Found 21 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 2D6
(Homo sapiens (Human)) | BDBM50443210
(CHEMBL3087352)Show SMILES Clc1cc(Cl)cc(c1)S(=O)(=O)Nc1ccc(cc1)-n1ccnc1 Show InChI InChI=1S/C15H11Cl2N3O2S/c16-11-7-12(17)9-15(8-11)23(21,22)19-13-1-3-14(4-2-13)20-6-5-18-10-20/h1-10,19H | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 (unknown origin) after 10 mins |
Bioorg Med Chem Lett 23: 6447-54 (2013)
Article DOI: 10.1016/j.bmcl.2013.09.041
BindingDB Entry DOI: 10.7270/Q2C53N9S |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50443208
(CHEMBL3087355)Show SMILES Clc1cc(Cl)cc(c1)S(=O)(=O)Nc1ccc(cc1)-c1ccncc1 Show InChI InChI=1S/C17H12Cl2N2O2S/c18-14-9-15(19)11-17(10-14)24(22,23)21-16-3-1-12(2-4-16)13-5-7-20-8-6-13/h1-11,21H | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 (unknown origin) after 10 mins |
Bioorg Med Chem Lett 23: 6447-54 (2013)
Article DOI: 10.1016/j.bmcl.2013.09.041
BindingDB Entry DOI: 10.7270/Q2C53N9S |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50443202
(CHEMBL3087041)Show SMILES FC(F)(F)c1cc(cc(c1)S(=O)(=O)Nc1ccc(cc1)-c1ccnc(C=C)c1)C(F)(F)F Show InChI InChI=1S/C21H14F6N2O2S/c1-2-17-9-14(7-8-28-17)13-3-5-18(6-4-13)29-32(30,31)19-11-15(20(22,23)24)10-16(12-19)21(25,26)27/h2-12,29H,1H2 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 700 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 (unknown origin) after 10 mins |
Bioorg Med Chem Lett 23: 6447-54 (2013)
Article DOI: 10.1016/j.bmcl.2013.09.041
BindingDB Entry DOI: 10.7270/Q2C53N9S |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50443201
(CHEMBL3087042)Show SMILES CCc1cc(ccn1)-c1ccc(NS(=O)(=O)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)cc1 Show InChI InChI=1S/C21H16F6N2O2S/c1-2-17-9-14(7-8-28-17)13-3-5-18(6-4-13)29-32(30,31)19-11-15(20(22,23)24)10-16(12-19)21(25,26)27/h3-12,29H,2H2,1H3 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 700 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 (unknown origin) after 10 mins |
Bioorg Med Chem Lett 23: 6447-54 (2013)
Article DOI: 10.1016/j.bmcl.2013.09.041
BindingDB Entry DOI: 10.7270/Q2C53N9S |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50443200
(CHEMBL3087043)Show SMILES CCCc1cc(ccn1)-c1ccc(NS(=O)(=O)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)cc1 Show InChI InChI=1S/C22H18F6N2O2S/c1-2-3-19-10-15(8-9-29-19)14-4-6-18(7-5-14)30-33(31,32)20-12-16(21(23,24)25)11-17(13-20)22(26,27)28/h4-13,30H,2-3H2,1H3 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 (unknown origin) after 10 mins |
Bioorg Med Chem Lett 23: 6447-54 (2013)
Article DOI: 10.1016/j.bmcl.2013.09.041
BindingDB Entry DOI: 10.7270/Q2C53N9S |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50443203
(CHEMBL3087040)Show SMILES COc1cc(ccc1NS(=O)(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)-c1ccnc(C)c1 Show InChI InChI=1S/C21H16F6N2O3S/c1-12-7-14(5-6-28-12)13-3-4-18(19(8-13)32-2)29-33(30,31)17-10-15(20(22,23)24)9-16(11-17)21(25,26)27/h3-11,29H,1-2H3 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 (unknown origin) after 10 mins |
Bioorg Med Chem Lett 23: 6447-54 (2013)
Article DOI: 10.1016/j.bmcl.2013.09.041
BindingDB Entry DOI: 10.7270/Q2C53N9S |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50443204
(CHEMBL3087038)Show SMILES Cc1cc(ccn1)-c1ccc(NS(=O)(=O)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)cc1 Show InChI InChI=1S/C20H14F6N2O2S/c1-12-8-14(6-7-27-12)13-2-4-17(5-3-13)28-31(29,30)18-10-15(19(21,22)23)9-16(11-18)20(24,25)26/h2-11,28H,1H3 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 (unknown origin) after 10 mins |
Bioorg Med Chem Lett 23: 6447-54 (2013)
Article DOI: 10.1016/j.bmcl.2013.09.041
BindingDB Entry DOI: 10.7270/Q2C53N9S |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50443195
(CHEMBL3087343)Show SMILES C[C@H](C(=O)Nc1ccc(cc1)-c1ccnc(C)c1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C23H18F6N2O/c1-13-9-16(7-8-30-13)15-3-5-20(6-4-15)31-21(32)14(2)17-10-18(22(24,25)26)12-19(11-17)23(27,28)29/h3-12,14H,1-2H3,(H,31,32)/t14-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 (unknown origin) after 10 mins |
Bioorg Med Chem Lett 23: 6447-54 (2013)
Article DOI: 10.1016/j.bmcl.2013.09.041
BindingDB Entry DOI: 10.7270/Q2C53N9S |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50443215
(CHEMBL3087347)Show SMILES Clc1cc(Cl)cc(c1)S(=O)(=O)Nc1ccc(cc1)-c1cnco1 Show InChI InChI=1S/C15H10Cl2N2O3S/c16-11-5-12(17)7-14(6-11)23(20,21)19-13-3-1-10(2-4-13)15-8-18-9-22-15/h1-9,19H | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 (unknown origin) after 10 mins |
Bioorg Med Chem Lett 23: 6447-54 (2013)
Article DOI: 10.1016/j.bmcl.2013.09.041
BindingDB Entry DOI: 10.7270/Q2C53N9S |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50443196
(CHEMBL3087342)Show SMILES C[C@@H](C(=O)Nc1ccc(cc1)-c1ccnc(C)c1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C23H18F6N2O/c1-13-9-16(7-8-30-13)15-3-5-20(6-4-15)31-21(32)14(2)17-10-18(22(24,25)26)12-19(11-17)23(27,28)29/h3-12,14H,1-2H3,(H,31,32)/t14-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 (unknown origin) after 10 mins |
Bioorg Med Chem Lett 23: 6447-54 (2013)
Article DOI: 10.1016/j.bmcl.2013.09.041
BindingDB Entry DOI: 10.7270/Q2C53N9S |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50443206
(CHEMBL3087036)Show SMILES Clc1cc(Cl)cc(c1)S(=O)(=O)Nc1ccc(cc1)-c1cncnc1 Show InChI InChI=1S/C16H11Cl2N3O2S/c17-13-5-14(18)7-16(6-13)24(22,23)21-15-3-1-11(2-4-15)12-8-19-10-20-9-12/h1-10,21H | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 (unknown origin) after 10 mins |
Bioorg Med Chem Lett 23: 6447-54 (2013)
Article DOI: 10.1016/j.bmcl.2013.09.041
BindingDB Entry DOI: 10.7270/Q2C53N9S |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50443205
(CHEMBL3087037)Show SMILES Cc1cc(ccn1)-c1ccc(NS(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1 Show InChI InChI=1S/C18H14Cl2N2O2S/c1-12-8-14(6-7-21-12)13-2-4-17(5-3-13)22-25(23,24)18-10-15(19)9-16(20)11-18/h2-11,22H,1H3 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 (unknown origin) after 10 mins |
Bioorg Med Chem Lett 23: 6447-54 (2013)
Article DOI: 10.1016/j.bmcl.2013.09.041
BindingDB Entry DOI: 10.7270/Q2C53N9S |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50443211
(CHEMBL3087351)Show SMILES Clc1cc(Cl)cc(c1)S(=O)(=O)Nc1ccc(cc1)-c1cc[nH]n1 Show InChI InChI=1S/C15H11Cl2N3O2S/c16-11-7-12(17)9-14(8-11)23(21,22)20-13-3-1-10(2-4-13)15-5-6-18-19-15/h1-9,20H,(H,18,19) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.18E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 (unknown origin) after 10 mins |
Bioorg Med Chem Lett 23: 6447-54 (2013)
Article DOI: 10.1016/j.bmcl.2013.09.041
BindingDB Entry DOI: 10.7270/Q2C53N9S |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50443197
(CHEMBL3087341)Show SMILES Cc1cc(ccn1)-c1ccc(NC(=O)Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)cc1 Show InChI InChI=1S/C22H16F6N2O/c1-13-8-16(6-7-29-13)15-2-4-19(5-3-15)30-20(31)11-14-9-17(21(23,24)25)12-18(10-14)22(26,27)28/h2-10,12H,11H2,1H3,(H,30,31) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 (unknown origin) after 10 mins |
Bioorg Med Chem Lett 23: 6447-54 (2013)
Article DOI: 10.1016/j.bmcl.2013.09.041
BindingDB Entry DOI: 10.7270/Q2C53N9S |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50443213
(CHEMBL3087349)Show SMILES Clc1cc(Cl)cc(c1)S(=O)(=O)Nc1ccc(cc1)-c1nnco1 Show InChI InChI=1S/C14H9Cl2N3O3S/c15-10-5-11(16)7-13(6-10)23(20,21)19-12-3-1-9(2-4-12)14-18-17-8-22-14/h1-8,19H | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.51E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 (unknown origin) after 10 mins |
Bioorg Med Chem Lett 23: 6447-54 (2013)
Article DOI: 10.1016/j.bmcl.2013.09.041
BindingDB Entry DOI: 10.7270/Q2C53N9S |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50443209
(CHEMBL3087353)Show SMILES Cc1nccn1-c1ccc(NS(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1 Show InChI InChI=1S/C16H13Cl2N3O2S/c1-11-19-6-7-21(11)15-4-2-14(3-5-15)20-24(22,23)16-9-12(17)8-13(18)10-16/h2-10,20H,1H3 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >2.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 (unknown origin) after 10 mins |
Bioorg Med Chem Lett 23: 6447-54 (2013)
Article DOI: 10.1016/j.bmcl.2013.09.041
BindingDB Entry DOI: 10.7270/Q2C53N9S |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50443214
(CHEMBL3087348)Show SMILES Clc1cc(Cl)cc(c1)S(=O)(=O)Nc1ccc(cc1)-c1ccco1 Show InChI InChI=1S/C16H11Cl2NO3S/c17-12-8-13(18)10-15(9-12)23(20,21)19-14-5-3-11(4-6-14)16-2-1-7-22-16/h1-10,19H | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >2.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 (unknown origin) after 10 mins |
Bioorg Med Chem Lett 23: 6447-54 (2013)
Article DOI: 10.1016/j.bmcl.2013.09.041
BindingDB Entry DOI: 10.7270/Q2C53N9S |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50443207
(CHEMBL3087035)Show SMILES Clc1cc(Cl)cc(c1)S(=O)(=O)Nc1ccc(cc1)-c1ncccn1 Show InChI InChI=1S/C16H11Cl2N3O2S/c17-12-8-13(18)10-15(9-12)24(22,23)21-14-4-2-11(3-5-14)16-19-6-1-7-20-16/h1-10,21H | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >2.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 (unknown origin) after 10 mins |
Bioorg Med Chem Lett 23: 6447-54 (2013)
Article DOI: 10.1016/j.bmcl.2013.09.041
BindingDB Entry DOI: 10.7270/Q2C53N9S |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50443199
(CHEMBL3087339)Show SMILES Cc1cc(ccn1)-c1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1 Show InChI InChI=1S/C19H14Cl2N2O/c1-12-8-14(6-7-22-12)13-2-4-18(5-3-13)23-19(24)15-9-16(20)11-17(21)10-15/h2-11H,1H3,(H,23,24) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >2.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 (unknown origin) after 10 mins |
Bioorg Med Chem Lett 23: 6447-54 (2013)
Article DOI: 10.1016/j.bmcl.2013.09.041
BindingDB Entry DOI: 10.7270/Q2C53N9S |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50443198
(CHEMBL3087340)Show SMILES Cc1cc(ccn1)-c1ccc(NC(=O)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)cc1 Show InChI InChI=1S/C21H14F6N2O/c1-12-8-14(6-7-28-12)13-2-4-18(5-3-13)29-19(30)15-9-16(20(22,23)24)11-17(10-15)21(25,26)27/h2-11H,1H3,(H,29,30) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >2.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 (unknown origin) after 10 mins |
Bioorg Med Chem Lett 23: 6447-54 (2013)
Article DOI: 10.1016/j.bmcl.2013.09.041
BindingDB Entry DOI: 10.7270/Q2C53N9S |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50443212
(CHEMBL3087350)Show SMILES Cc1noc(n1)-c1ccc(NS(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1 Show InChI InChI=1S/C15H11Cl2N3O3S/c1-9-18-15(23-19-9)10-2-4-13(5-3-10)20-24(21,22)14-7-11(16)6-12(17)8-14/h2-8,20H,1H3 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >2.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 (unknown origin) after 10 mins |
Bioorg Med Chem Lett 23: 6447-54 (2013)
Article DOI: 10.1016/j.bmcl.2013.09.041
BindingDB Entry DOI: 10.7270/Q2C53N9S |
More data for this
Ligand-Target Pair | |
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