Found 3 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 |
|---|
Aromatase
(Homo sapiens (Human)) | BDBM31768
(CHEMBL295698 | Ketoconazole | Nizoral | Panfungol)Show SMILES CC(=O)N1CCN(CC1)c1ccc(OC[C@@H]2CO[C@](Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1 |r| Show InChI InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| Purchase
CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 800 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant aromatase |
J Nat Prod 71: 1793-1799 (2008)
Article DOI: 10.1021/np800392w
BindingDB Entry DOI: 10.7270/Q2X34XHF |
More data for this
Ligand-Target Pair | |
Aromatase
(Homo sapiens (Human)) | BDBM50298231
(CHEMBL576579 | Monodictyochromone B)Show SMILES C[C@H]1CC(=O)O[C@H]1[C@@]1(C)CC(=O)c2c(O)c(ccc2O1)-c1c(C)cc2O[C@@](C)(CC(=O)c2c1O)[C@@H]1OC(=O)C[C@H]1O |r,wU:1.0,6.7,34.38,wD:7.8,26.29,39.45,(12.51,.38,;13.97,.87,;14.44,2.34,;15.98,2.35,;16.88,3.6,;16.47,.88,;15.22,-.03,;15.23,-1.57,;13.91,-2.35,;16.56,-.79,;17.89,-1.57,;19.23,-.81,;17.89,-3.11,;19.21,-3.88,;20.55,-3.12,;19.2,-5.42,;17.86,-6.18,;16.55,-5.4,;16.56,-3.87,;15.23,-3.11,;20.53,-6.2,;20.51,-7.74,;19.16,-8.5,;21.83,-8.52,;23.17,-7.76,;24.49,-8.54,;25.82,-7.79,;25.81,-9.34,;25.84,-6.26,;24.52,-5.47,;24.54,-3.93,;23.19,-6.23,;21.86,-5.44,;21.88,-3.89,;27.15,-7.03,;28.56,-7.65,;29.59,-6.51,;31.12,-6.67,;28.82,-5.17,;27.31,-5.49,;26.17,-4.46,)| Show InChI InChI=1S/C30H30O11/c1-12-7-19-24(17(33)11-30(4,41-19)28-15(31)9-21(35)39-28)26(37)22(12)14-5-6-18-23(25(14)36)16(32)10-29(3,40-18)27-13(2)8-20(34)38-27/h5-7,13,15,27-28,31,36-37H,8-11H2,1-4H3/t13-,15+,27+,28+,29+,30-/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 | 1.65E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant aromatase |
J Nat Prod 71: 1793-1799 (2008)
Article DOI: 10.1021/np800392w
BindingDB Entry DOI: 10.7270/Q2X34XHF |
More data for this
Ligand-Target Pair | |
Aromatase
(Homo sapiens (Human)) | BDBM50298230
(CHEMBL586557 | Monodictyochromone A)Show SMILES C[C@H]1CC(=O)O[C@H]1[C@@]1(C)CC(=O)c2c(O)c(ccc2O1)-c1c(C)cc(O)c2C(=O)C[C@](C)(Oc12)[C@@H]1OC(=O)C[C@H]1O |r,wU:6.7,1.0,34.38,wD:39.45,30.33,7.8,(-4.23,-9.24,;-5.36,-8.2,;-6.87,-8.51,;-7.63,-7.18,;-9.16,-7.01,;-6.6,-6.04,;-5.18,-6.67,;-3.84,-5.9,;-2.51,-6.67,;-5.17,-5.14,;-5.18,-3.61,;-6.51,-2.84,;-3.86,-2.84,;-3.86,-1.29,;-5.19,-.52,;-2.52,-.52,;-1.19,-1.28,;-1.18,-2.82,;-2.52,-3.6,;-2.51,-5.13,;-2.52,1.02,;-3.85,1.78,;-5.18,1.01,;-3.85,3.32,;-2.52,4.1,;-2.52,5.64,;-1.19,3.32,;.14,4.09,;.14,5.63,;1.47,3.31,;1.46,1.77,;1.45,.23,;.12,1.01,;-1.2,1.78,;2.79,2.54,;4.19,1.91,;5.22,3.05,;6.75,2.89,;4.45,4.38,;2.95,4.06,;1.81,5.09,)| Show InChI InChI=1S/C30H30O11/c1-12-7-15(31)23-17(33)10-30(4,28-16(32)9-21(36)39-28)41-26(23)22(12)14-5-6-19-24(25(14)37)18(34)11-29(3,40-19)27-13(2)8-20(35)38-27/h5-7,13,16,27-28,31-32,37H,8-11H2,1-4H3/t13-,16+,27+,28+,29+,30-/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 | 2.44E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant aromatase |
J Nat Prod 71: 1793-1799 (2008)
Article DOI: 10.1021/np800392w
BindingDB Entry DOI: 10.7270/Q2X34XHF |
More data for this
Ligand-Target Pair | |
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