Found 23 hits of Enzyme Inhibition Constant Data 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 |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50446472
(CHEMBL3110021 | US9765054, Compound 41B)Show SMILES ONC(=O)[C@@H]1[C@@H]([C@H]1c1ccc(cc1)-c1cnco1)c1ccccc1 |r| Show InChI InChI=1S/C19H16N2O3/c22-19(21-23)18-16(13-4-2-1-3-5-13)17(18)14-8-6-12(7-9-14)15-10-20-11-24-15/h1-11,16-18,23H,(H,21,22)/t16-,17-,18-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
BioFocus
Curated by ChEMBL
| Assay Description Inhibition of human CYP2C19 |
J Med Chem 56: 9934-54 (2013)
Article DOI: 10.1021/jm4011884 BindingDB Entry DOI: 10.7270/Q2DZ09RK |
More data for this Ligand-Target Pair | |
Histone deacetylase 3
(Homo sapiens (Human)) | BDBM19149
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank Article PubMed
| n/a | n/a | 250 | n/a | n/a | n/a | n/a | n/a | n/a |
BioFocus
Curated by ChEMBL
| Assay Description Inhibition of human recombinant full length HDAC3-NCoR2 using Lys_Ac_AMC as substrate after 60 mins by fluorescence assay |
J Med Chem 56: 9934-54 (2013)
Article DOI: 10.1021/jm4011884 BindingDB Entry DOI: 10.7270/Q2DZ09RK |
More data for this Ligand-Target Pair | |
Histone deacetylase 3
(Homo sapiens (Human)) | BDBM50245989
(1-(5-(3-((4-(1,3,4-oxadiazol-2-yl)phenoxy)methyl)-...)Show SMILES FC(F)(F)C(=O)c1ccc(s1)-c1nc(COc2ccc(cc2)-c2nnco2)no1 Show InChI InChI=1S/C17H9F3N4O4S/c18-17(19,20)14(25)11-5-6-12(29-11)16-22-13(24-28-16)7-26-10-3-1-9(2-4-10)15-23-21-8-27-15/h1-6,8H,7H2 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 380 | n/a | n/a | n/a | n/a | n/a | n/a |
BioFocus
Curated by ChEMBL
| Assay Description Inhibition of human recombinant full length HDAC3-NCoR2 using Lys_Ac_AMC as substrate after 60 mins by fluorescence assay |
J Med Chem 56: 9934-54 (2013)
Article DOI: 10.1021/jm4011884 BindingDB Entry DOI: 10.7270/Q2DZ09RK |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50446472
(CHEMBL3110021 | US9765054, Compound 41B)Show SMILES ONC(=O)[C@@H]1[C@@H]([C@H]1c1ccc(cc1)-c1cnco1)c1ccccc1 |r| Show InChI InChI=1S/C19H16N2O3/c22-19(21-23)18-16(13-4-2-1-3-5-13)17(18)14-8-6-12(7-9-14)15-10-20-11-24-15/h1-11,16-18,23H,(H,21,22)/t16-,17-,18-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 400 | n/a | n/a | n/a | n/a | n/a | n/a |
BioFocus
Curated by ChEMBL
| Assay Description Inhibition of human CYP2C9 |
J Med Chem 56: 9934-54 (2013)
Article DOI: 10.1021/jm4011884 BindingDB Entry DOI: 10.7270/Q2DZ09RK |
More data for this Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50446472
(CHEMBL3110021 | US9765054, Compound 41B)Show SMILES ONC(=O)[C@@H]1[C@@H]([C@H]1c1ccc(cc1)-c1cnco1)c1ccccc1 |r| Show InChI InChI=1S/C19H16N2O3/c22-19(21-23)18-16(13-4-2-1-3-5-13)17(18)14-8-6-12(7-9-14)15-10-20-11-24-15/h1-11,16-18,23H,(H,21,22)/t16-,17-,18-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 2.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
BioFocus
Curated by ChEMBL
| Assay Description Inhibition of human CYP2D6 |
J Med Chem 56: 9934-54 (2013)
Article DOI: 10.1021/jm4011884 BindingDB Entry DOI: 10.7270/Q2DZ09RK |
More data for this Ligand-Target Pair | |
Histone deacetylase 3
(Homo sapiens (Human)) | BDBM50446474
(CHEMBL3109980 | US9765054, Compound 25e)Show SMILES ONC(=O)[C@@H]1[C@@H]([C@H]1c1cc(Cl)c2OCCOc2c1)c1ccccc1 |r| Show InChI InChI=1S/C18H16ClNO4/c19-12-8-11(9-13-17(12)24-7-6-23-13)15-14(16(15)18(21)20-22)10-4-2-1-3-5-10/h1-5,8-9,14-16,22H,6-7H2,(H,20,21)/t14-,15-,16-/m1/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 4.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
BioFocus
Curated by ChEMBL
| Assay Description Inhibition of human recombinant full length HDAC3-NCoR2 using Lys_Ac_AMC as substrate after 60 mins by fluorescence assay |
J Med Chem 56: 9934-54 (2013)
Article DOI: 10.1021/jm4011884 BindingDB Entry DOI: 10.7270/Q2DZ09RK |
More data for this Ligand-Target Pair | |
Histone deacetylase 3
(Homo sapiens (Human)) | BDBM50446475
(CHEMBL3110001)Show SMILES ONC(=O)[C@@H]1[C@@H]([C@H]1c1ccc2nccnc2c1)c1ccccc1 |r| Show InChI InChI=1S/C18H15N3O2/c22-18(21-23)17-15(11-4-2-1-3-5-11)16(17)12-6-7-13-14(10-12)20-9-8-19-13/h1-10,15-17,23H,(H,21,22)/t15-,16-,17-/m1/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 8.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
BioFocus
Curated by ChEMBL
| Assay Description Inhibition of human recombinant full length HDAC3-NCoR2 using Lys_Ac_AMC as substrate after 60 mins by fluorescence assay |
J Med Chem 56: 9934-54 (2013)
Article DOI: 10.1021/jm4011884 BindingDB Entry DOI: 10.7270/Q2DZ09RK |
More data for this Ligand-Target Pair | |
Histone deacetylase 3
(Homo sapiens (Human)) | BDBM50446479
(CHEMBL3110015 | US9765054, Compound 50A)Show SMILES ONC(=O)[C@@H]1[C@@H]([C@H]1c1ccc(cc1)-c1ncc(F)cn1)c1ccccc1 |r| Show InChI InChI=1S/C20H16FN3O2/c21-15-10-22-19(23-11-15)14-8-6-13(7-9-14)17-16(18(17)20(25)24-26)12-4-2-1-3-5-12/h1-11,16-18,26H,(H,24,25)/t16-,17-,18-/m1/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 9.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
BioFocus
Curated by ChEMBL
| Assay Description Inhibition of human recombinant full length HDAC3-NCoR2 using Lys_Ac_AMC as substrate after 60 mins by fluorescence assay |
J Med Chem 56: 9934-54 (2013)
Article DOI: 10.1021/jm4011884 BindingDB Entry DOI: 10.7270/Q2DZ09RK |
More data for this Ligand-Target Pair | |
Histone deacetylase 3
(Homo sapiens (Human)) | BDBM50446472
(CHEMBL3110021 | US9765054, Compound 41B)Show SMILES ONC(=O)[C@@H]1[C@@H]([C@H]1c1ccc(cc1)-c1cnco1)c1ccccc1 |r| Show InChI InChI=1S/C19H16N2O3/c22-19(21-23)18-16(13-4-2-1-3-5-13)17(18)14-8-6-12(7-9-14)15-10-20-11-24-15/h1-11,16-18,23H,(H,21,22)/t16-,17-,18-/m1/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 1.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
BioFocus
Curated by ChEMBL
| Assay Description Inhibition of human recombinant full length HDAC3-NCoR2 using Lys_Ac_AMC as substrate after 60 mins by fluorescence assay |
J Med Chem 56: 9934-54 (2013)
Article DOI: 10.1021/jm4011884 BindingDB Entry DOI: 10.7270/Q2DZ09RK |
More data for this Ligand-Target Pair | |
Histone deacetylase 3
(Homo sapiens (Human)) | BDBM50446473
(CHEMBL3109983 | US9765054, Compound 33)Show SMILES ONC(=O)[C@@H]1[C@@H]([C@H]1c1ccc2C(=O)N(CC(F)(F)F)Cc2c1)c1ccccc1 |r| Show InChI InChI=1S/C20H17F3N2O3/c21-20(22,23)10-25-9-13-8-12(6-7-14(13)19(25)27)16-15(17(16)18(26)24-28)11-4-2-1-3-5-11/h1-8,15-17,28H,9-10H2,(H,24,26)/t15-,16-,17-/m1/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
BioFocus
Curated by ChEMBL
| Assay Description Inhibition of human recombinant full length HDAC3-NCoR2 using Lys_Ac_AMC as substrate after 60 mins by fluorescence assay |
J Med Chem 56: 9934-54 (2013)
Article DOI: 10.1021/jm4011884 BindingDB Entry DOI: 10.7270/Q2DZ09RK |
More data for this Ligand-Target Pair | |
Histone deacetylase 3
(Homo sapiens (Human)) | BDBM50446476
(CHEMBL3109993 | US9765054, Compound 28B)Show SMILES ONC(=O)[C@@H]1[C@@H]([C@H]1c1ccnc(c1)C1CC1)c1ccccc1 |r| Show InChI InChI=1S/C18H18N2O2/c21-18(20-22)17-15(12-4-2-1-3-5-12)16(17)13-8-9-19-14(10-13)11-6-7-11/h1-5,8-11,15-17,22H,6-7H2,(H,20,21)/t15-,16-,17-/m1/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
BioFocus
Curated by ChEMBL
| Assay Description Inhibition of human recombinant full length HDAC3-NCoR2 using Lys_Ac_AMC as substrate after 60 mins by fluorescence assay |
J Med Chem 56: 9934-54 (2013)
Article DOI: 10.1021/jm4011884 BindingDB Entry DOI: 10.7270/Q2DZ09RK |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50446470
(CHEMBL3109985 | US9765054, Compound 46)Show SMILES ONC(=O)[C@@H]1[C@@H]([C@H]1c1ccc(cc1)-c1cnc(o1)C1CC1)c1ccccc1 |r| Show InChI InChI=1S/C22H20N2O3/c25-21(24-26)20-18(14-4-2-1-3-5-14)19(20)15-8-6-13(7-9-15)17-12-23-22(27-17)16-10-11-16/h1-9,12,16,18-20,26H,10-11H2,(H,24,25)/t18-,19-,20-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
BioFocus
Curated by ChEMBL
| Assay Description Inhibition of human CYP2C9 |
J Med Chem 56: 9934-54 (2013)
Article DOI: 10.1021/jm4011884 BindingDB Entry DOI: 10.7270/Q2DZ09RK |
More data for this Ligand-Target Pair | |
Histone deacetylase 3
(Homo sapiens (Human)) | BDBM50446477
(CHEMBL3110023 | US9765054, Compound 25b)Show SMILES Cn1cc(cn1)[C@H]1[C@@H]([C@@H]1c1ccccc1)C(=O)NO |r| Show InChI InChI=1S/C14H15N3O2/c1-17-8-10(7-15-17)12-11(13(12)14(18)16-19)9-5-3-2-4-6-9/h2-8,11-13,19H,1H3,(H,16,18)/t11-,12-,13-/m1/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
BioFocus
Curated by ChEMBL
| Assay Description Inhibition of human recombinant full length HDAC3-NCoR2 using Lys_Ac_AMC as substrate after 60 mins by fluorescence assay |
J Med Chem 56: 9934-54 (2013)
Article DOI: 10.1021/jm4011884 BindingDB Entry DOI: 10.7270/Q2DZ09RK |
More data for this Ligand-Target Pair | |
Histone deacetylase 3
(Homo sapiens (Human)) | BDBM50446478
(CHEMBL3110016 | US9765054, Compound 50B)Show SMILES ONC(=O)[C@@H]1[C@@H]([C@H]1c1cccc(c1)-c1ncc(F)cn1)c1ccccc1 |r| Show InChI InChI=1S/C20H16FN3O2/c21-15-10-22-19(23-11-15)14-8-4-7-13(9-14)17-16(18(17)20(25)24-26)12-5-2-1-3-6-12/h1-11,16-18,26H,(H,24,25)/t16-,17-,18-/m1/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
BioFocus
Curated by ChEMBL
| Assay Description Inhibition of human recombinant full length HDAC3-NCoR2 using Lys_Ac_AMC as substrate after 60 mins by fluorescence assay |
J Med Chem 56: 9934-54 (2013)
Article DOI: 10.1021/jm4011884 BindingDB Entry DOI: 10.7270/Q2DZ09RK |
More data for this Ligand-Target Pair | |
Histone deacetylase 3
(Homo sapiens (Human)) | BDBM50446480
(CHEMBL3110005)Show SMILES ONC(=O)C1[C@@H]([C@H]1c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C16H15NO2/c18-16(17-19)15-13(11-7-3-1-4-8-11)14(15)12-9-5-2-6-10-12/h1-10,13-15,19H,(H,17,18)/t13-,14-/m1/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 3.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
BioFocus
Curated by ChEMBL
| Assay Description Inhibition of human recombinant full length HDAC3-NCoR2 using Lys_Ac_AMC as substrate after 60 mins by fluorescence assay |
J Med Chem 56: 9934-54 (2013)
Article DOI: 10.1021/jm4011884 BindingDB Entry DOI: 10.7270/Q2DZ09RK |
More data for this Ligand-Target Pair | |
Histone deacetylase 3
(Homo sapiens (Human)) | BDBM50446482
(CHEMBL3110003)Show InChI InChI=1S/C14H11NO2/c16-14(15-17)13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13/h1-8,13,17H,(H,15,16) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 3.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
BioFocus
Curated by ChEMBL
| Assay Description Inhibition of human recombinant full length HDAC3-NCoR2 using Lys_Ac_AMC as substrate after 60 mins by fluorescence assay |
J Med Chem 56: 9934-54 (2013)
Article DOI: 10.1021/jm4011884 BindingDB Entry DOI: 10.7270/Q2DZ09RK |
More data for this Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50446471
(CHEMBL3109984 | US9765054, Compound 75a)Show SMILES Cc1ncc(o1)-c1ccc(cc1)[C@H]1[C@@H]([C@@H]1c1ccccc1)C(=O)NO |r| Show InChI InChI=1S/C20H18N2O3/c1-12-21-11-16(25-12)13-7-9-15(10-8-13)18-17(19(18)20(23)22-24)14-5-3-2-4-6-14/h2-11,17-19,24H,1H3,(H,22,23)/t17-,18-,19-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >3.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
BioFocus
Curated by ChEMBL
| Assay Description Inhibition of human CYP2D6 |
J Med Chem 56: 9934-54 (2013)
Article DOI: 10.1021/jm4011884 BindingDB Entry DOI: 10.7270/Q2DZ09RK |
More data for this Ligand-Target Pair | |
Histone deacetylase 3
(Homo sapiens (Human)) | BDBM50446481
(CHEMBL3110004 | US10011611, TMP269 | US10722597, C...)Show SMILES FC(F)(F)c1nc(no1)-c1cccc(c1)C(=O)NCC1(CCOCC1)c1nc(cs1)-c1ccccc1 Show InChI InChI=1S/C25H21F3N4O3S/c26-25(27,28)22-31-20(32-35-22)17-7-4-8-18(13-17)21(33)29-15-24(9-11-34-12-10-24)23-30-19(14-36-23)16-5-2-1-3-6-16/h1-8,13-14H,9-12,15H2,(H,29,33) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | >4.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
BioFocus
Curated by ChEMBL
| Assay Description Inhibition of human recombinant full length HDAC3-NCoR2 using Lys_Ac_AMC as substrate after 60 mins by fluorescence assay |
J Med Chem 56: 9934-54 (2013)
Article DOI: 10.1021/jm4011884 BindingDB Entry DOI: 10.7270/Q2DZ09RK |
More data for this Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50446470
(CHEMBL3109985 | US9765054, Compound 46)Show SMILES ONC(=O)[C@@H]1[C@@H]([C@H]1c1ccc(cc1)-c1cnc(o1)C1CC1)c1ccccc1 |r| Show InChI InChI=1S/C22H20N2O3/c25-21(24-26)20-18(14-4-2-1-3-5-14)19(20)15-8-6-13(7-9-15)17-12-23-22(27-17)16-10-11-16/h1-9,12,16,18-20,26H,10-11H2,(H,24,25)/t18-,19-,20-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >4.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
BioFocus
Curated by ChEMBL
| Assay Description Inhibition of human CYP2D6 |
J Med Chem 56: 9934-54 (2013)
Article DOI: 10.1021/jm4011884 BindingDB Entry DOI: 10.7270/Q2DZ09RK |
More data for this Ligand-Target Pair | |
Histone deacetylase 3
(Homo sapiens (Human)) | BDBM50207561
(CHEMBL396097 | Class IIa HDAC inhibitor, Compound ...)Show InChI InChI=1S/C14H13NO2/c16-14(15-17)13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13,17H,(H,15,16) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
BioFocus
Curated by ChEMBL
| Assay Description Inhibition of human recombinant full length HDAC3-NCoR2 using Lys_Ac_AMC as substrate after 60 mins by fluorescence assay |
J Med Chem 56: 9934-54 (2013)
Article DOI: 10.1021/jm4011884 BindingDB Entry DOI: 10.7270/Q2DZ09RK |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50446471
(CHEMBL3109984 | US9765054, Compound 75a)Show SMILES Cc1ncc(o1)-c1ccc(cc1)[C@H]1[C@@H]([C@@H]1c1ccccc1)C(=O)NO |r| Show InChI InChI=1S/C20H18N2O3/c1-12-21-11-16(25-12)13-7-9-15(10-8-13)18-17(19(18)20(23)22-24)14-5-3-2-4-6-14/h2-11,17-19,24H,1H3,(H,22,23)/t17-,18-,19-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
BioFocus
Curated by ChEMBL
| Assay Description Inhibition of human CYP2C19 |
J Med Chem 56: 9934-54 (2013)
Article DOI: 10.1021/jm4011884 BindingDB Entry DOI: 10.7270/Q2DZ09RK |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50446471
(CHEMBL3109984 | US9765054, Compound 75a)Show SMILES Cc1ncc(o1)-c1ccc(cc1)[C@H]1[C@@H]([C@@H]1c1ccccc1)C(=O)NO |r| Show InChI InChI=1S/C20H18N2O3/c1-12-21-11-16(25-12)13-7-9-15(10-8-13)18-17(19(18)20(23)22-24)14-5-3-2-4-6-14/h2-11,17-19,24H,1H3,(H,22,23)/t17-,18-,19-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
BioFocus
Curated by ChEMBL
| Assay Description Inhibition of human CYP2C9 |
J Med Chem 56: 9934-54 (2013)
Article DOI: 10.1021/jm4011884 BindingDB Entry DOI: 10.7270/Q2DZ09RK |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50446470
(CHEMBL3109985 | US9765054, Compound 46)Show SMILES ONC(=O)[C@@H]1[C@@H]([C@H]1c1ccc(cc1)-c1cnc(o1)C1CC1)c1ccccc1 |r| Show InChI InChI=1S/C22H20N2O3/c25-21(24-26)20-18(14-4-2-1-3-5-14)19(20)15-8-6-13(7-9-15)17-12-23-22(27-17)16-10-11-16/h1-9,12,16,18-20,26H,10-11H2,(H,24,25)/t18-,19-,20-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
BioFocus
Curated by ChEMBL
| Assay Description Inhibition of human CYP2C19 |
J Med Chem 56: 9934-54 (2013)
Article DOI: 10.1021/jm4011884 BindingDB Entry DOI: 10.7270/Q2DZ09RK |
More data for this Ligand-Target Pair | |