name = 'vajda' and Initial = 's'
TargetApoptosis regulator Bcl-2(Homo sapiens (Human))
Boston University

Curated by ChEMBL
LigandPNGBDBM50270877((R)-4-(4-((2-(4-chlorophenyl)-5,5-dimethylcyclohex...)copy SMILEScopy InChI
Affinity DataKi:  0.0440nMAssay Description:Inhibition of Bcl2 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2ZG6WHWPubMed
TargetHistone-lysine N-methyltransferase, H3 lysine-79 specific(Homo sapiens (Human))
Boston University

Curated by ChEMBL
LigandPNGBDBM50075098(CHEMBL3414626 | US10143704, Compound A2 | US944606...)copy SMILEScopy InChI
Affinity DataKi:  0.0800nMAssay Description:Inhibition of human DOT1-like Histone H3 Methyltransferase preincubated for 30 mins followed by 3H-SAM addition and measured after 120 minsMore data for this Ligand-Target Pair
TargetGlucocorticoid receptor(Homo sapiens (Human))
Boston University

Curated by ChEMBL
LigandPNGBDBM50148733((9beta,10alpha,11alpha,14beta,16alpha,17alpha)-9,2...)copy SMILEScopy InChI
Affinity DataKi:  0.700nMAssay Description:Inhibition of glucocorticoid receptor (unknown origin)More data for this Ligand-Target Pair
TargetMitogen-activated protein kinase 11/12/13/14(Homo sapiens (Human))
Boston University

Curated by ChEMBL
LigandPNGBDBM15244(5-(2,6-dichlorophenyl)-2-(2,4-difluorophenyl)sulfa...)copy SMILEScopy InChI
Affinity DataKi:  0.800nMAssay Description:Inhibition of P38 mitogen activated protein kinase (unknown origin)More data for this Ligand-Target Pair
TargetTyrosine-protein phosphatase non-receptor type 1(Homo sapiens (Human))
Stony Brook University

Curated by ChEMBL
LigandPNGBDBM50500145(CHEMBL1235987)copy SMILEScopy InChI
Affinity DataKi:  1.40nMAssay Description:Inhibition of PTP1B (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q24T6NC6PubMed
TargetProthrombin(Homo sapiens (Human))
Boston University

Curated by ChEMBL
LigandPNGBDBM50505290(CHEBI:65172 | Exanta | Exanta (proposed) | H 376/9...)copy SMILEScopy InChI
Affinity DataKi:  2nMAssay Description:Inhibition of thrombin (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2ZG6WHWPubMed
TargetKinesin-like protein KIF11(Homo sapiens (Human))
Boston University

Curated by ChEMBL
LigandPNGBDBM50382559(ISPINESIB)copy SMILEScopy InChI
Affinity DataKi:  2.30nMAssay Description:Inhibition of Kinesin Eg5 (unknown origin)More data for this Ligand-Target Pair
TargetEpidermal growth factor receptor(Homo sapiens (Human))
Boston University

Curated by ChEMBL
LigandPNGBDBM5445(CHEMBL554 | GW572016 | LAPATINIB DITOSYLATE | Lapa...)copy SMILEScopy InChI
Affinity DataKi:  3nMAssay Description:Inhibition of EGFR (unknown origin)More data for this Ligand-Target Pair
TargetTyrosine-protein phosphatase non-receptor type 1(Homo sapiens (Human))
Stony Brook University

Curated by ChEMBL
LigandPNGBDBM50219566(4-bromo-3-carboxymethoxy-5-[3-(1-phenylmethanesulf...)copy SMILEScopy InChI
Affinity DataKi:  4nMAssay Description:Inhibition of PTP1B (unknown origin)More data for this Ligand-Target Pair
TargetProthrombin(Homo sapiens (Human))
Boston University

Curated by ChEMBL
LigandPNGBDBM50073316(CHEMBL114715 | INOGATRAN | {(R)-1-Cyclohexylmethyl...)copy SMILEScopy InChI
Affinity DataKi:  4.20nMAssay Description:Inhibition of thrombin (unknown origin)More data for this Ligand-Target Pair
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Boston University

Curated by ChEMBL
LigandPNGBDBM152((4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis(p...)copy SMILEScopy InChI
Affinity DataKi:  4.60nMAssay Description:Inhibition of HIV-1 Aspartic ProteaseMore data for this Ligand-Target Pair
TargetBromodomain-containing protein 4(Homo sapiens (Human))
Boston University

Curated by ChEMBL
LigandPNGBDBM50260093(CHEMBL4078100)copy SMILEScopy InChI
Affinity DataKi:  5nMAssay Description:Inhibition of BRD4 (unknown origin)More data for this Ligand-Target Pair
Target3-hydroxy-3-methylglutaryl-coenzyme A reductase(Homo sapiens (Human))
Boston University

Curated by ChEMBL
LigandPNGBDBM22164((3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylca...)copy SMILEScopy InChI
Affinity DataKi:  6.20nMAssay Description:Inhibition of HMG-CoA Reductase (unknown origin)More data for this Ligand-Target Pair
TargetTyrosine-protein kinase ABL1(Homo sapiens (Human))
Boston University

Curated by ChEMBL
LigandPNGBDBM81734(PPY-A)copy SMILEScopy InChI
Affinity DataKi:  20nMAssay Description:Inhibition of ABL1 (unknown origin)More data for this Ligand-Target Pair
TargetEpidermal growth factor receptor(Homo sapiens (Human))
Boston University

Curated by ChEMBL
LigandPNGBDBM50141610(CHEMBL3759096)copy SMILEScopy InChI
Affinity DataKi:  34nMAssay Description:Inhibition of EGFR (unknown origin)More data for this Ligand-Target Pair
TargetE3 ubiquitin-protein ligase XIAP(Homo sapiens (Human))
Boston University

Curated by ChEMBL
LigandPNGBDBM50505286(CHEMBL1231341)copy SMILEScopy InChI
Affinity DataKi:  67nMAssay Description:Inhibition of E3 ubiquitin-protein ligase XIAP (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetSerine/threonine-protein kinase Chk1(Homo sapiens (Human))
University of California

Curated by ChEMBL
LigandPNGBDBM50526692(CHEMBL1230881)copy SMILEScopy InChI
Affinity DataKi:  146nMAssay Description:Inhibition of wild-type human CHK1 (1 to 289 residues) expressed in baculovirus infected Sf21 insect cells preincubated for 15 mins followed by ATP a...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetHistone-lysine N-methyltransferase, H3 lysine-79 specific(Homo sapiens (Human))
Boston University

Curated by ChEMBL
LigandPNGBDBM50009672(AdoHcy | CHEMBL418052 | S-(5'-adenosyl)-L-homocyst...)copy SMILEScopy InChI
Affinity DataKi:  270nMAssay Description:Inhibition of DOT1-like Histone H3 Methyltransferase (unknown origin)More data for this Ligand-Target Pair
TargetMitogen-activated protein kinase 11/12/13/14(Homo sapiens (Human))
Boston University

Curated by ChEMBL
LigandPNGBDBM19429(4-[3-(4-fluorophenyl)-1H-pyrazol-4-yl]pyridine | S...)copy SMILEScopy InChI
Affinity DataKi:  600nMAssay Description:Inhibition of P38 mitogen activated protein kinase (unknown origin)More data for this Ligand-Target Pair
TargetALK tyrosine kinase receptor(Homo sapiens (Human))
Boston University

Curated by ChEMBL
LigandPNGBDBM50436850(CERITINIB | CHEMBL2403108 | LDK378 | US10053458, C...)copy SMILEScopy InChI
Affinity DataKi:  3.70E+3nMAssay Description:Inhibition of ALK (unknown origin)More data for this Ligand-Target Pair
TargetHistone-lysine N-methyltransferase, H3 lysine-79 specific(Homo sapiens (Human))
Boston University

Curated by ChEMBL
LigandPNGBDBM28453((2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-[(dimeth...)copy SMILEScopy InChI
Affinity DataKi:  9.00E+3nMAssay Description:Inhibition of DOT1-like Histone H3 Methyltransferase (unknown origin)More data for this Ligand-Target Pair
TargetPeptidyl-prolyl cis-trans isomerase A(Homo sapiens (Human))
Boston University

Curated by ChEMBL
LigandPNGBDBM139995(US8901295, F428)copy SMILEScopy InChI
Affinity DataKi:  1.68E+4nMAssay Description:Inhibition of Cyclophilin A (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetGlucose-1-phosphate cytidylyltransferase(Salmonella typhi)
Stony Brook University

Curated by ChEMBL
LigandPNGBDBM50454133(CHEBI:17677 | Cystetine Triphosphate)copy SMILEScopy InChI
Affinity DataKi:  3.50E+4nMAssay Description:Binding affinity to Salmonella typhi glucose-1-phosphate cytidylyl-transferase assessed as dissociation constant by spectrophotometryMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q24T6NC6PubMed
TargetToll-like receptor 4(Homo sapiens (Human))
Boston University

Curated by ChEMBL
LigandPNGBDBM50274760(3-O-DECYL-2-DEOXY-6-O-{2-DEOXY-3-O-[(3R)-3-METHOXY...)copy SMILEScopy InChI
Affinity DataIC50: 1.5nMAssay Description:Antagonist activity at TLR4 in human serum assessed as reduction in LPS-induced TNFalpha production after 3 hrs by ELISAMore data for this Ligand-Target Pair
TargetEpidermal growth factor receptor(Homo sapiens (Human))
Boston University

Curated by ChEMBL
LigandPNGBDBM50453891(CHEMBL4214567)copy SMILEScopy InChI
Affinity DataIC50: 3nMAssay Description:Inhibition of human EGFR L858R/T790M mutant (696 to 1022 residues) expressed in Sf9 insect cells by HTRF assayMore data for this Ligand-Target Pair
TargetGlucocorticoid receptor(Homo sapiens (Human))
Boston University

Curated by ChEMBL
LigandPNGBDBM50505289(CHEMBL1233786)copy SMILEScopy InChI
Affinity DataIC50: 6.30nMAssay Description:Inhibition of glucocorticoid receptor (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetDual specificity mitogen-activated protein kinase kinase 1(Homo sapiens (Human))
Boston University

Curated by ChEMBL
LigandPNGBDBM50391803(CHEMBL2146888)copy SMILEScopy InChI
Affinity DataIC50: 6.60nMAssay Description:Inhibition of MEK1 (unknown origin)More data for this Ligand-Target Pair
TargetTyrosine-protein phosphatase non-receptor type 1(Homo sapiens (Human))
Stony Brook University

Curated by ChEMBL
LigandPNGBDBM50500147(CHEMBL3746639)copy SMILEScopy InChI
Affinity DataIC50: 7nMAssay Description:Inhibition of PTP1B (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q24T6NC6PubMed
TargetMitogen-activated protein kinase 11/12/13/14(Homo sapiens (Human))
Boston University

Curated by ChEMBL
LigandPNGBDBM50359361(CHEMBL1929215)copy SMILEScopy InChI
Affinity DataIC50: 18nMAssay Description:Inhibition of P38 mitogen activated protein kinase (unknown origin)More data for this Ligand-Target Pair
TargetPhosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform(Homo sapiens (Human))
Boston University

Curated by ChEMBL
LigandPNGBDBM50403068(CHEMBL2216870 | IDELALISIB | US9745321, CAL-101)copy SMILEScopy InChI
Affinity DataIC50: 19nMAssay Description:Inhibition of PIK3CD (unknown origin)More data for this Ligand-Target Pair
TargetRNA-directed RNA polymerase(Hepatitis C virus)
Boston University

Curated by ChEMBL
LigandPNGBDBM50268401(CHEMBL4105584)copy SMILEScopy InChI
Affinity DataIC50: 20nMAssay Description:Inhibition of Hepatitis C virus NS5b RNA polymeraseMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2ZG6WHWPubMed
Target3-hydroxy-3-methylglutaryl-coenzyme A reductase(Homo sapiens (Human))
Boston University

Curated by ChEMBL
LigandPNGBDBM50011036((S)-((1S,7S,8S,8aR)-8-(2-((2R,4R)-4-hydroxy-6-oxo-...)copy SMILEScopy InChI
Affinity DataIC50: 23nMAssay Description:Inhibition of HMG-CoA Reductase (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2ZG6WHWPubMed
TargetRNA-directed RNA polymerase(Hepatitis C virus)
Boston University

Curated by ChEMBL
LigandPNGBDBM50505288(CHEMBL1236660)copy SMILEScopy InChI
Affinity DataIC50: 25nMAssay Description:Inhibition of Hepatitis C virus NS5b RNA polymeraseMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2ZG6WHWPubMed
TargetALK tyrosine kinase receptor(Homo sapiens (Human))
Boston University

Curated by ChEMBL
LigandPNGBDBM50439154(CHEMBL2418761)copy SMILEScopy InChI
Affinity DataIC50: 29nMAssay Description:Inhibition of ALK (unknown origin)More data for this Ligand-Target Pair
TargetApoptosis regulator Bcl-2(Homo sapiens (Human))
Boston University

Curated by ChEMBL
LigandPNGBDBM50254585(1-(2-((S)-3-(aminomethyl)-1,2,3,4-tetrahydroisoqui...)copy SMILEScopy InChI
Affinity DataIC50: 30nMAssay Description:Inhibition of Bcl2 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2ZG6WHWPubMed
TargetTyrosine-protein phosphatase non-receptor type 1(Homo sapiens (Human))
Stony Brook University

Curated by ChEMBL
LigandPNGBDBM13604(6-{4-[2-(1H-1,2,3-benzotriazol-1-yl)-3-{4-[difluor...)copy SMILEScopy InChI
Affinity DataIC50: 39nMAssay Description:Inhibition of PTP1B (unknown origin)More data for this Ligand-Target Pair
TargetTyrosine-protein phosphatase non-receptor type 1(Homo sapiens (Human))
Stony Brook University

Curated by ChEMBL
LigandPNGBDBM50500146(CHEMBL3747361)copy SMILEScopy InChI
Affinity DataIC50: 64nMAssay Description:Inhibition of PTP1B (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q24T6NC6PubMed
TargetProthrombin(Homo sapiens (Human))
Boston University

Curated by ChEMBL
LigandPNGBDBM50505287(CHEMBL1229657)copy SMILEScopy InChI
Affinity DataIC50: 130nMAssay Description:Inhibition of thrombin (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetBreakpoint cluster region protein/Tyrosine-protein kinase ABL1(Homo sapiens (Human))
University of California

Curated by ChEMBL
LigandPNGBDBM50325999(3-(6-(4-(trifluoromethoxy)phenylamino)pyrimidin-4-...)copy SMILEScopy InChI
Affinity DataIC50: 267nMAssay Description:Inhibition of wild-type BCR-ABL (unknown origin) expressed in mouse Ba/F3 cells as cell growth inhibition after 48 hrs by MTT assayMore data for this Ligand-Target Pair
TargetMitogen-activated protein kinase 8(Homo sapiens (Human))
University of California

Curated by ChEMBL
LigandPNGBDBM50526695(BI-78D3 | CHEMBL508280)copy SMILEScopy InChI
Affinity DataIC50: 280nMAssay Description:Inhibition of JNK1 (unknown origin) using ATF2 as substrate after 1 hr by Lanthascreen TR-FRET assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q25X2DC4PubMed
TargetALK tyrosine kinase receptor(Homo sapiens (Human))
Boston University

Curated by ChEMBL
LigandPNGBDBM50173123(CHEMBL3810133)copy SMILEScopy InChI
Affinity DataIC50: 402nMAssay Description:Inhibition of ALK (unknown origin)More data for this Ligand-Target Pair
TargetMitogen-activated protein kinase 14(Homo sapiens (Human))
University of California

Curated by ChEMBL
LigandPNGBDBM50526696(CHEMBL4459106)copy SMILEScopy InChI
Affinity DataIC50: 1.20E+3nMAssay Description:Inhibition of wild-type human P38alpha MAPK expressed in Escherichia coli Rosetta cellsMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q25X2DC4PubMed
TargetMitogen-activated protein kinase 14(Homo sapiens (Human))
University of California

Curated by ChEMBL
LigandPNGBDBM50526693(CHEMBL4445946)copy SMILEScopy InChI
Affinity DataIC50: 1.20E+3nMAssay Description:Inhibition of wild-type human P38alpha MAPK expressed in Escherichia coli Rosetta cellsMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q25X2DC4PubMed
TargetMitogen-activated protein kinase 14(Homo sapiens (Human))
University of California

Curated by ChEMBL
LigandPNGBDBM50431630(KRX-0401 | PERIFOSINE)copy SMILEScopy InChI
Affinity DataIC50: 1.20E+3nMAssay Description:Inhibition of wild-type human P38alpha MAPK expressed in Escherichia coli Rosetta cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q25X2DC4PubMed
TargetDNA-(apurinic or apyrimidinic site) endonuclease(Homo sapiens (Human))
Boston University

Curated by ChEMBL
LigandPNGBDBM50530042(CHEMBL4517868)copy SMILEScopy InChI
Affinity DataIC50: 1.20E+3nMAssay Description:Inhibition of full length human APE1 assessed as reduction in endonuclease activity by measuring DNA cleavage of abasic sites using 6-FAM labelled tw...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2G73J6TPubMed
TargetDNA-(apurinic or apyrimidinic site) endonuclease(Homo sapiens (Human))
Boston University

Curated by ChEMBL
LigandPNGBDBM50530042(CHEMBL4517868)copy SMILEScopy InChI
Affinity DataIC50: 1.20E+3nMAssay Description:Inhibition of full length human APE1 assessed as reduction in endonuclease activity by measuring DNA cleavage of abasic sites using 6-FAM labelled tw...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2G73J6TPubMed
TargetDNA-(apurinic or apyrimidinic site) endonuclease(Homo sapiens (Human))
Boston University

Curated by ChEMBL
LigandPNGBDBM50530037(CHEMBL4473257)copy SMILEScopy InChI
Affinity DataIC50: 1.30E+3nMAssay Description:Inhibition of full length human APE1 assessed as reduction in endonuclease activity by measuring DNA cleavage of abasic sites using 6-FAM labelled tw...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2G73J6TPubMed
TargetDNA-(apurinic or apyrimidinic site) endonuclease(Homo sapiens (Human))
Boston University

Curated by ChEMBL
LigandPNGBDBM50530037(CHEMBL4473257)copy SMILEScopy InChI
Affinity DataIC50: 1.30E+3nMAssay Description:Inhibition of full length human APE1 assessed as reduction in endonuclease activity by measuring DNA cleavage of abasic sites using 6-FAM labelled tw...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2G73J6TPubMed
TargetDNA-(apurinic or apyrimidinic site) endonuclease(Homo sapiens (Human))
Boston University

Curated by ChEMBL
LigandPNGBDBM50530043(CHEMBL4458126)copy SMILEScopy InChI
Affinity DataIC50: 1.80E+3nMAssay Description:Inhibition of full length human APE1 assessed as reduction in endonuclease activity by measuring DNA cleavage of abasic sites using 6-FAM labelled tw...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2G73J6TPubMed
TargetDNA-(apurinic or apyrimidinic site) endonuclease(Homo sapiens (Human))
Boston University

Curated by ChEMBL
LigandPNGBDBM50530043(CHEMBL4458126)copy SMILEScopy InChI
Affinity DataIC50: 1.80E+3nMAssay Description:Inhibition of full length human APE1 assessed as reduction in endonuclease activity by measuring DNA cleavage of abasic sites using 6-FAM labelled tw...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2G73J6TPubMed
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