Found 96 hits of ki data for complexid = 101,93 Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Cytochrome P450 11B1, mitochondrial
(Homo sapiens (Human)) | BDBM50249088
(CHEMBL4100299)Show InChI InChI=1S/C16H17N3O/c1-11-4-5-15-12(6-11)8-18-19(15)14-7-13(9-17-10-14)16(2,3)20/h4-10,20H,1-3H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 916 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human CYP11B1-8C7 expressed in Chinese hamster V79 cells using 11-deoxycortisol as substrate preincubated for 1 hr followed by substrat... |
Bioorg Med Chem Lett 27: 2384-2388 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.021 BindingDB Entry DOI: 10.7270/Q2MC92F2 |
More data for this Ligand-Target Pair | |
Cytochrome P450 11B1, mitochondrial
(Homo sapiens (Human)) | BDBM50249068
(CHEMBL4100151)Show InChI InChI=1S/C16H17N3O2/c1-16(2,20)12-7-13(10-17-9-12)19-15-5-4-14(21-3)6-11(15)8-18-19/h4-10,20H,1-3H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human CYP11B1-8C7 expressed in Chinese hamster V79 cells using 11-deoxycortisol as substrate preincubated for 1 hr followed by substrat... |
Bioorg Med Chem Lett 27: 2384-2388 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.021 BindingDB Entry DOI: 10.7270/Q2MC92F2 |
More data for this Ligand-Target Pair | |
Cytochrome P450 11B2, mitochondrial
(Homo sapiens (Human)) | BDBM50249073
(CHEMBL4099361)Show InChI InChI=1S/C16H14N4O/c1-16(2,21)13-6-14(10-18-9-13)20-15-4-3-11(7-17)5-12(15)8-19-20/h3-6,8-10,21H,1-2H3 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.16E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human CYP11B2-CLE9 expressed in Chinese hamster V79 cells using 11-deoxycorticosterone as substrate preincubated for 1 hr followed by s... |
Bioorg Med Chem Lett 27: 2384-2388 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.021 BindingDB Entry DOI: 10.7270/Q2MC92F2 |
More data for this Ligand-Target Pair | |
Cytochrome P450 11B1, mitochondrial
(Homo sapiens (Human)) | BDBM50249072
(CHEMBL4073305)Show InChI InChI=1S/C16H14F3N3O/c1-15(2,23)12-6-13(9-20-8-12)22-14-4-3-11(16(17,18)19)5-10(14)7-21-22/h3-9,23H,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human CYP11B1-8C7 expressed in Chinese hamster V79 cells using 11-deoxycortisol as substrate preincubated for 1 hr followed by substrat... |
Bioorg Med Chem Lett 27: 2384-2388 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.021 BindingDB Entry DOI: 10.7270/Q2MC92F2 |
More data for this Ligand-Target Pair | |
Cytochrome P450 11B1, mitochondrial
(Homo sapiens (Human)) | BDBM50249058
(CHEMBL4063670)Show InChI InChI=1S/C13H10FN3O/c1-18-12-5-11(7-15-8-12)17-13-3-2-10(14)4-9(13)6-16-17/h2-8H,1H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human CYP11B1-8C7 expressed in Chinese hamster V79 cells using 11-deoxycortisol as substrate preincubated for 1 hr followed by substrat... |
Bioorg Med Chem Lett 27: 2384-2388 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.021 BindingDB Entry DOI: 10.7270/Q2MC92F2 |
More data for this Ligand-Target Pair | |
Cytochrome P450 11B1, mitochondrial
(Homo sapiens (Human)) | BDBM50249086
(CHEMBL4070125)Show InChI InChI=1S/C16H17N3O2/c1-16(2,20)11-8-12(10-17-9-11)19-14-7-5-4-6-13(14)15(18-19)21-3/h4-10,20H,1-3H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human CYP11B1-8C7 expressed in Chinese hamster V79 cells using 11-deoxycortisol as substrate preincubated for 1 hr followed by substrat... |
Bioorg Med Chem Lett 27: 2384-2388 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.021 BindingDB Entry DOI: 10.7270/Q2MC92F2 |
More data for this Ligand-Target Pair | |
Cytochrome P450 11B1, mitochondrial
(Homo sapiens (Human)) | BDBM50249056
(CHEMBL4078791)Show InChI InChI=1S/C13H7F4N3/c14-10-1-2-12-8(3-10)5-19-20(12)11-4-9(6-18-7-11)13(15,16)17/h1-7H | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.69E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human CYP11B1-8C7 expressed in Chinese hamster V79 cells using 11-deoxycortisol as substrate preincubated for 1 hr followed by substrat... |
Bioorg Med Chem Lett 27: 2384-2388 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.021 BindingDB Entry DOI: 10.7270/Q2MC92F2 |
More data for this Ligand-Target Pair | |
Cytochrome P450 11B1, mitochondrial
(Homo sapiens (Human)) | BDBM50249087
(CHEMBL4085626)Show InChI InChI=1S/C15H14FN3O/c1-15(2,20)11-5-13(9-17-8-11)19-14-6-12(16)4-3-10(14)7-18-19/h3-9,20H,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.99E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human CYP11B1-8C7 expressed in Chinese hamster V79 cells using 11-deoxycortisol as substrate preincubated for 1 hr followed by substrat... |
Bioorg Med Chem Lett 27: 2384-2388 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.021 BindingDB Entry DOI: 10.7270/Q2MC92F2 |
More data for this Ligand-Target Pair | |
Cytochrome P450 11B2, mitochondrial
(Homo sapiens (Human)) | BDBM50249066
(CHEMBL4076806)Show InChI InChI=1S/C16H14F3N3O/c1-15(2,23)12-5-13(9-20-8-12)22-14-6-11(16(17,18)19)4-3-10(14)7-21-22/h3-9,23H,1-2H3 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human CYP11B2-CLE9 expressed in Chinese hamster V79 cells using 11-deoxycorticosterone as substrate preincubated for 1 hr followed by s... |
Bioorg Med Chem Lett 27: 2384-2388 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.021 BindingDB Entry DOI: 10.7270/Q2MC92F2 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50249044
(CHEMBL4067000)Show InChI InChI=1S/C16H14F3N3O/c1-15(2,23)10-6-11(8-20-7-10)22-14-5-3-4-13(16(17,18)19)12(14)9-21-22/h3-9,23H,1-2H3 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 2.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of hepatic CYP2D6 (unknown origin) |
Bioorg Med Chem Lett 27: 2384-2388 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.021 BindingDB Entry DOI: 10.7270/Q2MC92F2 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50249048
(CHEMBL4080256)Show SMILES Cc1nn(-c2cncc(c2)[C@@](C)(O)C(F)(F)F)c2ccccc12 |r| Show InChI InChI=1S/C16H14F3N3O/c1-10-13-5-3-4-6-14(13)22(21-10)12-7-11(8-20-9-12)15(2,23)16(17,18)19/h3-9,23H,1-2H3/t15-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of hepatic CYP2C9 (unknown origin) |
Bioorg Med Chem Lett 27: 2384-2388 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.021 BindingDB Entry DOI: 10.7270/Q2MC92F2 |
More data for this Ligand-Target Pair | |
Aromatase
(Homo sapiens (Human)) | BDBM50249044
(CHEMBL4067000)Show InChI InChI=1S/C16H14F3N3O/c1-15(2,23)10-6-11(8-20-7-10)22-14-5-3-4-13(16(17,18)19)12(14)9-21-22/h3-9,23H,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 4.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of CYP19 (unknown origin) using MFC as substrate and NADPH as cofactor preincubated for 10 mins with cofactor followed by substrate/enzyme... |
Bioorg Med Chem Lett 27: 2384-2388 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.021 BindingDB Entry DOI: 10.7270/Q2MC92F2 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50249047
(CHEMBL4080420)Show InChI InChI=1S/C16H16FN3O/c1-10-15-13(17)5-4-6-14(15)20(19-10)12-7-11(8-18-9-12)16(2,3)21/h4-9,21H,1-3H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 4.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of hepatic CYP2C9 (unknown origin) |
Bioorg Med Chem Lett 27: 2384-2388 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.021 BindingDB Entry DOI: 10.7270/Q2MC92F2 |
More data for this Ligand-Target Pair | |
Aromatase
(Homo sapiens (Human)) | BDBM50249046
(CHEMBL4071689)Show SMILES C[C@](O)(c1cncc(c1)-n1nc(c2ccccc12)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C16H11F6N3O/c1-14(26,16(20,21)22)9-6-10(8-23-7-9)25-12-5-3-2-4-11(12)13(24-25)15(17,18)19/h2-8,26H,1H3/t14-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 5.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of CYP19 (unknown origin) using MFC as substrate and NADPH as cofactor preincubated for 10 mins with cofactor followed by substrate/enzyme... |
Bioorg Med Chem Lett 27: 2384-2388 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.021 BindingDB Entry DOI: 10.7270/Q2MC92F2 |
More data for this Ligand-Target Pair | |
Aromatase
(Homo sapiens (Human)) | BDBM50249048
(CHEMBL4080256)Show SMILES Cc1nn(-c2cncc(c2)[C@@](C)(O)C(F)(F)F)c2ccccc12 |r| Show InChI InChI=1S/C16H14F3N3O/c1-10-13-5-3-4-6-14(13)22(21-10)12-7-11(8-20-9-12)15(2,23)16(17,18)19/h3-9,23H,1-2H3/t15-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 6.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of CYP19 (unknown origin) using MFC as substrate and NADPH as cofactor preincubated for 10 mins with cofactor followed by substrate/enzyme... |
Bioorg Med Chem Lett 27: 2384-2388 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.021 BindingDB Entry DOI: 10.7270/Q2MC92F2 |
More data for this Ligand-Target Pair | |
Aromatase
(Homo sapiens (Human)) | BDBM50249045
(CHEMBL4098297)Show SMILES Cc1nn(-c2cncc(c2)[C@](C)(O)C(F)(F)F)c2ccccc12 |r| Show InChI InChI=1S/C16H14F3N3O/c1-10-13-5-3-4-6-14(13)22(21-10)12-7-11(8-20-9-12)15(2,23)16(17,18)19/h3-9,23H,1-2H3/t15-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 6.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of CYP19 (unknown origin) using MFC as substrate and NADPH as cofactor preincubated for 10 mins with cofactor followed by substrate/enzyme... |
Bioorg Med Chem Lett 27: 2384-2388 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.021 BindingDB Entry DOI: 10.7270/Q2MC92F2 |
More data for this Ligand-Target Pair | |
Aromatase
(Homo sapiens (Human)) | BDBM50249047
(CHEMBL4080420)Show InChI InChI=1S/C16H16FN3O/c1-10-15-13(17)5-4-6-14(15)20(19-10)12-7-11(8-18-9-12)16(2,3)21/h4-9,21H,1-3H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 6.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of CYP19 (unknown origin) using MFC as substrate and NADPH as cofactor preincubated for 10 mins with cofactor followed by substrate/enzyme... |
Bioorg Med Chem Lett 27: 2384-2388 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.021 BindingDB Entry DOI: 10.7270/Q2MC92F2 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50249046
(CHEMBL4071689)Show SMILES C[C@](O)(c1cncc(c1)-n1nc(c2ccccc12)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C16H11F6N3O/c1-14(26,16(20,21)22)9-6-10(8-23-7-9)25-12-5-3-2-4-11(12)13(24-25)15(17,18)19/h2-8,26H,1H3/t14-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| 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 |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of hepatic CYP2C9 (unknown origin) |
Bioorg Med Chem Lett 27: 2384-2388 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.021 BindingDB Entry DOI: 10.7270/Q2MC92F2 |
More data for this Ligand-Target Pair | |
Cytochrome P450 11B1, mitochondrial
(Homo sapiens (Human)) | BDBM50249062
(CHEMBL4072268)Show InChI InChI=1S/C16H14F3N3O/c1-15(2,23)10-7-11(9-20-8-10)22-13-6-4-3-5-12(13)14(21-22)16(17,18)19/h3-9,23H,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >8.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human CYP11B1-8C7 expressed in Chinese hamster V79 cells using 11-deoxycortisol as substrate preincubated for 1 hr followed by substrat... |
Bioorg Med Chem Lett 27: 2384-2388 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.021 BindingDB Entry DOI: 10.7270/Q2MC92F2 |
More data for this Ligand-Target Pair | |
Cytochrome P450 11B1, mitochondrial
(Homo sapiens (Human)) | BDBM50249055
(CHEMBL4067905)Show InChI InChI=1S/C12H8FN3/c13-10-3-4-12-9(6-10)7-15-16(12)11-2-1-5-14-8-11/h1-8H | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >8.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human CYP11B1-8C7 expressed in Chinese hamster V79 cells using 11-deoxycortisol as substrate preincubated for 1 hr followed by substrat... |
Bioorg Med Chem Lett 27: 2384-2388 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.021 BindingDB Entry DOI: 10.7270/Q2MC92F2 |
More data for this Ligand-Target Pair | |
Cytochrome P450 11B1, mitochondrial
(Homo sapiens (Human)) | BDBM50249065
(CHEMBL4063214)Show InChI InChI=1S/C15H14ClN3O/c1-15(2,20)11-5-13(9-17-8-11)19-14-6-12(16)4-3-10(14)7-18-19/h3-9,20H,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >8.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human CYP11B1-8C7 expressed in Chinese hamster V79 cells using 11-deoxycortisol as substrate preincubated for 1 hr followed by substrat... |
Bioorg Med Chem Lett 27: 2384-2388 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.021 BindingDB Entry DOI: 10.7270/Q2MC92F2 |
More data for this Ligand-Target Pair | |
Cytochrome P450 11B1, mitochondrial
(Homo sapiens (Human)) | BDBM50249066
(CHEMBL4076806)Show InChI InChI=1S/C16H14F3N3O/c1-15(2,23)12-5-13(9-20-8-12)22-14-6-11(16(17,18)19)4-3-10(14)7-21-22/h3-9,23H,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >8.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human CYP11B1-8C7 expressed in Chinese hamster V79 cells using 11-deoxycortisol as substrate preincubated for 1 hr followed by substrat... |
Bioorg Med Chem Lett 27: 2384-2388 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.021 BindingDB Entry DOI: 10.7270/Q2MC92F2 |
More data for this Ligand-Target Pair | |
Cytochrome P450 11B1, mitochondrial
(Homo sapiens (Human)) | BDBM50249073
(CHEMBL4099361)Show InChI InChI=1S/C16H14N4O/c1-16(2,21)13-6-14(10-18-9-13)20-15-4-3-11(7-17)5-12(15)8-19-20/h3-6,8-10,21H,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >8.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human CYP11B1-8C7 expressed in Chinese hamster V79 cells using 11-deoxycortisol as substrate preincubated for 1 hr followed by substrat... |
Bioorg Med Chem Lett 27: 2384-2388 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.021 BindingDB Entry DOI: 10.7270/Q2MC92F2 |
More data for this Ligand-Target Pair | |
Cytochrome P450 11B1, mitochondrial
(Homo sapiens (Human)) | BDBM50249084
(CHEMBL4089111)Show InChI InChI=1S/C12H7F2N3/c13-9-1-2-12-8(3-9)5-16-17(12)11-4-10(14)6-15-7-11/h1-7H | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >8.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human CYP11B1-8C7 expressed in Chinese hamster V79 cells using 11-deoxycortisol as substrate preincubated for 1 hr followed by substrat... |
Bioorg Med Chem Lett 27: 2384-2388 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.021 BindingDB Entry DOI: 10.7270/Q2MC92F2 |
More data for this Ligand-Target Pair | |
Cytochrome P450 11B1, mitochondrial
(Homo sapiens (Human)) | BDBM50249063
(CHEMBL4099223)Show InChI InChI=1S/C18H19N3O/c1-18(2,22)13-9-14(11-19-10-13)21-16-6-4-3-5-15(16)17(20-21)12-7-8-12/h3-6,9-12,22H,7-8H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >8.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human CYP11B1-8C7 expressed in Chinese hamster V79 cells using 11-deoxycortisol as substrate preincubated for 1 hr followed by substrat... |
Bioorg Med Chem Lett 27: 2384-2388 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.021 BindingDB Entry DOI: 10.7270/Q2MC92F2 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50249044
(CHEMBL4067000)Show InChI InChI=1S/C16H14F3N3O/c1-15(2,23)10-6-11(8-20-7-10)22-14-5-3-4-13(16(17,18)19)12(14)9-21-22/h3-9,23H,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 9.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of hepatic CYP2C9 (unknown origin) |
Bioorg Med Chem Lett 27: 2384-2388 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.021 BindingDB Entry DOI: 10.7270/Q2MC92F2 |
More data for this Ligand-Target Pair | |
Steroid 17-alpha-hydroxylase/17,20 lyase
(Homo sapiens (Human)) | BDBM50249044
(CHEMBL4067000)Show InChI InChI=1S/C16H14F3N3O/c1-15(2,23)10-6-11(8-20-7-10)22-14-5-3-4-13(16(17,18)19)12(14)9-21-22/h3-9,23H,1-2H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human CYP17 expressed in African green monkey COS7 cells using 17-hydroxypregnenolone as substrate preincubated for 1 hr followed by su... |
Bioorg Med Chem Lett 27: 2384-2388 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.021 BindingDB Entry DOI: 10.7270/Q2MC92F2 |
More data for this Ligand-Target Pair | |
Steroid 21-hydroxylase
(Homo sapiens (Human)) | BDBM50249045
(CHEMBL4098297)Show SMILES Cc1nn(-c2cncc(c2)[C@](C)(O)C(F)(F)F)c2ccccc12 |r| Show InChI InChI=1S/C16H14F3N3O/c1-10-13-5-3-4-6-14(13)22(21-10)12-7-11(8-20-9-12)15(2,23)16(17,18)19/h3-9,23H,1-2H3/t15-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human CYP21 expressed in African green monkey COS7 cells using 17-hydroxypregnenolone as substrate preincubated for 1 hr followed by su... |
Bioorg Med Chem Lett 27: 2384-2388 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.021 BindingDB Entry DOI: 10.7270/Q2MC92F2 |
More data for this Ligand-Target Pair | |
Steroid 21-hydroxylase
(Homo sapiens (Human)) | BDBM50249048
(CHEMBL4080256)Show SMILES Cc1nn(-c2cncc(c2)[C@@](C)(O)C(F)(F)F)c2ccccc12 |r| Show InChI InChI=1S/C16H14F3N3O/c1-10-13-5-3-4-6-14(13)22(21-10)12-7-11(8-20-9-12)15(2,23)16(17,18)19/h3-9,23H,1-2H3/t15-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human CYP21 expressed in African green monkey COS7 cells using 17-hydroxypregnenolone as substrate preincubated for 1 hr followed by su... |
Bioorg Med Chem Lett 27: 2384-2388 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.021 BindingDB Entry DOI: 10.7270/Q2MC92F2 |
More data for this Ligand-Target Pair | |
Steroid 21-hydroxylase
(Homo sapiens (Human)) | BDBM50249046
(CHEMBL4071689)Show SMILES C[C@](O)(c1cncc(c1)-n1nc(c2ccccc12)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C16H11F6N3O/c1-14(26,16(20,21)22)9-6-10(8-23-7-9)25-12-5-3-2-4-11(12)13(24-25)15(17,18)19/h2-8,26H,1H3/t14-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human CYP21 expressed in African green monkey COS7 cells using 17-hydroxypregnenolone as substrate preincubated for 1 hr followed by su... |
Bioorg Med Chem Lett 27: 2384-2388 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.021 BindingDB Entry DOI: 10.7270/Q2MC92F2 |
More data for this Ligand-Target Pair | |
Steroid 21-hydroxylase
(Homo sapiens (Human)) | BDBM50249044
(CHEMBL4067000)Show InChI InChI=1S/C16H14F3N3O/c1-15(2,23)10-6-11(8-20-7-10)22-14-5-3-4-13(16(17,18)19)12(14)9-21-22/h3-9,23H,1-2H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human CYP21 expressed in African green monkey COS7 cells using 17-hydroxypregnenolone as substrate preincubated for 1 hr followed by su... |
Bioorg Med Chem Lett 27: 2384-2388 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.021 BindingDB Entry DOI: 10.7270/Q2MC92F2 |
More data for this Ligand-Target Pair | |
Steroid 17-alpha-hydroxylase/17,20 lyase
(Homo sapiens (Human)) | BDBM50249045
(CHEMBL4098297)Show SMILES Cc1nn(-c2cncc(c2)[C@](C)(O)C(F)(F)F)c2ccccc12 |r| Show InChI InChI=1S/C16H14F3N3O/c1-10-13-5-3-4-6-14(13)22(21-10)12-7-11(8-20-9-12)15(2,23)16(17,18)19/h3-9,23H,1-2H3/t15-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human CYP17 expressed in African green monkey COS7 cells using 17-hydroxypregnenolone as substrate preincubated for 1 hr followed by su... |
Bioorg Med Chem Lett 27: 2384-2388 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.021 BindingDB Entry DOI: 10.7270/Q2MC92F2 |
More data for this Ligand-Target Pair | |
Steroid 17-alpha-hydroxylase/17,20 lyase
(Homo sapiens (Human)) | BDBM50249048
(CHEMBL4080256)Show SMILES Cc1nn(-c2cncc(c2)[C@@](C)(O)C(F)(F)F)c2ccccc12 |r| Show InChI InChI=1S/C16H14F3N3O/c1-10-13-5-3-4-6-14(13)22(21-10)12-7-11(8-20-9-12)15(2,23)16(17,18)19/h3-9,23H,1-2H3/t15-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human CYP17 expressed in African green monkey COS7 cells using 17-hydroxypregnenolone as substrate preincubated for 1 hr followed by su... |
Bioorg Med Chem Lett 27: 2384-2388 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.021 BindingDB Entry DOI: 10.7270/Q2MC92F2 |
More data for this Ligand-Target Pair | |
Steroid 17-alpha-hydroxylase/17,20 lyase
(Homo sapiens (Human)) | BDBM50249047
(CHEMBL4080420)Show InChI InChI=1S/C16H16FN3O/c1-10-15-13(17)5-4-6-14(15)20(19-10)12-7-11(8-18-9-12)16(2,3)21/h4-9,21H,1-3H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human CYP17 expressed in African green monkey COS7 cells using 17-hydroxypregnenolone as substrate preincubated for 1 hr followed by su... |
Bioorg Med Chem Lett 27: 2384-2388 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.021 BindingDB Entry DOI: 10.7270/Q2MC92F2 |
More data for this Ligand-Target Pair | |
Steroid 17-alpha-hydroxylase/17,20 lyase
(Homo sapiens (Human)) | BDBM50249046
(CHEMBL4071689)Show SMILES C[C@](O)(c1cncc(c1)-n1nc(c2ccccc12)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C16H11F6N3O/c1-14(26,16(20,21)22)9-6-10(8-23-7-9)25-12-5-3-2-4-11(12)13(24-25)15(17,18)19/h2-8,26H,1H3/t14-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human CYP17 expressed in African green monkey COS7 cells using 17-hydroxypregnenolone as substrate preincubated for 1 hr followed by su... |
Bioorg Med Chem Lett 27: 2384-2388 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.021 BindingDB Entry DOI: 10.7270/Q2MC92F2 |
More data for this Ligand-Target Pair | |
Steroid 21-hydroxylase
(Homo sapiens (Human)) | BDBM50249047
(CHEMBL4080420)Show InChI InChI=1S/C16H16FN3O/c1-10-15-13(17)5-4-6-14(15)20(19-10)12-7-11(8-18-9-12)16(2,3)21/h4-9,21H,1-3H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human CYP21 expressed in African green monkey COS7 cells using 17-hydroxypregnenolone as substrate preincubated for 1 hr followed by su... |
Bioorg Med Chem Lett 27: 2384-2388 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.021 BindingDB Entry DOI: 10.7270/Q2MC92F2 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50249045
(CHEMBL4098297)Show SMILES Cc1nn(-c2cncc(c2)[C@](C)(O)C(F)(F)F)c2ccccc12 |r| Show InChI InChI=1S/C16H14F3N3O/c1-10-13-5-3-4-6-14(13)22(21-10)12-7-11(8-20-9-12)15(2,23)16(17,18)19/h3-9,23H,1-2H3/t15-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of hepatic CYP2C9 (unknown origin) |
Bioorg Med Chem Lett 27: 2384-2388 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.021 BindingDB Entry DOI: 10.7270/Q2MC92F2 |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50249044
(CHEMBL4067000)Show InChI InChI=1S/C16H14F3N3O/c1-15(2,23)10-6-11(8-20-7-10)22-14-5-3-4-13(16(17,18)19)12(14)9-21-22/h3-9,23H,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 4.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of hepatic CYP3A4 (unknown origin) |
Bioorg Med Chem Lett 27: 2384-2388 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.021 BindingDB Entry DOI: 10.7270/Q2MC92F2 |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50249046
(CHEMBL4071689)Show SMILES C[C@](O)(c1cncc(c1)-n1nc(c2ccccc12)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C16H11F6N3O/c1-14(26,16(20,21)22)9-6-10(8-23-7-9)25-12-5-3-2-4-11(12)13(24-25)15(17,18)19/h2-8,26H,1H3/t14-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of hepatic CYP3A4 (unknown origin) |
Bioorg Med Chem Lett 27: 2384-2388 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.021 BindingDB Entry DOI: 10.7270/Q2MC92F2 |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50249047
(CHEMBL4080420)Show InChI InChI=1S/C16H16FN3O/c1-10-15-13(17)5-4-6-14(15)20(19-10)12-7-11(8-18-9-12)16(2,3)21/h4-9,21H,1-3H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of hepatic CYP3A4 (unknown origin) |
Bioorg Med Chem Lett 27: 2384-2388 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.021 BindingDB Entry DOI: 10.7270/Q2MC92F2 |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50249045
(CHEMBL4098297)Show SMILES Cc1nn(-c2cncc(c2)[C@](C)(O)C(F)(F)F)c2ccccc12 |r| Show InChI InChI=1S/C16H14F3N3O/c1-10-13-5-3-4-6-14(13)22(21-10)12-7-11(8-20-9-12)15(2,23)16(17,18)19/h3-9,23H,1-2H3/t15-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| 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 |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of hepatic CYP3A4 (unknown origin) |
Bioorg Med Chem Lett 27: 2384-2388 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.021 BindingDB Entry DOI: 10.7270/Q2MC92F2 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50249046
(CHEMBL4071689)Show SMILES C[C@](O)(c1cncc(c1)-n1nc(c2ccccc12)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C16H11F6N3O/c1-14(26,16(20,21)22)9-6-10(8-23-7-9)25-12-5-3-2-4-11(12)13(24-25)15(17,18)19/h2-8,26H,1H3/t14-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of hepatic CYP2D6 (unknown origin) |
Bioorg Med Chem Lett 27: 2384-2388 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.021 BindingDB Entry DOI: 10.7270/Q2MC92F2 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50249047
(CHEMBL4080420)Show InChI InChI=1S/C16H16FN3O/c1-10-15-13(17)5-4-6-14(15)20(19-10)12-7-11(8-18-9-12)16(2,3)21/h4-9,21H,1-3H3 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of hepatic CYP2D6 (unknown origin) |
Bioorg Med Chem Lett 27: 2384-2388 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.021 BindingDB Entry DOI: 10.7270/Q2MC92F2 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50249045
(CHEMBL4098297)Show SMILES Cc1nn(-c2cncc(c2)[C@](C)(O)C(F)(F)F)c2ccccc12 |r| Show InChI InChI=1S/C16H14F3N3O/c1-10-13-5-3-4-6-14(13)22(21-10)12-7-11(8-20-9-12)15(2,23)16(17,18)19/h3-9,23H,1-2H3/t15-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| 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 |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of hepatic CYP2D6 (unknown origin) |
Bioorg Med Chem Lett 27: 2384-2388 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.021 BindingDB Entry DOI: 10.7270/Q2MC92F2 |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50249048
(CHEMBL4080256)Show SMILES Cc1nn(-c2cncc(c2)[C@@](C)(O)C(F)(F)F)c2ccccc12 |r| Show InChI InChI=1S/C16H14F3N3O/c1-10-13-5-3-4-6-14(13)22(21-10)12-7-11(8-20-9-12)15(2,23)16(17,18)19/h3-9,23H,1-2H3/t15-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of hepatic CYP3A4 (unknown origin) |
Bioorg Med Chem Lett 27: 2384-2388 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.021 BindingDB Entry DOI: 10.7270/Q2MC92F2 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50249048
(CHEMBL4080256)Show SMILES Cc1nn(-c2cncc(c2)[C@@](C)(O)C(F)(F)F)c2ccccc12 |r| Show InChI InChI=1S/C16H14F3N3O/c1-10-13-5-3-4-6-14(13)22(21-10)12-7-11(8-20-9-12)15(2,23)16(17,18)19/h3-9,23H,1-2H3/t15-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of hepatic CYP2D6 (unknown origin) |
Bioorg Med Chem Lett 27: 2384-2388 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.021 BindingDB Entry DOI: 10.7270/Q2MC92F2 |
More data for this Ligand-Target Pair | |