Compile Data Set for Download or QSAR
Found 90 with Last Name = 'cocklin' and Initial = 's'
TargetAngiotensin-converting enzyme 2(Homo sapiens (Human))TBA
LigandPNGBDBM50422743(CHEMBL5275219)copy SMILEScopy InChI
Affinity DataKi:  2.80nMMore data for this Ligand-Target Pair
In DepthDetails
TargetAngiotensin-converting enzyme 2(Homo sapiens (Human))TBA
LigandPNGBDBM50233798(CHEMBL398940 | N-(2-aminoethyl)-1-aziridine-ethana...)copy SMILEScopy InChI
Affinity DataKi:  4.59E+5nMMore data for this Ligand-Target Pair
In DepthDetails
TargetProcathepsin L(Homo sapiens (Human))TBA
LigandPNGBDBM50552672(CHEMBL4790628)copy SMILES
In DepthDetails
TargetProcathepsin L(Homo sapiens (Human))TBA
LigandPNGBDBM50229129(4-Methyl-piperazine-1-carboxylic acid [(S)-1-((E)-...)copy SMILEScopy InChI
Affinity DataIC50: 0.680nMMore data for this Ligand-Target Pair
In DepthDetails
TargetAngiotensin-converting enzyme 2(Homo sapiens (Human))TBA
LigandPNGBDBM50421866(CHEMBL5281591)copy SMILEScopy InChI
In DepthDetails
TargetAngiotensin-converting enzyme 2(Homo sapiens (Human))TBA
LigandPNGBDBM50421871(CHEMBL5273921)copy SMILEScopy InChI
Affinity DataIC50: 1.90nMMore data for this Ligand-Target Pair
In DepthDetails
TargetProcathepsin L(Homo sapiens (Human))TBA
LigandPNGBDBM50073850((S)-2-((S)-2-Benzyloxycarbonylamino-3-methyl-butyr...)copy SMILEScopy InChI
Affinity DataIC50: 2.5nMMore data for this Ligand-Target Pair
In DepthDetails
TargetAngiotensin-converting enzyme 2(Homo sapiens (Human))TBA
LigandPNGBDBM50421869(CHEMBL5277148)copy SMILEScopy InChI
Affinity DataIC50: 4.30nMMore data for this Ligand-Target Pair
In DepthDetails
TargetProcathepsin L(Homo sapiens (Human))TBA
LigandPNGBDBM51395(CHEMBL263634 | N-[(2S)-1-[[[2-(3,4-dihydro-2H-quin...)copy SMILEScopy InChI
Affinity DataIC50: 6.90nMMore data for this Ligand-Target Pair
In DepthDetails
TargetAngiotensin-converting enzyme 2(Homo sapiens (Human))TBA
LigandPNGBDBM50421870(CHEMBL5281306)copy SMILEScopy InChI
In DepthDetails
TargetAngiotensin-converting enzyme 2(Homo sapiens (Human))TBA
LigandPNGBDBM50422743(CHEMBL5275219)copy SMILEScopy InChI
Affinity DataIC50: 10nMMore data for this Ligand-Target Pair
In DepthDetails
TargetProcathepsin L(Homo sapiens (Human))TBA
LigandPNGBDBM50374666(CHEMBL259450)copy SMILEScopy InChI
Affinity DataIC50: 56nMMore data for this Ligand-Target Pair
In DepthDetails
TargetSpike glycoprotein(2019-nCoV)TBA
LigandPNGBDBM50422742(CHEMBL5274408)copy SMILEScopy InChI
Affinity DataIC50: 100nMMore data for this Ligand-Target Pair
In DepthDetails
TargetAngiotensin-converting enzyme 2(Homo sapiens (Human))TBA
LigandPNGBDBM429226(med.21724, Compound 11)copy SMILEScopy InChI
Affinity DataIC50: 100nMMore data for this Ligand-Target Pair
In DepthDetails
TargetAngiotensin-converting enzyme 2(Homo sapiens (Human))TBA
LigandPNGBDBM429240(med.21724, Compound 12)copy SMILEScopy InChI
Affinity DataIC50: 200nMMore data for this Ligand-Target Pair
In DepthDetails
TargetStructural capsid protein(Human immunodeficiency virus 1)TBA
LigandPNGBDBM50467395(CHEMBL1229713)copy SMILEScopy InChI
Affinity DataIC50: 220nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2KP867FPubMed
TargetAngiotensin-converting enzyme 2(Homo sapiens (Human))TBA
LigandPNGBDBM429241(med.21724, Compound 13)copy SMILEScopy InChI
Affinity DataIC50: 440nMMore data for this Ligand-Target Pair
In DepthDetails
TargetSpike glycoprotein(2019-nCoV)TBA
LigandPNGBDBM50421867(CHEMBL216826)copy SMILEScopy InChI
Affinity DataIC50: 600nMMore data for this Ligand-Target Pair
In DepthDetails
TargetAngiotensin-converting enzyme 2(Homo sapiens (Human))TBA
LigandPNGBDBM50421865(CHEMBL5270175)copy SMILEScopy InChI
Affinity DataIC50: 700nMMore data for this Ligand-Target Pair
In DepthDetails
TargetAngiotensin-converting enzyme 2(Homo sapiens (Human))TBA
LigandPNGBDBM50467780(CHEBI:5801 | Hydroxychloroquine | acs.jmedchem.1c0...)copy SMILEScopy InChI
Affinity DataIC50: 720nMMore data for this Ligand-Target Pair
In DepthDetails
TargetAngiotensin-converting enzyme 2(Homo sapiens (Human))TBA
LigandPNGBDBM22985(Aralen | CHEMBL76 | CHLOROQUINE PHOSPHATE | Chloro...)copy SMILEScopy InChI
Affinity DataIC50: 1.13E+3nMMore data for this Ligand-Target Pair
In DepthDetails
TargetAngiotensin-converting enzyme 2(Homo sapiens (Human))TBA
LigandPNGBDBM429290(med.21724, Compound 26)copy SMILEScopy InChI
Affinity DataIC50: 1.60E+3nMMore data for this Ligand-Target Pair
In DepthDetails
TargetTyrosine-protein kinase ABL2(Homo sapiens (Human))TBA
LigandPNGBDBM13216(BMS-354825 | CHEMBL1421 | DASATINIB | N-(2-Chloro-...)copy SMILEScopy InChI
Affinity DataIC50: 2.10E+3nMMore data for this Ligand-Target Pair
TargetAngiotensin-converting enzyme 2(Homo sapiens (Human))TBA
LigandPNGBDBM428874(med.21724, Compound 1)copy SMILEScopy InChI
Affinity DataIC50: 3.10E+3nMMore data for this Ligand-Target Pair
In DepthDetails
TargetStructural capsid protein(Human immunodeficiency virus 1)TBA
LigandPNGBDBM50599341(CHEMBL5202526)copy SMILES
Affinity DataIC50: 3.47E+3nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2KP867FPubMed
TargetSpike glycoprotein(2019-nCoV)TBA
LigandPNGBDBM83797(6-Bromo-4-dimethylaminomethyl-5-hydroxy-1-methyl-2...)copy SMILEScopy InChI
Affinity DataIC50: 4.11E+3nMMore data for this Ligand-Target Pair
In DepthDetails
TargetSpike glycoprotein(2019-nCoV)TBA
LigandPNGBDBM428875(med.21724, Compound 2)copy SMILEScopy InChI
Affinity DataIC50: 4.50E+3nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails
TargetProcathepsin L(Homo sapiens (Human))TBA
LigandPNGBDBM50376204(CHEMBL401925 | med.21724, Compound 23)copy SMILEScopy InChI
Affinity DataIC50: 5.33E+3nMMore data for this Ligand-Target Pair
In DepthDetails
TargetAngiotensin-converting enzyme 2(Homo sapiens (Human))TBA
LigandPNGBDBM50422742(CHEMBL5274408)copy SMILEScopy InChI
Affinity DataIC50: 6.00E+3nMMore data for this Ligand-Target Pair
In DepthDetails
TargetStructural capsid protein(Human immunodeficiency virus 1)TBA
LigandPNGBDBM50467395(CHEMBL1229713)copy SMILEScopy InChI
Affinity DataIC50: 8.93E+3nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2KP867FPubMed
TargetAngiotensin-converting enzyme 2(Homo sapiens (Human))TBA
LigandPNGBDBM429289(med.21724, Compound 25)copy SMILEScopy InChI
Affinity DataIC50: 9.70E+3nMMore data for this Ligand-Target Pair
In DepthDetails
TargetTyrosine-protein kinase ABL2(Homo sapiens (Human))TBA
LigandPNGBDBM13530(4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[...)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+4nMMore data for this Ligand-Target Pair
TargetProcathepsin L(Homo sapiens (Human))TBA
LigandPNGBDBM50424712(CAMOSTAT | Camostat Mesilate | Foipan)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+4nMMore data for this Ligand-Target Pair
In DepthDetails
TargetSpike glycoprotein(2019-nCoV)TBA
LigandPNGBDBM7459(2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4...)copy SMILEScopy InChI
Affinity DataIC50: 1.06E+4nMMore data for this Ligand-Target Pair
In DepthDetails
TargetStructural capsid protein(Human immunodeficiency virus 1)TBA
LigandPNGBDBM50599341(CHEMBL5202526)copy SMILES
Affinity DataIC50: 2.63E+4nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2KP867FPubMed
TargetDNA repair protein RAD51 homolog 1(Homo sapiens (Human))
Drexel University College of Medicine

Curated by ChEMBL
LigandPNGBDBM48804(3-(phenylmethyl)-2-[(E)-2-(3-pyridinyl)ethenyl]-4-...)copy SMILEScopy InChI
Affinity DataIC50: 3.50E+4nMAssay Description:Inhibition of human RAD51-mediated DNA strand exchange at using pBSK (+) gapped and linear dsDNA substrates by joint molecule formation assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2028SKGPubMed
TargetDNA repair protein RAD51 homolog 1(Homo sapiens (Human))
Drexel University College of Medicine

Curated by ChEMBL
LigandPNGBDBM48804(3-(phenylmethyl)-2-[(E)-2-(3-pyridinyl)ethenyl]-4-...)copy SMILEScopy InChI
Affinity DataIC50: 3.50E+4nMAssay Description:Inhibition of human RAD51-mediated DNA branch migration using [32P]-labeled 5'-joint molecules after 8 hrs by branch migration assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2028SKGPubMed
TargetAngiotensin-converting enzyme 2(Homo sapiens (Human))TBA
LigandPNGBDBM50421872(CHEMBL5284169)copy SMILEScopy InChI
Affinity DataIC50: 5.00E+4nMMore data for this Ligand-Target Pair
In DepthDetails
TargetAngiotensin-converting enzyme 2(Homo sapiens (Human))TBA
LigandPNGBDBM50233798(CHEMBL398940 | N-(2-aminoethyl)-1-aziridine-ethana...)copy SMILEScopy InChI
Affinity DataIC50: 5.70E+4nMMore data for this Ligand-Target Pair
In DepthDetails
TargetStructural capsid protein(Human immunodeficiency virus 1)TBA
LigandPNGBDBM50490577(CHEMBL497058)copy SMILEScopy InChI
Affinity DataIC50: 6.00E+4nMAssay Description:Inhibition of HIV1 capsidMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q25X2CV0PubMed
TargetProcathepsin L(Homo sapiens (Human))TBA
LigandPNGBDBM50421868(CHEMBL5270779)copy SMILEScopy InChI
Affinity DataIC50: 7.50E+4nMMore data for this Ligand-Target Pair
In DepthDetails
TargetSpike glycoprotein(2019-nCoV)TBA
LigandPNGBDBM7460(2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chrome...)copy SMILEScopy InChI
Affinity DataIC50: 8.34E+4nMMore data for this Ligand-Target Pair
In DepthDetails
TargetAngiotensin-converting enzyme 2(Homo sapiens (Human))TBA
LigandPNGBDBM11318(1,3,8-trihydroxy-6-methyl-9,10-dihydroanthracene-9...)copy SMILEScopy InChI
Affinity DataIC50: 2.00E+5nMMore data for this Ligand-Target Pair
In DepthDetails
TargetStructural capsid protein(Human immunodeficiency virus 1)TBA
LigandPNGBDBM50467394(CHEMBL4279975)copy SMILEScopy InChI
Affinity DataKd:  2.82E+4nMAssay Description:Binding affinity to HIV1 NL4-3 N-terminal domain capsid protein by surface plasmon resonanceMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q22R3VC7PubMed
TargetStructural capsid protein(Human immunodeficiency virus 1)TBA
LigandPNGBDBM50467395(CHEMBL1229713)copy SMILEScopy InChI
Affinity DataKd:  3.60E+3nMAssay Description:Binding affinity to HIV1 NL4-3 N-terminal domain capsid protein by surface plasmon resonanceMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q22R3VC7PubMed
TargetStructural capsid protein(Human immunodeficiency virus 1)TBA
LigandPNGBDBM50467394(CHEMBL4279975)copy SMILEScopy InChI
Affinity DataKd:  1.27E+4nMAssay Description:Binding affinity to HIV1 NL4-3 monomeric capsid protein by surface plasmon resonanceMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q22R3VC7PubMed
TargetStructural capsid protein(Human immunodeficiency virus 1)TBA
LigandPNGBDBM50467395(CHEMBL1229713)copy SMILEScopy InChI
Affinity DataKd:  2.70E+3nMAssay Description:Binding affinity to HIV1 NL4-3 monomeric capsid protein by surface plasmon resonanceMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q22R3VC7PubMed
TargetStructural capsid protein(Human immunodeficiency virus 1)TBA
LigandPNGBDBM50467395(CHEMBL1229713)copy SMILEScopy InChI
Affinity DataKd:  64nMAssay Description:Binding affinity to HIV1 NL4-3 hexameric capsid protein by surface plasmon resonanceMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q22R3VC7PubMed
TargetStructural capsid protein(Human immunodeficiency virus 1)TBA
LigandPNGBDBM50467392(CHEMBL4287882)copy SMILEScopy InChI
Affinity DataKd:  2.41E+4nMAssay Description:Binding affinity to HIV1 NL4-3 hexameric capsid protein by surface plasmon resonanceMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q22R3VC7PubMed
TargetStructural capsid protein(Human immunodeficiency virus 1)TBA
LigandPNGBDBM50467393(CHEMBL4278296)copy SMILEScopy InChI
Affinity DataKd:  1.40E+4nMAssay Description:Binding affinity to HIV1 NL4-3 monomeric capsid protein by surface plasmon resonanceMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q22R3VC7PubMed
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