Compile Data Set for Download or QSAR
maximum 50k data
Found 245 with Last Name = 'obach' and Initial = 'rs'
TargetReplicase polyprotein 1ab(BtCoV)
Pfizer

LigandPNGBDBM420298(CVD-0006356 | PF-00835231 | PF-0835231 | US1152494...)
Affinity DataKi:  0.0330nMAssay Description:PF-00835231 was evaluated against 3CLpro from a variety of other coronaviruses representing alpha, beta and gamma groups of Coronaviridae, using bioc...More data for this Ligand-Target Pair
Ligand InfoPurchasePDB
In DepthDetails ArticlePubMed
TargetReplicase polyprotein 1ab(BtCoV)
Pfizer

LigandPNGBDBM420298(CVD-0006356 | PF-00835231 | PF-0835231 | US1152494...)
Affinity DataKi:  0.0340nMAssay Description:PF-00835231 was evaluated against 3CLpro from a variety of other coronaviruses representing alpha, beta and gamma groups of Coronaviridae, using bioc...More data for this Ligand-Target Pair
Ligand InfoPurchasePDB
In DepthDetails ArticlePubMed
TargetReplicase polyprotein 1ab(Feline coronavirus (strain FIPV WSU-79/1146) (FCoV...)
Pfizer

LigandPNGBDBM420298(CVD-0006356 | PF-00835231 | PF-0835231 | US1152494...)
Affinity DataKi:  0.120nMAssay Description:PF-00835231 was evaluated against 3CLpro from a variety of other coronaviruses representing alpha, beta and gamma groups of Coronaviridae, using bioc...More data for this Ligand-Target Pair
Ligand InfoPurchasePDB
In DepthDetails ArticlePubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Pfizer

LigandPNGBDBM420298(CVD-0006356 | PF-00835231 | PF-0835231 | US1152494...)
Affinity DataKi:  0.270nMAssay Description:PF-00835231 was evaluated against 3CLpro from a variety of other coronaviruses representing alpha, beta and gamma groups of Coronaviridae, using bioc...More data for this Ligand-Target Pair
Ligand InfoPurchasePDB
TargetReplicase polyprotein 1ab(2019-nCoV)
Pfizer

LigandPNGBDBM420298(CVD-0006356 | PF-00835231 | PF-0835231 | US1152494...)
Affinity DataKi:  0.270nMAssay Description:The respective human coronavirus Mpro in assay buffer (20 mM Tris-HCl, pH 7.3, 100 mM NaCl, 1 mM EDTA, 5 mM TCEP) and 0.1% BSA was added to assay-rea...More data for this Ligand-Target Pair
Ligand InfoPurchasePDB
In DepthDetails PDB3D3D Structure (crystal)
TargetReplicase polyprotein 1ab(PEDV)
Pfizer

LigandPNGBDBM420298(CVD-0006356 | PF-00835231 | PF-0835231 | US1152494...)
Affinity DataKi:  0.300nMAssay Description:PF-00835231 was evaluated against 3CLpro from a variety of other coronaviruses representing alpha, beta and gamma groups of Coronaviridae, using bioc...More data for this Ligand-Target Pair
Ligand InfoPurchasePDB
In DepthDetails ArticlePubMed
TargetReplicase polyprotein 1ab(HCoV-OC43)
Pfizer

LigandPNGBDBM420298(CVD-0006356 | PF-00835231 | PF-0835231 | US1152494...)
Affinity DataKi:  0.510nMAssay Description:PF-00835231 was evaluated against 3CLpro from a variety of other coronaviruses representing alpha, beta and gamma groups of Coronaviridae, using bioc...More data for this Ligand-Target Pair
Ligand InfoPurchasePDB
In DepthDetails ArticlePubMed
TargetReplicase polyprotein 1ab(BtCoV)
Pfizer

LigandPNGBDBM420298(CVD-0006356 | PF-00835231 | PF-0835231 | US1152494...)
Affinity DataKi:  0.740nMAssay Description:PF-00835231 was evaluated against 3CLpro from a variety of other coronaviruses representing alpha, beta and gamma groups of Coronaviridae, using bioc...More data for this Ligand-Target Pair
Ligand InfoPurchasePDB
In DepthDetails ArticlePubMed
TargetReplicase polyprotein 1ab(HCoV-NL63)
Pfizer

LigandPNGBDBM420298(CVD-0006356 | PF-00835231 | PF-0835231 | US1152494...)
Affinity DataKi:  0.770nMAssay Description:PF-00835231 was evaluated against 3CLpro from a variety of other coronaviruses representing alpha, beta and gamma groups of Coronaviridae, using bioc...More data for this Ligand-Target Pair
Ligand InfoPurchasePDB
In DepthDetails ArticlePubMed
TargetReplicase polyprotein 1ab(HCoV-HKU1)
Pfizer

LigandPNGBDBM420298(CVD-0006356 | PF-00835231 | PF-0835231 | US1152494...)
Affinity DataKi:  0.850nMAssay Description:PF-00835231 was evaluated against 3CLpro from a variety of other coronaviruses representing alpha, beta and gamma groups of Coronaviridae, using bioc...More data for this Ligand-Target Pair
Ligand InfoPurchasePDB
In DepthDetails ArticlePubMed
TargetReplicase polyprotein 1ab(MHV-A59)
Pfizer

LigandPNGBDBM420298(CVD-0006356 | PF-00835231 | PF-0835231 | US1152494...)
Affinity DataKi:  1.20nMAssay Description:PF-00835231 was evaluated against 3CLpro from a variety of other coronaviruses representing alpha, beta and gamma groups of Coronaviridae, using bioc...More data for this Ligand-Target Pair
Ligand InfoPurchasePDB
In DepthDetails ArticlePubMed
TargetReplicase polyprotein 1ab(HCoV-229E)
Pfizer

LigandPNGBDBM420298(CVD-0006356 | PF-00835231 | PF-0835231 | US1152494...)
Affinity DataKi:  1.5nMAssay Description:PF-00835231 was evaluated against 3CLpro from a variety of other coronaviruses representing alpha, beta and gamma groups of Coronaviridae, using bioc...More data for this Ligand-Target Pair
Ligand InfoPurchasePDB
In DepthDetails ArticlePubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Pfizer

LigandPNGBDBM496902(CVD-0018409 | PF-07321332 | US11351149, Example 13...)
Affinity DataKi:  3.11nMAssay Description:The respective human coronavirus Mpro in assay buffer (20 mM Tris-HCl, pH 7.3, 100 mM NaCl, 1 mM EDTA, 5 mM TCEP) and 0.1% BSA was added to assay-rea...More data for this Ligand-Target Pair
In DepthDetails PDB3D3D Structure (crystal)
TargetReplicase polyprotein 1ab(IBV)
Pfizer

LigandPNGBDBM420298(CVD-0006356 | PF-00835231 | PF-0835231 | US1152494...)
Affinity DataKi:  4nMAssay Description:PF-00835231 was evaluated against 3CLpro from a variety of other coronaviruses representing alpha, beta and gamma groups of Coronaviridae, using bioc...More data for this Ligand-Target Pair
Ligand InfoPurchasePDB
In DepthDetails ArticlePubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Pfizer

LigandPNGBDBM496900(science.abl4784, 4)
Affinity DataKi:  7.93nMAssay Description:The respective human coronavirus Mpro in assay buffer (20 mM Tris-HCl, pH 7.3, 100 mM NaCl, 1 mM EDTA, 5 mM TCEP) and 0.1% BSA was added to assay-rea...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails
TargetReplicase polyprotein 1ab(2019-nCoV)
Pfizer

LigandPNGBDBM496901(science.abl4784, 5)
Affinity DataKi:  12nMAssay Description:The respective human coronavirus Mpro in assay buffer (20 mM Tris-HCl, pH 7.3, 100 mM NaCl, 1 mM EDTA, 5 mM TCEP) and 0.1% BSA was added to assay-rea...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails
TargetReplicase polyprotein 1ab(2019-nCoV)
Pfizer

LigandPNGBDBM496896(US11312704, Compound 101 | US11351149, Example 49 ...)
Affinity DataKi:  28nMAssay Description:The respective human coronavirus Mpro in assay buffer (20 mM Tris-HCl, pH 7.3, 100 mM NaCl, 1 mM EDTA, 5 mM TCEP) and 0.1% BSA was added to assay-rea...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails
TargetAldehyde oxidase 1(Rattus norvegicus)
Pfizer

Curated by ChEMBL
LigandPNGBDBM82507((+/-)-Methadone | CAS_5967-73-7 | METHADONE | Meth...)
Affinity DataKi:  30nMAssay Description:Inhibition of rat aldehyde oxidaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAldehyde oxidase 1(Oryctolagus cuniculus)
Pfizer

Curated by ChEMBL
LigandPNGBDBM87351(Amsacrine hydrochloride | CHEMBL43 | MLS002153376 ...)
Affinity DataKi:  60nMAssay Description:Inhibition of rabbit aldehyde oxidaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50004704((+)-cis-Diltiazem | (2S,3S)-5-(2-(dimethylamino)et...)
Affinity DataKi:  100nMAssay Description:Inhibition of CYP3A4-mediated N-demethylation in human liver microsomesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetCytochrome P450 3A4(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50088503(CHEMBL3527048)
Affinity DataKi:  120nMAssay Description:Inhibition of midazolam 1'-hydroxylase activity of human recombinant CYP3A4 harboring human P450 oxidoreductase and b5 assessed as decrease in enzyme...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM520(1,3-thiazol-5-ylmethyl N-[(2S,3S,5S)-3-hydroxy-5-[...)
Affinity DataKi:  170nMAssay Description:Time dependent inhibition of CYP3A4-mediated testosterone-6-beta hydroxylation in human liver microsomeMore data for this Ligand-Target Pair
TargetCytochrome P450 3A4(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50088503(CHEMBL3527048)
Affinity DataKi:  170nMAssay Description:Inhibition of testosterone 6beta-hydroxylase activity of human recombinant CYP3A4 in presence of human P450 oxidoreductase and b5 assessed as decreas...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Pfizer

LigandPNGBDBM496897(science.abl4784, 3)
Affinity DataKi:  230nMAssay Description:The respective human coronavirus Mpro in assay buffer (20 mM Tris-HCl, pH 7.3, 100 mM NaCl, 1 mM EDTA, 5 mM TCEP) and 0.1% BSA was added to assay-rea...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails
TargetCytochrome P450 3A4(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM577((3S)-oxolan-3-yl N-[(2S,3R)-4-[(4-aminobenzene)(2-...)
Affinity DataKi:  370nMAssay Description:Time dependent inhibition of CYP3A4-mediated testosterone-6-beta hydroxylation in human liver microsomeMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2B6(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50397662(CLOPIDOGREL)
Affinity DataKi:  500nMAssay Description:Time dependent inhibition of CYP2B6 in human liver microsomesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetCytochrome P450 3A4(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM519((2S)-N-[(2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarba...)
Affinity DataKi:  650nMAssay Description:Time dependent inhibition of CYP3A4-mediated testosterone-6-beta hydroxylation in human liver microsomeMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50366785(NELFINAVIR)
Affinity DataKi:  1.00E+3nMAssay Description:Time dependent inhibition of CYP3A4-mediated testosterone-6-beta hydroxylation in human liver microsomeMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50069447(1-(3-(4-(m-Chlorophenyl)-1-piperazinyl)propyl)-3-e...)
Affinity DataKi:  1.00E+3nMAssay Description:Time dependent inhibition of CYP3A4More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetCytochrome P450 3A4(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM578((2S)-N-[(2S,4S,5S)-5-[2-(2,6-dimethylphenoxy)aceta...)
Affinity DataKi:  1.00E+3nMAssay Description:Time dependent inhibition of CYP3A4-mediated testosterone-6-beta hydroxylation in human liver microsomeMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A5(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50088503(CHEMBL3527048)
Affinity DataKi:  1.20E+3nMAssay Description:Inhibition of testosterone 6beta-hydroxylase activity of human recombinant CYP3A5 in presence of human P450 oxidoreductase and b5 assessed as decreas...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM5445(CHEMBL554 | GW572016 | LAPATINIB DITOSYLATE | Lapa...)
Affinity DataKi:  1.70E+3nMAssay Description:Time dependent inhibition of CYP3A4 in human liver microsomes assessed as quasi-irreversible complex formationMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetCytochrome P450 3A5(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50088503(CHEMBL3527048)
Affinity DataKi:  2.00E+3nMAssay Description:Inhibition of midazolam 1'-hydroxylase activity of human recombinant CYP3A5 harboring human P450 oxidoreductase and b5 assessed as decrease in enzyme...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50117922((1S,2S)-2-(2-((3-(1H-benzo[d]imidazol-2-yl)propyl)...)
Affinity DataKi:  2.30E+3nMAssay Description:Time dependent inhibition of CYP3A4More data for this Ligand-Target Pair
TargetAldehyde oxidase 1(Rattus norvegicus)
Pfizer

Curated by ChEMBL
LigandPNGBDBM17292((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)
Affinity DataKi:  3.00E+3nMAssay Description:Inhibition of rat aldehyde oxidaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C19(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM85509(CAS_55142-85-3 | NSC_5472 | Ticlopidine)
Affinity DataKi:  3.30E+3nMAssay Description:Time dependent inhibition of CYP2C19More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetAldehyde oxidase 1(Oryctolagus cuniculus)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50332779(6,6'-azopurine | CHEMBL1630858)
Affinity DataKi:  3.30E+3nMAssay Description:Inhibition of rabbit aldehyde oxidaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM13216(BMS-354825 | CHEMBL1421 | DASATINIB | N-(2-Chloro-...)
Affinity DataKi:  6.30E+3nMAssay Description:Time dependent inhibition of CYP3A4 in human liver microsomesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetCytochrome P450 3A4(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM5446(CHEMBL553 | ERLOTINIB HYDROCHLORIDE | Erlotinib | ...)
Affinity DataKi:  6.30E+3nMAssay Description:Time dependent inhibition of CYP3A4More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetCytochrome P450 3A4(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM19441(2-(4-hydroxyphenyl)-3-({4-[2-(piperidin-1-yl)ethox...)
Affinity DataKi:  9.90E+3nMAssay Description:Inhibition of CYP3A4 in human liver microsomesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetCytochrome P450 3A4(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50318884(CHEMBL1084546 | CHEMBL2430359 | N-methyl-N-(3-((2-...)
Affinity DataKi:  1.20E+4nMAssay Description:Time dependent inhibition of CYP3A4 in human liver microsomesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C19(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50397662(CLOPIDOGREL)
Affinity DataKi:  1.43E+4nMAssay Description:Time dependent inhibition of CYP2C19More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetCytochrome P450 3A4(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM13530(4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[...)
Affinity DataKi:  1.43E+4nMAssay Description:Inhibition of CYP3A4-mediated midazolam 1'-hydroxylationMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetCytochrome P450 3A4(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50397664(CHEMBL2181816)
Affinity DataKi:  1.80E+4nMAssay Description:Inhibition of CYP3A4 in human liver microsomes in presence of NADPHMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C8(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50397663(CHEMBL2181817)
Affinity DataKi:  2.00E+4nMAssay Description:Time dependent inhibition of CYP2C8 in human liver microsomesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50168724(1-[(R)-2-[((1S,2S)-1-Amino-1,2,3,4-tetrahydro-naph...)
Affinity DataKi:  2.30E+4nMAssay Description:Time dependent inhibition of CYP3A4More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAldehyde oxidase(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM86521(CAS_5719 | NSC_5719 | Zaleplon)
Affinity DataKi:  8.30E+4nMAssay Description:Inhibition of aldehyde oxidase in human liver cytosol assessed as production of oxozoniporideMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetAldehyde oxidase(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM22889((Cimetidine) N-Methyl-N''''-[2-(5-methyl-1H-imidaz...)
Affinity DataKi:  1.55E+5nMAssay Description:Inhibition of human aldehyde oxidaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetcGMP-dependent 3',5'-cyclic phosphodiesterase(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50166893(2-(3,4-Dimethoxy-benzyl)-7-[(R)-1-((R)-1-hydroxy-e...)
Affinity DataIC50:  0.0300nMAssay Description:Inhibition of human PDE2A1 using 3',5'-[3H]cGMP as substrate after 30 mins by scintillation proximity assayMore data for this Ligand-Target Pair
TargetcGMP-dependent 3',5'-cyclic phosphodiesterase(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50263751(CHEMBL4071033)
Affinity DataIC50:  0.0600nMAssay Description:Inhibition of human PDE2A1 using 3',5'-[3H]cGMP as substrate after 30 mins by scintillation proximity assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Displayed 1 to 50 (of 245 total ) | Next | Last >>
Jump to: