Found 24 hits with Last Name = 'mclellan' and Initial = 'tj' 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 |
|---|
Acyl-CoA desaturase 1
(Rattus norvegicus (Rat)) | BDBM50338523
(CHEMBL1683578 | N-(1-methyl-1H-pyrazol-3-yl)-1-(3-...)Show SMILES Cn1ccc(NC(=O)c2cn(Cc3cccc(c3)C(F)(F)F)cn2)n1 Show InChI InChI=1S/C16H14F3N5O/c1-23-6-5-14(22-23)21-15(25)13-9-24(10-20-13)8-11-3-2-4-12(7-11)16(17,18)19/h2-7,9-10H,8H2,1H3,(H,21,22,25) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of rat liver SCD1 using [3H]-stearoylCoA |
Bioorg Med Chem Lett 21: 1621-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.113
BindingDB Entry DOI: 10.7270/Q2571C9J |
More data for this
Ligand-Target Pair | |
Acyl-CoA desaturase 1
(Rattus norvegicus (Rat)) | BDBM50338522
(5-methyl-N-(1-methyl-1H-pyrazol-3-yl)-1-(3-(triflu...)Show SMILES Cc1c(ncn1Cc1cccc(c1)C(F)(F)F)C(=O)Nc1ccn(C)n1 Show InChI InChI=1S/C17H16F3N5O/c1-11-15(16(26)22-14-6-7-24(2)23-14)21-10-25(11)9-12-4-3-5-13(8-12)17(18,19)20/h3-8,10H,9H2,1-2H3,(H,22,23,26) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 11.8 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of rat liver SCD1 using [3H]-stearoylCoA |
Bioorg Med Chem Lett 21: 1621-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.113
BindingDB Entry DOI: 10.7270/Q2571C9J |
More data for this
Ligand-Target Pair | |
Acyl-CoA desaturase 1
(Rattus norvegicus (Rat)) | BDBM50338524
(1-(4-chloro-3-(trifluoromethyl)benzyl)-N-(1-methyl...)Show SMILES Cn1ccc(NC(=O)c2cn(Cc3ccc(Cl)c(c3)C(F)(F)F)cn2)n1 Show InChI InChI=1S/C16H13ClF3N5O/c1-24-5-4-14(23-24)22-15(26)13-8-25(9-21-13)7-10-2-3-12(17)11(6-10)16(18,19)20/h2-6,8-9H,7H2,1H3,(H,22,23,26) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of rat liver SCD1 using [3H]-stearoylCoA |
Bioorg Med Chem Lett 21: 1621-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.113
BindingDB Entry DOI: 10.7270/Q2571C9J |
More data for this
Ligand-Target Pair | |
Acyl-CoA desaturase 1
(Rattus norvegicus (Rat)) | BDBM50338525
(CHEMBL1683580 | N-(2-methyl-2H-1,2,3-triazol-4-yl)...)Show SMILES Cn1ncc(NC(=O)c2cn(Cc3cccc(c3)C(F)(F)F)cn2)n1 Show InChI InChI=1S/C15H13F3N6O/c1-23-20-6-13(22-23)21-14(25)12-8-24(9-19-12)7-10-3-2-4-11(5-10)15(16,17)18/h2-6,8-9H,7H2,1H3,(H,21,22,25) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of rat liver SCD1 using [3H]-stearoylCoA |
Bioorg Med Chem Lett 21: 1621-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.113
BindingDB Entry DOI: 10.7270/Q2571C9J |
More data for this
Ligand-Target Pair | |
Acyl-CoA desaturase 1
(Rattus norvegicus (Rat)) | BDBM50338521
(CHEMBL1683576 | N-(1-methyl-1H-pyrazol-3-yl)-1-(3-...)Show SMILES Cn1ccc(NC(=O)c2cn(Cc3cccc(OC(F)(F)F)c3)cn2)n1 Show InChI InChI=1S/C16H14F3N5O2/c1-23-6-5-14(22-23)21-15(25)13-9-24(10-20-13)8-11-3-2-4-12(7-11)26-16(17,18)19/h2-7,9-10H,8H2,1H3,(H,21,22,25) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of rat liver SCD1 using [3H]-stearoylCoA |
Bioorg Med Chem Lett 21: 1621-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.113
BindingDB Entry DOI: 10.7270/Q2571C9J |
More data for this
Ligand-Target Pair | |
Acyl-CoA desaturase 1
(Rattus norvegicus (Rat)) | BDBM50338532
(1-(4-chloro-3-(trifluoromethyl)benzyl)-N-(1-methyl...)Show SMILES Cn1ccc(NC(=O)c2cn(Cc3ccc(Cl)c(c3)C(F)(F)F)nn2)n1 Show InChI InChI=1S/C15H12ClF3N6O/c1-24-5-4-13(22-24)20-14(26)12-8-25(23-21-12)7-9-2-3-11(16)10(6-9)15(17,18)19/h2-6,8H,7H2,1H3,(H,20,22,26) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 33 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of rat liver SCD1 using [3H]-stearoylCoA |
Bioorg Med Chem Lett 21: 1621-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.113
BindingDB Entry DOI: 10.7270/Q2571C9J |
More data for this
Ligand-Target Pair | |
Acyl-CoA desaturase 1
(Rattus norvegicus (Rat)) | BDBM50338526
(1-(3-chlorobenzyl)-N-(1-methyl-1H-pyrazol-3-yl)-1H...)Show InChI InChI=1S/C15H14ClN5O/c1-20-6-5-14(19-20)18-15(22)13-9-21(10-17-13)8-11-3-2-4-12(16)7-11/h2-7,9-10H,8H2,1H3,(H,18,19,22) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 57 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of rat liver SCD1 using [3H]-stearoylCoA |
Bioorg Med Chem Lett 21: 1621-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.113
BindingDB Entry DOI: 10.7270/Q2571C9J |
More data for this
Ligand-Target Pair | |
Acyl-CoA desaturase 1
(Rattus norvegicus (Rat)) | BDBM50338527
(1-(4-chloro-3-(trifluoromethyl)benzyl)-N-(1-methyl...)Show SMILES Cn1cnc(NC(=O)c2cn(Cc3ccc(Cl)c(c3)C(F)(F)F)cn2)n1 Show InChI InChI=1S/C15H12ClF3N6O/c1-24-7-21-14(23-24)22-13(26)12-6-25(8-20-12)5-9-2-3-11(16)10(4-9)15(17,18)19/h2-4,6-8H,5H2,1H3,(H,22,23,26) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 63 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of rat liver SCD1 using [3H]-stearoylCoA |
Bioorg Med Chem Lett 21: 1621-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.113
BindingDB Entry DOI: 10.7270/Q2571C9J |
More data for this
Ligand-Target Pair | |
Acyl-CoA desaturase 1
(Rattus norvegicus (Rat)) | BDBM50338531
(1-(4-chloro-3-(trifluoromethyl)benzyl)-N-(1-methyl...)Show SMILES Cn1ccc(NC(=O)c2cnn(Cc3ccc(Cl)c(c3)C(F)(F)F)c2)n1 Show InChI InChI=1S/C16H13ClF3N5O/c1-24-5-4-14(23-24)22-15(26)11-7-21-25(9-11)8-10-2-3-13(17)12(6-10)16(18,19)20/h2-7,9H,8H2,1H3,(H,22,23,26) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 63 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of rat liver SCD1 using [3H]-stearoylCoA |
Bioorg Med Chem Lett 21: 1621-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.113
BindingDB Entry DOI: 10.7270/Q2571C9J |
More data for this
Ligand-Target Pair | |
Acyl-CoA desaturase 1
(Rattus norvegicus (Rat)) | BDBM50338520
(1-(4-chlorobenzyl)-N-(diaminomethylene)-5-methyl-1...)Show InChI InChI=1S/C13H14ClN5O/c1-8-11(12(20)18-13(15)16)17-7-19(8)6-9-2-4-10(14)5-3-9/h2-5,7H,6H2,1H3,(H4,15,16,18,20) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 68 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of rat liver SCD1 assessed as formation of deuterated oleoylCoA by HTMS assay |
Bioorg Med Chem Lett 21: 1621-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.113
BindingDB Entry DOI: 10.7270/Q2571C9J |
More data for this
Ligand-Target Pair | |
Stearoyl-CoA desaturase
(Homo sapiens (Human)) | BDBM50338521
(CHEMBL1683576 | N-(1-methyl-1H-pyrazol-3-yl)-1-(3-...)Show SMILES Cn1ccc(NC(=O)c2cn(Cc3cccc(OC(F)(F)F)c3)cn2)n1 Show InChI InChI=1S/C16H14F3N5O2/c1-23-6-5-14(22-23)21-15(25)13-9-24(10-20-13)8-11-3-2-4-12(7-11)26-16(17,18)19/h2-7,9-10H,8H2,1H3,(H,21,22,25) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 88 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human SCD1 |
Bioorg Med Chem Lett 21: 1621-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.113
BindingDB Entry DOI: 10.7270/Q2571C9J |
More data for this
Ligand-Target Pair | |
Acyl-CoA desaturase 1
(Rattus norvegicus (Rat)) | BDBM50338520
(1-(4-chlorobenzyl)-N-(diaminomethylene)-5-methyl-1...)Show InChI InChI=1S/C13H14ClN5O/c1-8-11(12(20)18-13(15)16)17-7-19(8)6-9-2-4-10(14)5-3-9/h2-5,7H,6H2,1H3,(H4,15,16,18,20) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 94 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of rat liver SCD1 using [3H]-stearoylCoA |
Bioorg Med Chem Lett 21: 1621-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.113
BindingDB Entry DOI: 10.7270/Q2571C9J |
More data for this
Ligand-Target Pair | |
Acyl-CoA desaturase 1
(Rattus norvegicus (Rat)) | BDBM50338528
(1-((1-(cyclopropylmethyl)cyclobutyl)methyl)-N-(1-m...)Show InChI InChI=1S/C17H23N5O/c1-21-8-5-15(20-21)19-16(23)14-10-22(12-18-14)11-17(6-2-7-17)9-13-3-4-13/h5,8,10,12-13H,2-4,6-7,9,11H2,1H3,(H,19,20,23) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 101 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of rat liver SCD1 using [3H]-stearoylCoA |
Bioorg Med Chem Lett 21: 1621-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.113
BindingDB Entry DOI: 10.7270/Q2571C9J |
More data for this
Ligand-Target Pair | |
Acyl-CoA desaturase 1
(Rattus norvegicus (Rat)) | BDBM50338533
(CHEMBL1683588 | N-(1-methyl-1H-pyrazol-3-yl)-1-(3-...)Show SMILES Cn1ccc(NC(=O)c2ncn(Cc3cccc(c3)C(F)(F)F)n2)n1 Show InChI InChI=1S/C15H13F3N6O/c1-23-6-5-12(21-23)20-14(25)13-19-9-24(22-13)8-10-3-2-4-11(7-10)15(16,17)18/h2-7,9H,8H2,1H3,(H,20,21,25) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 113 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of rat liver SCD1 using [3H]-stearoylCoA |
Bioorg Med Chem Lett 21: 1621-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.113
BindingDB Entry DOI: 10.7270/Q2571C9J |
More data for this
Ligand-Target Pair | |
Acyl-CoA desaturase 1
(Rattus norvegicus (Rat)) | BDBM50338529
(1-(2-chlorophenethyl)-N-(1-methyl-1H-pyrazol-3-yl)...)Show InChI InChI=1S/C16H16ClN5O/c1-21-8-7-15(20-21)19-16(23)14-10-22(11-18-14)9-6-12-4-2-3-5-13(12)17/h2-5,7-8,10-11H,6,9H2,1H3,(H,19,20,23) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 126 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of rat liver SCD1 using [3H]-stearoylCoA |
Bioorg Med Chem Lett 21: 1621-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.113
BindingDB Entry DOI: 10.7270/Q2571C9J |
More data for this
Ligand-Target Pair | |
Stearoyl-CoA desaturase
(Homo sapiens (Human)) | BDBM50338520
(1-(4-chlorobenzyl)-N-(diaminomethylene)-5-methyl-1...)Show InChI InChI=1S/C13H14ClN5O/c1-8-11(12(20)18-13(15)16)17-7-19(8)6-9-2-4-10(14)5-3-9/h2-5,7H,6H2,1H3,(H4,15,16,18,20) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 217 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human SCD1 |
Bioorg Med Chem Lett 21: 1621-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.113
BindingDB Entry DOI: 10.7270/Q2571C9J |
More data for this
Ligand-Target Pair | |
Acyl-CoA desaturase 1
(Rattus norvegicus (Rat)) | BDBM50338534
(CHEMBL1683589 | N-(1-methyl-1H-pyrazol-3-yl)-1-(3-...)Show SMILES Cn1ccc(NC(=O)c2ccn(Cc3cccc(c3)C(F)(F)F)n2)n1 Show InChI InChI=1S/C16H14F3N5O/c1-23-7-6-14(22-23)20-15(25)13-5-8-24(21-13)10-11-3-2-4-12(9-11)16(17,18)19/h2-9H,10H2,1H3,(H,20,22,25) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.14E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of rat liver SCD1 using [3H]-stearoylCoA |
Bioorg Med Chem Lett 21: 1621-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.113
BindingDB Entry DOI: 10.7270/Q2571C9J |
More data for this
Ligand-Target Pair | |
Acyl-CoA desaturase 1
(Rattus norvegicus (Rat)) | BDBM50338530
(CHEMBL1683585 | N-(2-acetamidoethyl)-1-(4-fluoro-3...)Show SMILES CC(=O)NCCNC(=O)c1cn(Cc2ccc(F)c(c2)C(F)(F)F)cn1 Show InChI InChI=1S/C16H16F4N4O2/c1-10(25)21-4-5-22-15(26)14-8-24(9-23-14)7-11-2-3-13(17)12(6-11)16(18,19)20/h2-3,6,8-9H,4-5,7H2,1H3,(H,21,25)(H,22,26) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.75E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of rat liver SCD1 using [3H]-stearoylCoA |
Bioorg Med Chem Lett 21: 1621-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.113
BindingDB Entry DOI: 10.7270/Q2571C9J |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50338522
(5-methyl-N-(1-methyl-1H-pyrazol-3-yl)-1-(3-(triflu...)Show SMILES Cc1c(ncn1Cc1cccc(c1)C(F)(F)F)C(=O)Nc1ccn(C)n1 Show InChI InChI=1S/C17H16F3N5O/c1-11-15(16(26)22-14-6-7-24(2)23-14)21-10-25(11)9-12-4-3-5-13(8-12)17(18,19)20/h3-8,10H,9H2,1-2H3,(H,22,23,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.89E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by patch clamp assay |
Bioorg Med Chem Lett 21: 1621-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.113
BindingDB Entry DOI: 10.7270/Q2571C9J |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50338522
(5-methyl-N-(1-methyl-1H-pyrazol-3-yl)-1-(3-(triflu...)Show SMILES Cc1c(ncn1Cc1cccc(c1)C(F)(F)F)C(=O)Nc1ccn(C)n1 Show InChI InChI=1S/C17H16F3N5O/c1-11-15(16(26)22-14-6-7-24(2)23-14)21-10-25(11)9-12-4-3-5-13(8-12)17(18,19)20/h3-8,10H,9H2,1-2H3,(H,22,23,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP1A2 |
Bioorg Med Chem Lett 21: 1621-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.113
BindingDB Entry DOI: 10.7270/Q2571C9J |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50338522
(5-methyl-N-(1-methyl-1H-pyrazol-3-yl)-1-(3-(triflu...)Show SMILES Cc1c(ncn1Cc1cccc(c1)C(F)(F)F)C(=O)Nc1ccn(C)n1 Show InChI InChI=1S/C17H16F3N5O/c1-11-15(16(26)22-14-6-7-24(2)23-14)21-10-25(11)9-12-4-3-5-13(8-12)17(18,19)20/h3-8,10H,9H2,1-2H3,(H,22,23,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 |
Bioorg Med Chem Lett 21: 1621-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.113
BindingDB Entry DOI: 10.7270/Q2571C9J |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50338522
(5-methyl-N-(1-methyl-1H-pyrazol-3-yl)-1-(3-(triflu...)Show SMILES Cc1c(ncn1Cc1cccc(c1)C(F)(F)F)C(=O)Nc1ccn(C)n1 Show InChI InChI=1S/C17H16F3N5O/c1-11-15(16(26)22-14-6-7-24(2)23-14)21-10-25(11)9-12-4-3-5-13(8-12)17(18,19)20/h3-8,10H,9H2,1-2H3,(H,22,23,26) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 |
Bioorg Med Chem Lett 21: 1621-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.113
BindingDB Entry DOI: 10.7270/Q2571C9J |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50338522
(5-methyl-N-(1-methyl-1H-pyrazol-3-yl)-1-(3-(triflu...)Show SMILES Cc1c(ncn1Cc1cccc(c1)C(F)(F)F)C(=O)Nc1ccn(C)n1 Show InChI InChI=1S/C17H16F3N5O/c1-11-15(16(26)22-14-6-7-24(2)23-14)21-10-25(11)9-12-4-3-5-13(8-12)17(18,19)20/h3-8,10H,9H2,1-2H3,(H,22,23,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 |
Bioorg Med Chem Lett 21: 1621-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.113
BindingDB Entry DOI: 10.7270/Q2571C9J |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50338522
(5-methyl-N-(1-methyl-1H-pyrazol-3-yl)-1-(3-(triflu...)Show SMILES Cc1c(ncn1Cc1cccc(c1)C(F)(F)F)C(=O)Nc1ccn(C)n1 Show InChI InChI=1S/C17H16F3N5O/c1-11-15(16(26)22-14-6-7-24(2)23-14)21-10-25(11)9-12-4-3-5-13(8-12)17(18,19)20/h3-8,10H,9H2,1-2H3,(H,22,23,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C19 |
Bioorg Med Chem Lett 21: 1621-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.113
BindingDB Entry DOI: 10.7270/Q2571C9J |
More data for this
Ligand-Target Pair | |
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