Found 73 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 11B2, mitochondrial
(Homo sapiens (Human)) | BDBM50206963
(CHEMBL3948337 | US9518055, Example 41)Show InChI InChI=1S/C19H14FN3/c20-14-7-8-17-22-18(19(12-5-6-12)23(17)11-14)16-10-21-9-13-3-1-2-4-15(13)16/h1-4,7-12H,5-6H2 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck USA
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: 143-146 (2017)
Article DOI: 10.1016/j.bmcl.2016.12.003
BindingDB Entry DOI: 10.7270/Q20K2BK0 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 11B2, mitochondrial
(Homo sapiens (Human)) | BDBM50206970
(CHEMBL3968397)Show InChI InChI=1S/C16H16FN3O/c1-10-15(19-14-5-4-13(17)9-20(10)14)11-6-12(8-18-7-11)16(2,3)21/h4-9,21H,1-3H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck USA
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: 143-146 (2017)
Article DOI: 10.1016/j.bmcl.2016.12.003
BindingDB Entry DOI: 10.7270/Q20K2BK0 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 11B2, mitochondrial
(Homo sapiens (Human)) | BDBM50206978
(CHEMBL3976931)Show InChI InChI=1S/C15H13ClFN3O/c1-15(2,21)10-5-9(6-18-7-10)13-14(16)20-8-11(17)3-4-12(20)19-13/h3-8,21H,1-2H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck USA
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: 143-146 (2017)
Article DOI: 10.1016/j.bmcl.2016.12.003
BindingDB Entry DOI: 10.7270/Q20K2BK0 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 11B2, mitochondrial
(Homo sapiens (Human)) | BDBM50092153
(CHEMBL3582478)Show InChI InChI=1S/C43H54N6O6/c1-5-28(4)39-42(53)44-22-11-23-55-32-19-16-30(17-20-32)25-36(41(52)49-39)45-26-37(50)35(24-29-12-7-6-8-13-29)47-43(54)38(27(2)3)48-40(51)34-21-18-31-14-9-10-15-33(31)46-34/h6-10,12-21,27-28,35-39,45,50H,5,11,22-26H2,1-4H3,(H,44,53)(H,47,54)(H,48,51)(H,49,52)/t28?,35-,36-,37+,38-,39-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck USA
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: 143-146 (2017)
Article DOI: 10.1016/j.bmcl.2016.12.003
BindingDB Entry DOI: 10.7270/Q20K2BK0 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 11B2, mitochondrial
(Homo sapiens (Human)) | BDBM50206974
(CHEMBL3930836)Show InChI InChI=1S/C17H14FN3O2/c1-23-17(22)12-6-11(7-19-8-12)15-16(10-2-3-10)21-9-13(18)4-5-14(21)20-15/h4-10H,2-3H2,1H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck USA
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: 143-146 (2017)
Article DOI: 10.1016/j.bmcl.2016.12.003
BindingDB Entry DOI: 10.7270/Q20K2BK0 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 11B2, mitochondrial
(Homo sapiens (Human)) | BDBM50206972
(CHEMBL3911595 | US9518055, Example 29)Show InChI InChI=1S/C16H14FN3/c1-10-6-12(8-18-7-10)15-16(11-2-3-11)20-9-13(17)4-5-14(20)19-15/h4-9,11H,2-3H2,1H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 3.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck USA
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: 143-146 (2017)
Article DOI: 10.1016/j.bmcl.2016.12.003
BindingDB Entry DOI: 10.7270/Q20K2BK0 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 11B2, mitochondrial
(Homo sapiens (Human)) | BDBM50206969
(CHEMBL3930572 | US9518055, Example 34)Show InChI InChI=1S/C16H14FN3O/c1-21-13-6-11(7-18-8-13)15-16(10-2-3-10)20-9-12(17)4-5-14(20)19-15/h4-10H,2-3H2,1H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck USA
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: 143-146 (2017)
Article DOI: 10.1016/j.bmcl.2016.12.003
BindingDB Entry DOI: 10.7270/Q20K2BK0 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 11B2, mitochondrial
(Homo sapiens (Human)) | BDBM50206971
(CHEMBL3935155)Show SMILES C[C@@](O)(c1cncc(c1)-c1nc2ccc(F)cn2c1C1CC1)C(F)(F)F |r| Show InChI InChI=1S/C18H15F4N3O/c1-17(26,18(20,21)22)12-6-11(7-23-8-12)15-16(10-2-3-10)25-9-13(19)4-5-14(25)24-15/h4-10,26H,2-3H2,1H3/t17-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 4.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck USA
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: 143-146 (2017)
Article DOI: 10.1016/j.bmcl.2016.12.003
BindingDB Entry DOI: 10.7270/Q20K2BK0 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 11B2, mitochondrial
(Homo sapiens (Human)) | BDBM50206967
(CHEMBL3942187)Show SMILES C[C@](O)(c1cncc(c1)-c1nc2ccc(cn2c1C1CC1)C#N)C(F)(F)F |r| Show InChI InChI=1S/C19H15F3N4O/c1-18(27,19(20,21)22)14-6-13(8-24-9-14)16-17(12-3-4-12)26-10-11(7-23)2-5-15(26)25-16/h2,5-6,8-10,12,27H,3-4H2,1H3/t18-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck USA
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: 143-146 (2017)
Article DOI: 10.1016/j.bmcl.2016.12.003
BindingDB Entry DOI: 10.7270/Q20K2BK0 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 11B2, mitochondrial
(Homo sapiens (Human)) | BDBM50206973
(CHEMBL3939565)Show SMILES Fc1ccc2nc(c(C3CC3)n2c1)-c1cncc(c1)-c1ccccc1 Show InChI InChI=1S/C21H16FN3/c22-18-8-9-19-24-20(21(15-6-7-15)25(19)13-18)17-10-16(11-23-12-17)14-4-2-1-3-5-14/h1-5,8-13,15H,6-7H2 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 6.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck USA
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: 143-146 (2017)
Article DOI: 10.1016/j.bmcl.2016.12.003
BindingDB Entry DOI: 10.7270/Q20K2BK0 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 11B2, mitochondrial
(Homo sapiens (Human)) | BDBM50206975
(CHEMBL3919759)Show InChI InChI=1S/C17H15F2N3/c1-2-12-13(7-20-8-14(12)19)16-17(10-3-4-10)22-9-11(18)5-6-15(22)21-16/h5-10H,2-4H2,1H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck USA
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: 143-146 (2017)
Article DOI: 10.1016/j.bmcl.2016.12.003
BindingDB Entry DOI: 10.7270/Q20K2BK0 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 11B2, mitochondrial
(Homo sapiens (Human)) | BDBM50206955
(CHEMBL3923127)Show SMILES C[C@](O)(c1cncc(c1)-c1nc2ccc(F)cn2c1C1CC1)C(F)(F)F |r| Show InChI InChI=1S/C18H15F4N3O/c1-17(26,18(20,21)22)12-6-11(7-23-8-12)15-16(10-2-3-10)25-9-13(19)4-5-14(25)24-15/h4-10,26H,2-3H2,1H3/t17-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck USA
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: 143-146 (2017)
Article DOI: 10.1016/j.bmcl.2016.12.003
BindingDB Entry DOI: 10.7270/Q20K2BK0 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 11B2, mitochondrial
(Homo sapiens (Human)) | BDBM50206979
(CHEMBL3951973)Show InChI InChI=1S/C15H10ClF2N3/c16-11-7-21-13(4-12(11)18)20-14(15(21)8-1-2-8)9-3-10(17)6-19-5-9/h3-8H,1-2H2 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 7.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck USA
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: 143-146 (2017)
Article DOI: 10.1016/j.bmcl.2016.12.003
BindingDB Entry DOI: 10.7270/Q20K2BK0 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 11B2, mitochondrial
(Homo sapiens (Human)) | BDBM50206959
(CHEMBL3924257)Show InChI InChI=1S/C16H13F2N3/c1-9-12(6-19-7-13(9)18)15-16(10-2-3-10)21-8-11(17)4-5-14(21)20-15/h4-8,10H,2-3H2,1H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck USA
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: 143-146 (2017)
Article DOI: 10.1016/j.bmcl.2016.12.003
BindingDB Entry DOI: 10.7270/Q20K2BK0 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 11B2, mitochondrial
(Homo sapiens (Human)) | BDBM50206957
(CHEMBL3902584 | US9518055, Example 35)Show InChI InChI=1S/C16H11F4N3/c17-12-3-4-13-22-14(15(9-1-2-9)23(13)8-12)10-5-11(7-21-6-10)16(18,19)20/h3-9H,1-2H2 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck USA
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: 143-146 (2017)
Article DOI: 10.1016/j.bmcl.2016.12.003
BindingDB Entry DOI: 10.7270/Q20K2BK0 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 11B2, mitochondrial
(Homo sapiens (Human)) | BDBM50206976
(CHEMBL3938856)Show InChI InChI=1S/C18H18FN3O/c1-18(2,23)13-7-12(8-20-9-13)16-17(11-3-4-11)22-10-14(19)5-6-15(22)21-16/h5-11,23H,3-4H2,1-2H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck USA
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: 143-146 (2017)
Article DOI: 10.1016/j.bmcl.2016.12.003
BindingDB Entry DOI: 10.7270/Q20K2BK0 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 11B2, mitochondrial
(Homo sapiens (Human)) | BDBM50206956
(CHEMBL3895156)Show InChI InChI=1S/C16H13FN4O/c1-16(2,22)11-5-10(7-19-8-11)15-13(6-18)21-9-12(17)3-4-14(21)20-15/h3-5,7-9,22H,1-2H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck USA
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: 143-146 (2017)
Article DOI: 10.1016/j.bmcl.2016.12.003
BindingDB Entry DOI: 10.7270/Q20K2BK0 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 11B2, mitochondrial
(Homo sapiens (Human)) | BDBM50206958
(CHEMBL3933209)Show InChI InChI=1S/C15H11ClFN3/c16-11-3-4-13-19-14(10-5-12(17)7-18-6-10)15(9-1-2-9)20(13)8-11/h3-9H,1-2H2 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck USA
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: 143-146 (2017)
Article DOI: 10.1016/j.bmcl.2016.12.003
BindingDB Entry DOI: 10.7270/Q20K2BK0 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 11B2, mitochondrial
(Homo sapiens (Human)) | BDBM50206961
(CHEMBL3893614 | US9518055, Example 31)Show InChI InChI=1S/C15H11F2N3/c16-11-3-4-13-19-14(10-5-12(17)7-18-6-10)15(9-1-2-9)20(13)8-11/h3-9H,1-2H2 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck USA
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: 143-146 (2017)
Article DOI: 10.1016/j.bmcl.2016.12.003
BindingDB Entry DOI: 10.7270/Q20K2BK0 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 11B2, mitochondrial
(Homo sapiens (Human)) | BDBM50206977
(CHEMBL3971797)Show SMILES C[C@](O)(c1cncc(c1)-c1nc2cc(F)ccn2c1C1CC1)C(F)(F)F |r| Show InChI InChI=1S/C18H15F4N3O/c1-17(26,18(20,21)22)12-6-11(8-23-9-12)15-16(10-2-3-10)25-5-4-13(19)7-14(25)24-15/h4-10,26H,2-3H2,1H3/t17-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck USA
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: 143-146 (2017)
Article DOI: 10.1016/j.bmcl.2016.12.003
BindingDB Entry DOI: 10.7270/Q20K2BK0 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 11B1, mitochondrial
(Homo sapiens (Human)) | BDBM50206978
(CHEMBL3976931)Show InChI InChI=1S/C15H13ClFN3O/c1-15(2,21)10-5-9(6-18-7-10)13-14(16)20-8-11(17)3-4-12(20)19-13/h3-8,21H,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 33 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck USA
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: 143-146 (2017)
Article DOI: 10.1016/j.bmcl.2016.12.003
BindingDB Entry DOI: 10.7270/Q20K2BK0 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 11B2, mitochondrial
(Homo sapiens (Human)) | BDBM50206964
(CHEMBL3920534)Show SMILES CCS(=O)(=O)NCc1cncc(c1)-c1nc2ccc(F)cn2c1C1CC1 Show InChI InChI=1S/C18H19FN4O2S/c1-2-26(24,25)21-9-12-7-14(10-20-8-12)17-18(13-3-4-13)23-11-15(19)5-6-16(23)22-17/h5-8,10-11,13,21H,2-4,9H2,1H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 33 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck USA
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: 143-146 (2017)
Article DOI: 10.1016/j.bmcl.2016.12.003
BindingDB Entry DOI: 10.7270/Q20K2BK0 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 11B1, mitochondrial
(Homo sapiens (Human)) | BDBM50206970
(CHEMBL3968397)Show InChI InChI=1S/C16H16FN3O/c1-10-15(19-14-5-4-13(17)9-20(10)14)11-6-12(8-18-7-11)16(2,3)21/h4-9,21H,1-3H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 37 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck USA
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: 143-146 (2017)
Article DOI: 10.1016/j.bmcl.2016.12.003
BindingDB Entry DOI: 10.7270/Q20K2BK0 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 11B2, mitochondrial
(Homo sapiens (Human)) | BDBM50206968
(CHEMBL3947646)Show InChI InChI=1S/C15H14FN3O/c1-15(2,20)11-5-10(6-17-7-11)13-9-19-8-12(16)3-4-14(19)18-13/h3-9,20H,1-2H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 52 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck USA
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: 143-146 (2017)
Article DOI: 10.1016/j.bmcl.2016.12.003
BindingDB Entry DOI: 10.7270/Q20K2BK0 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 11B2, mitochondrial
(Homo sapiens (Human)) | BDBM50206962
(CHEMBL3960669)Show InChI InChI=1S/C15H11F2N3/c16-11-3-4-20-13(6-11)19-14(15(20)9-1-2-9)10-5-12(17)8-18-7-10/h3-9H,1-2H2 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 98 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck USA
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: 143-146 (2017)
Article DOI: 10.1016/j.bmcl.2016.12.003
BindingDB Entry DOI: 10.7270/Q20K2BK0 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 11B1, mitochondrial
(Homo sapiens (Human)) | BDBM50092153
(CHEMBL3582478)Show InChI InChI=1S/C43H54N6O6/c1-5-28(4)39-42(53)44-22-11-23-55-32-19-16-30(17-20-32)25-36(41(52)49-39)45-26-37(50)35(24-29-12-7-6-8-13-29)47-43(54)38(27(2)3)48-40(51)34-21-18-31-14-9-10-15-33(31)46-34/h6-10,12-21,27-28,35-39,45,50H,5,11,22-26H2,1-4H3,(H,44,53)(H,47,54)(H,48,51)(H,49,52)/t28?,35-,36-,37+,38-,39-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| Purchase
CHEMBL
MCE
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 |
Merck USA
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: 143-146 (2017)
Article DOI: 10.1016/j.bmcl.2016.12.003
BindingDB Entry DOI: 10.7270/Q20K2BK0 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 11B1, mitochondrial
(Homo sapiens (Human)) | BDBM50206963
(CHEMBL3948337 | US9518055, Example 41)Show InChI InChI=1S/C19H14FN3/c20-14-7-8-17-22-18(19(12-5-6-12)23(17)11-14)16-10-21-9-13-3-1-2-4-15(13)16/h1-4,7-12H,5-6H2 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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 |
Merck USA
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: 143-146 (2017)
Article DOI: 10.1016/j.bmcl.2016.12.003
BindingDB Entry DOI: 10.7270/Q20K2BK0 |
More data for this
Ligand-Target Pair | |
Aromatase
(Homo sapiens (Human)) | BDBM50206975
(CHEMBL3919759)Show InChI InChI=1S/C17H15F2N3/c1-2-12-13(7-20-8-14(12)19)16-17(10-3-4-10)22-9-11(18)5-6-15(22)21-16/h5-10H,2-4H2,1H3 | 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 | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck USA
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: 143-146 (2017)
Article DOI: 10.1016/j.bmcl.2016.12.003
BindingDB Entry DOI: 10.7270/Q20K2BK0 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 11B2, mitochondrial
(Homo sapiens (Human)) | BDBM50206965
(CHEMBL3921629)Show InChI InChI=1S/C16H11FN4/c17-13-3-4-14-20-15(12-5-10(6-18)7-19-8-12)16(11-1-2-11)21(14)9-13/h3-5,7-9,11H,1-2H2 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 160 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck USA
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: 143-146 (2017)
Article DOI: 10.1016/j.bmcl.2016.12.003
BindingDB Entry DOI: 10.7270/Q20K2BK0 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 11B1, mitochondrial
(Homo sapiens (Human)) | BDBM50206967
(CHEMBL3942187)Show SMILES C[C@](O)(c1cncc(c1)-c1nc2ccc(cn2c1C1CC1)C#N)C(F)(F)F |r| Show InChI InChI=1S/C19H15F3N4O/c1-18(27,19(20,21)22)14-6-13(8-24-9-14)16-17(12-3-4-12)26-10-11(7-23)2-5-15(26)25-16/h2,5-6,8-10,12,27H,3-4H2,1H3/t18-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 220 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck USA
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: 143-146 (2017)
Article DOI: 10.1016/j.bmcl.2016.12.003
BindingDB Entry DOI: 10.7270/Q20K2BK0 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 11B1, mitochondrial
(Homo sapiens (Human)) | BDBM50206971
(CHEMBL3935155)Show SMILES C[C@@](O)(c1cncc(c1)-c1nc2ccc(F)cn2c1C1CC1)C(F)(F)F |r| Show InChI InChI=1S/C18H15F4N3O/c1-17(26,18(20,21)22)12-6-11(7-23-8-12)15-16(10-2-3-10)25-9-13(19)4-5-14(25)24-15/h4-10,26H,2-3H2,1H3/t17-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 250 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck USA
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: 143-146 (2017)
Article DOI: 10.1016/j.bmcl.2016.12.003
BindingDB Entry DOI: 10.7270/Q20K2BK0 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 11B1, mitochondrial
(Homo sapiens (Human)) | BDBM50206972
(CHEMBL3911595 | US9518055, Example 29)Show InChI InChI=1S/C16H14FN3/c1-10-6-12(8-18-7-10)15-16(11-2-3-11)20-9-13(17)4-5-14(20)19-15/h4-9,11H,2-3H2,1H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 280 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck USA
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: 143-146 (2017)
Article DOI: 10.1016/j.bmcl.2016.12.003
BindingDB Entry DOI: 10.7270/Q20K2BK0 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 11B1, mitochondrial
(Homo sapiens (Human)) | BDBM50206973
(CHEMBL3939565)Show SMILES Fc1ccc2nc(c(C3CC3)n2c1)-c1cncc(c1)-c1ccccc1 Show InChI InChI=1S/C21H16FN3/c22-18-8-9-19-24-20(21(15-6-7-15)25(19)13-18)17-10-16(11-23-12-17)14-4-2-1-3-5-14/h1-5,8-13,15H,6-7H2 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck USA
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: 143-146 (2017)
Article DOI: 10.1016/j.bmcl.2016.12.003
BindingDB Entry DOI: 10.7270/Q20K2BK0 |
More data for this
Ligand-Target Pair | |
Aromatase
(Homo sapiens (Human)) | BDBM50206959
(CHEMBL3924257)Show InChI InChI=1S/C16H13F2N3/c1-9-12(6-19-7-13(9)18)15-16(10-2-3-10)21-8-11(17)4-5-14(21)20-15/h4-8,10H,2-3H2,1H3 | 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 | 420 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck USA
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: 143-146 (2017)
Article DOI: 10.1016/j.bmcl.2016.12.003
BindingDB Entry DOI: 10.7270/Q20K2BK0 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 11B1, mitochondrial
(Homo sapiens (Human)) | BDBM50206955
(CHEMBL3923127)Show SMILES C[C@](O)(c1cncc(c1)-c1nc2ccc(F)cn2c1C1CC1)C(F)(F)F |r| Show InChI InChI=1S/C18H15F4N3O/c1-17(26,18(20,21)22)12-6-11(7-23-8-12)15-16(10-2-3-10)25-9-13(19)4-5-14(25)24-15/h4-10,26H,2-3H2,1H3/t17-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 460 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck USA
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: 143-146 (2017)
Article DOI: 10.1016/j.bmcl.2016.12.003
BindingDB Entry DOI: 10.7270/Q20K2BK0 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 11B1, mitochondrial
(Homo sapiens (Human)) | BDBM50206964
(CHEMBL3920534)Show SMILES CCS(=O)(=O)NCc1cncc(c1)-c1nc2ccc(F)cn2c1C1CC1 Show InChI InChI=1S/C18H19FN4O2S/c1-2-26(24,25)21-9-12-7-14(10-20-8-12)17-18(13-3-4-13)23-11-15(19)5-6-16(23)22-17/h5-8,10-11,13,21H,2-4,9H2,1H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 490 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck USA
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: 143-146 (2017)
Article DOI: 10.1016/j.bmcl.2016.12.003
BindingDB Entry DOI: 10.7270/Q20K2BK0 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 11B1, mitochondrial
(Homo sapiens (Human)) | BDBM50206969
(CHEMBL3930572 | US9518055, Example 34)Show InChI InChI=1S/C16H14FN3O/c1-21-13-6-11(7-18-8-13)15-16(10-2-3-10)20-9-12(17)4-5-14(20)19-15/h4-10H,2-3H2,1H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 530 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck USA
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: 143-146 (2017)
Article DOI: 10.1016/j.bmcl.2016.12.003
BindingDB Entry DOI: 10.7270/Q20K2BK0 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 11B1, mitochondrial
(Homo sapiens (Human)) | BDBM50206957
(CHEMBL3902584 | US9518055, Example 35)Show InChI InChI=1S/C16H11F4N3/c17-12-3-4-13-22-14(15(9-1-2-9)23(13)8-12)10-5-11(7-21-6-10)16(18,19)20/h3-9H,1-2H2 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 590 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck USA
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: 143-146 (2017)
Article DOI: 10.1016/j.bmcl.2016.12.003
BindingDB Entry DOI: 10.7270/Q20K2BK0 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 11B1, mitochondrial
(Homo sapiens (Human)) | BDBM50206956
(CHEMBL3895156)Show InChI InChI=1S/C16H13FN4O/c1-16(2,22)11-5-10(7-19-8-11)15-13(6-18)21-9-12(17)3-4-14(21)20-15/h3-5,7-9,22H,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 600 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck USA
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: 143-146 (2017)
Article DOI: 10.1016/j.bmcl.2016.12.003
BindingDB Entry DOI: 10.7270/Q20K2BK0 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 11B1, mitochondrial
(Homo sapiens (Human)) | BDBM50206977
(CHEMBL3971797)Show SMILES C[C@](O)(c1cncc(c1)-c1nc2cc(F)ccn2c1C1CC1)C(F)(F)F |r| Show InChI InChI=1S/C18H15F4N3O/c1-17(26,18(20,21)22)12-6-11(8-23-9-12)15-16(10-2-3-10)25-5-4-13(19)7-14(25)24-15/h4-10,26H,2-3H2,1H3/t17-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 630 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck USA
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: 143-146 (2017)
Article DOI: 10.1016/j.bmcl.2016.12.003
BindingDB Entry DOI: 10.7270/Q20K2BK0 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 11B1, mitochondrial
(Homo sapiens (Human)) | BDBM50206974
(CHEMBL3930836)Show InChI InChI=1S/C17H14FN3O2/c1-23-17(22)12-6-11(7-19-8-12)15-16(10-2-3-10)21-9-13(18)4-5-14(21)20-15/h4-10H,2-3H2,1H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 640 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck USA
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: 143-146 (2017)
Article DOI: 10.1016/j.bmcl.2016.12.003
BindingDB Entry DOI: 10.7270/Q20K2BK0 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 11B1, mitochondrial
(Homo sapiens (Human)) | BDBM50206979
(CHEMBL3951973)Show InChI InChI=1S/C15H10ClF2N3/c16-11-7-21-13(4-12(11)18)20-14(15(21)8-1-2-8)9-3-10(17)6-19-5-9/h3-8H,1-2H2 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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PC cid
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| Article
PubMed
| n/a | n/a | 760 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck USA
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: 143-146 (2017)
Article DOI: 10.1016/j.bmcl.2016.12.003
BindingDB Entry DOI: 10.7270/Q20K2BK0 |
More data for this
Ligand-Target Pair | |
Aromatase
(Homo sapiens (Human)) | BDBM50206963
(CHEMBL3948337 | US9518055, Example 41)Show InChI InChI=1S/C19H14FN3/c20-14-7-8-17-22-18(19(12-5-6-12)23(17)11-14)16-10-21-9-13-3-1-2-4-15(13)16/h1-4,7-12H,5-6H2 | 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 | 790 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck USA
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: 143-146 (2017)
Article DOI: 10.1016/j.bmcl.2016.12.003
BindingDB Entry DOI: 10.7270/Q20K2BK0 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 11B1, mitochondrial
(Homo sapiens (Human)) | BDBM50206975
(CHEMBL3919759)Show InChI InChI=1S/C17H15F2N3/c1-2-12-13(7-20-8-14(12)19)16-17(10-3-4-10)22-9-11(18)5-6-15(22)21-16/h5-10H,2-4H2,1H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 800 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck USA
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: 143-146 (2017)
Article DOI: 10.1016/j.bmcl.2016.12.003
BindingDB Entry DOI: 10.7270/Q20K2BK0 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 11B1, mitochondrial
(Homo sapiens (Human)) | BDBM50206976
(CHEMBL3938856)Show InChI InChI=1S/C18H18FN3O/c1-18(2,23)13-7-12(8-20-9-13)16-17(11-3-4-11)22-10-14(19)5-6-15(22)21-16/h5-11,23H,3-4H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 830 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck USA
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: 143-146 (2017)
Article DOI: 10.1016/j.bmcl.2016.12.003
BindingDB Entry DOI: 10.7270/Q20K2BK0 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 11B1, mitochondrial
(Homo sapiens (Human)) | BDBM50206968
(CHEMBL3947646)Show InChI InChI=1S/C15H14FN3O/c1-15(2,20)11-5-10(6-17-7-11)13-9-19-8-12(16)3-4-14(19)18-13/h3-9,20H,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 880 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck USA
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: 143-146 (2017)
Article DOI: 10.1016/j.bmcl.2016.12.003
BindingDB Entry DOI: 10.7270/Q20K2BK0 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 11B1, mitochondrial
(Homo sapiens (Human)) | BDBM50206959
(CHEMBL3924257)Show InChI InChI=1S/C16H13F2N3/c1-9-12(6-19-7-13(9)18)15-16(10-2-3-10)21-8-11(17)4-5-14(21)20-15/h4-8,10H,2-3H2,1H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 930 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck USA
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: 143-146 (2017)
Article DOI: 10.1016/j.bmcl.2016.12.003
BindingDB Entry DOI: 10.7270/Q20K2BK0 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 11B1, mitochondrial
(Homo sapiens (Human)) | BDBM50206958
(CHEMBL3933209)Show InChI InChI=1S/C15H11ClFN3/c16-11-3-4-13-19-14(10-5-12(17)7-18-6-10)15(9-1-2-9)20(13)8-11/h3-9H,1-2H2 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck USA
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: 143-146 (2017)
Article DOI: 10.1016/j.bmcl.2016.12.003
BindingDB Entry DOI: 10.7270/Q20K2BK0 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 11B1, mitochondrial
(Homo sapiens (Human)) | BDBM50206961
(CHEMBL3893614 | US9518055, Example 31)Show InChI InChI=1S/C15H11F2N3/c16-11-3-4-13-19-14(10-5-12(17)7-18-6-10)15(9-1-2-9)20(13)8-11/h3-9H,1-2H2 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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 |
Merck USA
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: 143-146 (2017)
Article DOI: 10.1016/j.bmcl.2016.12.003
BindingDB Entry DOI: 10.7270/Q20K2BK0 |
More data for this
Ligand-Target Pair | |
Aromatase
(Homo sapiens (Human)) | BDBM50206961
(CHEMBL3893614 | US9518055, Example 31)Show InChI InChI=1S/C15H11F2N3/c16-11-3-4-13-19-14(10-5-12(17)7-18-6-10)15(9-1-2-9)20(13)8-11/h3-9H,1-2H2 | 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 | 2.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck USA
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: 143-146 (2017)
Article DOI: 10.1016/j.bmcl.2016.12.003
BindingDB Entry DOI: 10.7270/Q20K2BK0 |
More data for this
Ligand-Target Pair | |
Aromatase
(Homo sapiens (Human)) | BDBM50206979
(CHEMBL3951973)Show InChI InChI=1S/C15H10ClF2N3/c16-11-7-21-13(4-12(11)18)20-14(15(21)8-1-2-8)9-3-10(17)6-19-5-9/h3-8H,1-2H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck USA
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: 143-146 (2017)
Article DOI: 10.1016/j.bmcl.2016.12.003
BindingDB Entry DOI: 10.7270/Q20K2BK0 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50206975
(CHEMBL3919759)Show InChI InChI=1S/C17H15F2N3/c1-2-12-13(7-20-8-14(12)19)16-17(10-3-4-10)22-9-11(18)5-6-15(22)21-16/h5-10H,2-4H2,1H3 | 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 | 2.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck USA
Curated by ChEMBL
| Assay Description
Inhibition of hepatic CYP3A4 (unknown origin) |
Bioorg Med Chem Lett 27: 143-146 (2017)
Article DOI: 10.1016/j.bmcl.2016.12.003
BindingDB Entry DOI: 10.7270/Q20K2BK0 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50206963
(CHEMBL3948337 | US9518055, Example 41)Show InChI InChI=1S/C19H14FN3/c20-14-7-8-17-22-18(19(12-5-6-12)23(17)11-14)16-10-21-9-13-3-1-2-4-15(13)16/h1-4,7-12H,5-6H2 | 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 | 3.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck USA
Curated by ChEMBL
| Assay Description
Inhibition of hepatic CYP3A4 (unknown origin) |
Bioorg Med Chem Lett 27: 143-146 (2017)
Article DOI: 10.1016/j.bmcl.2016.12.003
BindingDB Entry DOI: 10.7270/Q20K2BK0 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 11B1, mitochondrial
(Homo sapiens (Human)) | BDBM50206962
(CHEMBL3960669)Show InChI InChI=1S/C15H11F2N3/c16-11-3-4-20-13(6-11)19-14(15(20)9-1-2-9)10-5-12(17)8-18-7-10/h3-9H,1-2H2 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck USA
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: 143-146 (2017)
Article DOI: 10.1016/j.bmcl.2016.12.003
BindingDB Entry DOI: 10.7270/Q20K2BK0 |
More data for this
Ligand-Target Pair | |
Steroid 17-alpha-hydroxylase/17,20 lyase
(Homo sapiens (Human)) | BDBM50206975
(CHEMBL3919759)Show InChI InChI=1S/C17H15F2N3/c1-2-12-13(7-20-8-14(12)19)16-17(10-3-4-10)22-9-11(18)5-6-15(22)21-16/h5-10H,2-4H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck USA
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: 143-146 (2017)
Article DOI: 10.1016/j.bmcl.2016.12.003
BindingDB Entry DOI: 10.7270/Q20K2BK0 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50206955
(CHEMBL3923127)Show SMILES C[C@](O)(c1cncc(c1)-c1nc2ccc(F)cn2c1C1CC1)C(F)(F)F |r| Show InChI InChI=1S/C18H15F4N3O/c1-17(26,18(20,21)22)12-6-11(7-23-8-12)15-16(10-2-3-10)25-9-13(19)4-5-14(25)24-15/h4-10,26H,2-3H2,1H3/t17-/m0/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 | 6.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck USA
Curated by ChEMBL
| Assay Description
Inhibition of hepatic CYP2C9 (unknown origin) |
Bioorg Med Chem Lett 27: 143-146 (2017)
Article DOI: 10.1016/j.bmcl.2016.12.003
BindingDB Entry DOI: 10.7270/Q20K2BK0 |
More data for this
Ligand-Target Pair | |
Aromatase
(Homo sapiens (Human)) | BDBM50206955
(CHEMBL3923127)Show SMILES C[C@](O)(c1cncc(c1)-c1nc2ccc(F)cn2c1C1CC1)C(F)(F)F |r| Show InChI InChI=1S/C18H15F4N3O/c1-17(26,18(20,21)22)12-6-11(7-23-8-12)15-16(10-2-3-10)25-9-13(19)4-5-14(25)24-15/h4-10,26H,2-3H2,1H3/t17-/m0/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 | 7.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck USA
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: 143-146 (2017)
Article DOI: 10.1016/j.bmcl.2016.12.003
BindingDB Entry DOI: 10.7270/Q20K2BK0 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 11B1, mitochondrial
(Homo sapiens (Human)) | BDBM50206965
(CHEMBL3921629)Show InChI InChI=1S/C16H11FN4/c17-13-3-4-14-20-15(12-5-10(6-18)7-19-8-12)16(11-1-2-11)21(14)9-13/h3-5,7-9,11H,1-2H2 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >8.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck USA
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: 143-146 (2017)
Article DOI: 10.1016/j.bmcl.2016.12.003
BindingDB Entry DOI: 10.7270/Q20K2BK0 |
More data for this
Ligand-Target Pair | |
Steroid 21-hydroxylase
(Homo sapiens (Human)) | BDBM50206961
(CHEMBL3893614 | US9518055, Example 31)Show InChI InChI=1S/C15H11F2N3/c16-11-3-4-13-19-14(10-5-12(17)7-18-6-10)15(9-1-2-9)20(13)8-11/h3-9H,1-2H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
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 USA
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: 143-146 (2017)
Article DOI: 10.1016/j.bmcl.2016.12.003
BindingDB Entry DOI: 10.7270/Q20K2BK0 |
More data for this
Ligand-Target Pair | |
Steroid 21-hydroxylase
(Homo sapiens (Human)) | BDBM50206975
(CHEMBL3919759)Show InChI InChI=1S/C17H15F2N3/c1-2-12-13(7-20-8-14(12)19)16-17(10-3-4-10)22-9-11(18)5-6-15(22)21-16/h5-10H,2-4H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
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 USA
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: 143-146 (2017)
Article DOI: 10.1016/j.bmcl.2016.12.003
BindingDB Entry DOI: 10.7270/Q20K2BK0 |
More data for this
Ligand-Target Pair | |
Steroid 21-hydroxylase
(Homo sapiens (Human)) | BDBM50206955
(CHEMBL3923127)Show SMILES C[C@](O)(c1cncc(c1)-c1nc2ccc(F)cn2c1C1CC1)C(F)(F)F |r| Show InChI InChI=1S/C18H15F4N3O/c1-17(26,18(20,21)22)12-6-11(7-23-8-12)15-16(10-2-3-10)25-9-13(19)4-5-14(25)24-15/h4-10,26H,2-3H2,1H3/t17-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
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 USA
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: 143-146 (2017)
Article DOI: 10.1016/j.bmcl.2016.12.003
BindingDB Entry DOI: 10.7270/Q20K2BK0 |
More data for this
Ligand-Target Pair | |
Steroid 17-alpha-hydroxylase/17,20 lyase
(Homo sapiens (Human)) | BDBM50206955
(CHEMBL3923127)Show SMILES C[C@](O)(c1cncc(c1)-c1nc2ccc(F)cn2c1C1CC1)C(F)(F)F |r| Show InChI InChI=1S/C18H15F4N3O/c1-17(26,18(20,21)22)12-6-11(7-23-8-12)15-16(10-2-3-10)25-9-13(19)4-5-14(25)24-15/h4-10,26H,2-3H2,1H3/t17-/m0/s1 | PDB
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+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck USA
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: 143-146 (2017)
Article DOI: 10.1016/j.bmcl.2016.12.003
BindingDB Entry DOI: 10.7270/Q20K2BK0 |
More data for this
Ligand-Target Pair | |
Steroid 21-hydroxylase
(Homo sapiens (Human)) | BDBM50206959
(CHEMBL3924257)Show InChI InChI=1S/C16H13F2N3/c1-9-12(6-19-7-13(9)18)15-16(10-2-3-10)21-8-11(17)4-5-14(21)20-15/h4-8,10H,2-3H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
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 USA
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: 143-146 (2017)
Article DOI: 10.1016/j.bmcl.2016.12.003
BindingDB Entry DOI: 10.7270/Q20K2BK0 |
More data for this
Ligand-Target Pair | |
Steroid 21-hydroxylase
(Homo sapiens (Human)) | BDBM50206963
(CHEMBL3948337 | US9518055, Example 41)Show InChI InChI=1S/C19H14FN3/c20-14-7-8-17-22-18(19(12-5-6-12)23(17)11-14)16-10-21-9-13-3-1-2-4-15(13)16/h1-4,7-12H,5-6H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
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 USA
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: 143-146 (2017)
Article DOI: 10.1016/j.bmcl.2016.12.003
BindingDB Entry DOI: 10.7270/Q20K2BK0 |
More data for this
Ligand-Target Pair | |
Steroid 17-alpha-hydroxylase/17,20 lyase
(Homo sapiens (Human)) | BDBM50206959
(CHEMBL3924257)Show InChI InChI=1S/C16H13F2N3/c1-9-12(6-19-7-13(9)18)15-16(10-2-3-10)21-8-11(17)4-5-14(21)20-15/h4-8,10H,2-3H2,1H3 | PDB
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+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck USA
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: 143-146 (2017)
Article DOI: 10.1016/j.bmcl.2016.12.003
BindingDB Entry DOI: 10.7270/Q20K2BK0 |
More data for this
Ligand-Target Pair | |
Steroid 17-alpha-hydroxylase/17,20 lyase
(Homo sapiens (Human)) | BDBM50206979
(CHEMBL3951973)Show InChI InChI=1S/C15H10ClF2N3/c16-11-7-21-13(4-12(11)18)20-14(15(21)8-1-2-8)9-3-10(17)6-19-5-9/h3-8H,1-2H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
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 USA
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: 143-146 (2017)
Article DOI: 10.1016/j.bmcl.2016.12.003
BindingDB Entry DOI: 10.7270/Q20K2BK0 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50206959
(CHEMBL3924257)Show InChI InChI=1S/C16H13F2N3/c1-9-12(6-19-7-13(9)18)15-16(10-2-3-10)21-8-11(17)4-5-14(21)20-15/h4-8,10H,2-3H2,1H3 | 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 | 1.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck USA
Curated by ChEMBL
| Assay Description
Inhibition of hepatic CYP3A4 (unknown origin) |
Bioorg Med Chem Lett 27: 143-146 (2017)
Article DOI: 10.1016/j.bmcl.2016.12.003
BindingDB Entry DOI: 10.7270/Q20K2BK0 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50206955
(CHEMBL3923127)Show SMILES C[C@](O)(c1cncc(c1)-c1nc2ccc(F)cn2c1C1CC1)C(F)(F)F |r| Show InChI InChI=1S/C18H15F4N3O/c1-17(26,18(20,21)22)12-6-11(7-23-8-12)15-16(10-2-3-10)25-9-13(19)4-5-14(25)24-15/h4-10,26H,2-3H2,1H3/t17-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck USA
Curated by ChEMBL
| Assay Description
Inhibition of hepatic CYP2D6 (unknown origin) |
Bioorg Med Chem Lett 27: 143-146 (2017)
Article DOI: 10.1016/j.bmcl.2016.12.003
BindingDB Entry DOI: 10.7270/Q20K2BK0 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50206979
(CHEMBL3951973)Show InChI InChI=1S/C15H10ClF2N3/c16-11-7-21-13(4-12(11)18)20-14(15(21)8-1-2-8)9-3-10(17)6-19-5-9/h3-8H,1-2H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck USA
Curated by ChEMBL
| Assay Description
Inhibition of hepatic CYP2C9 (unknown origin) |
Bioorg Med Chem Lett 27: 143-146 (2017)
Article DOI: 10.1016/j.bmcl.2016.12.003
BindingDB Entry DOI: 10.7270/Q20K2BK0 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50206979
(CHEMBL3951973)Show InChI InChI=1S/C15H10ClF2N3/c16-11-7-21-13(4-12(11)18)20-14(15(21)8-1-2-8)9-3-10(17)6-19-5-9/h3-8H,1-2H2 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck USA
Curated by ChEMBL
| Assay Description
Inhibition of hepatic CYP2D6 (unknown origin) |
Bioorg Med Chem Lett 27: 143-146 (2017)
Article DOI: 10.1016/j.bmcl.2016.12.003
BindingDB Entry DOI: 10.7270/Q20K2BK0 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50206979
(CHEMBL3951973)Show InChI InChI=1S/C15H10ClF2N3/c16-11-7-21-13(4-12(11)18)20-14(15(21)8-1-2-8)9-3-10(17)6-19-5-9/h3-8H,1-2H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck USA
Curated by ChEMBL
| Assay Description
Inhibition of hepatic CYP3A4 (unknown origin) |
Bioorg Med Chem Lett 27: 143-146 (2017)
Article DOI: 10.1016/j.bmcl.2016.12.003
BindingDB Entry DOI: 10.7270/Q20K2BK0 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50206955
(CHEMBL3923127)Show SMILES C[C@](O)(c1cncc(c1)-c1nc2ccc(F)cn2c1C1CC1)C(F)(F)F |r| Show InChI InChI=1S/C18H15F4N3O/c1-17(26,18(20,21)22)12-6-11(7-23-8-12)15-16(10-2-3-10)25-9-13(19)4-5-14(25)24-15/h4-10,26H,2-3H2,1H3/t17-/m0/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 | >2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck USA
Curated by ChEMBL
| Assay Description
Inhibition of hepatic CYP3A4 (unknown origin) |
Bioorg Med Chem Lett 27: 143-146 (2017)
Article DOI: 10.1016/j.bmcl.2016.12.003
BindingDB Entry DOI: 10.7270/Q20K2BK0 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50206961
(CHEMBL3893614 | US9518055, Example 31)Show InChI InChI=1S/C15H11F2N3/c16-11-3-4-13-19-14(10-5-12(17)7-18-6-10)15(9-1-2-9)20(13)8-11/h3-9H,1-2H2 | 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 | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck USA
Curated by ChEMBL
| Assay Description
Inhibition of hepatic CYP3A4 (unknown origin) |
Bioorg Med Chem Lett 27: 143-146 (2017)
Article DOI: 10.1016/j.bmcl.2016.12.003
BindingDB Entry DOI: 10.7270/Q20K2BK0 |
More data for this
Ligand-Target Pair | |
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