Found 16 hits Enz. Inhib. hit(s) with all data for entry = 50023664 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)) | BDBM50251002
((2S)-2',4'-dihydroxy-2' '-(1-hydroxy-1-methylethyl...)Show SMILES CC(C)(O)C1Cc2c(O1)ccc1C(=O)C[C@H](Oc21)c1ccc(O)cc1O |r| Show InChI InChI=1S/C20H20O6/c1-20(2,24)18-8-13-16(25-18)6-5-12-15(23)9-17(26-19(12)13)11-4-3-10(21)7-14(11)22/h3-7,17-18,21-22,24H,8-9H2,1-2H3/t17-,18?/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description Inhibition of aromatase from human placental microsomes |
J Nat Prod 64: 1286-93 (2001)
BindingDB Entry DOI: 10.7270/Q2RB74C4 |
More data for this Ligand-Target Pair | |
Aromatase
(Homo sapiens (Human)) | BDBM50251003
(CHEMBL457679 | cid_5318585 | isolicoflavonol)Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1cc(ccc1-[#8])-c1oc2cc(-[#8])cc(-[#8])c2c(=O)c1-[#8] Show InChI InChI=1S/C20H18O6/c1-10(2)3-4-11-7-12(5-6-14(11)22)20-19(25)18(24)17-15(23)8-13(21)9-16(17)26-20/h3,5-9,21-23,25H,4H2,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description Inhibition of aromatase from human placental microsomes |
J Nat Prod 64: 1286-93 (2001)
BindingDB Entry DOI: 10.7270/Q2RB74C4 |
More data for this Ligand-Target Pair | |
Aromatase
(Homo sapiens (Human)) | BDBM50251004
((2S)-abyssinone II | CHEMBL457680)Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1cc(ccc1-[#8])-[#6]-1-[#6]-[#6](=O)-c2c(-[#8])cc(-[#8])cc2-[#8]-1 Show InChI InChI=1S/C20H20O5/c1-11(2)3-4-12-7-13(5-6-15(12)22)18-10-17(24)20-16(23)8-14(21)9-19(20)25-18/h3,5-9,18,21-23H,4,10H2,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 400 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description Inhibition of aromatase from human placental microsomes |
J Nat Prod 64: 1286-93 (2001)
BindingDB Entry DOI: 10.7270/Q2RB74C4 |
More data for this Ligand-Target Pair | |
Aromatase
(Homo sapiens (Human)) | BDBM50250979
(3'-[gamma-hydroxymethyl-(E)-gamma-methylallyl]-2,4...)Show SMILES C\C(COC(=O)\C=C\c1ccc(O)cc1)=C/Cc1c(O)ccc(C(=O)\C=C\c2ccc(O)cc2O)c1O Show InChI InChI=1S/C29H26O8/c1-18(17-37-28(35)15-5-19-3-8-21(30)9-4-19)2-11-23-26(33)14-12-24(29(23)36)25(32)13-7-20-6-10-22(31)16-27(20)34/h2-10,12-16,30-31,33-34,36H,11,17H2,1H3/b13-7+,15-5+,18-2+ | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description Inhibition of aromatase from human placental microsomes |
J Nat Prod 64: 1286-93 (2001)
BindingDB Entry DOI: 10.7270/Q2RB74C4 |
More data for this Ligand-Target Pair | |
Aromatase
(Homo sapiens (Human)) | BDBM50251005
((2S)-5,7,2',4'-tetrahydroxyflavanone | (S)-2-(2,4-...)Show SMILES Oc1ccc([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)c(O)c1 |r| Show InChI InChI=1S/C15H12O6/c16-7-1-2-9(10(18)3-7)13-6-12(20)15-11(19)4-8(17)5-14(15)21-13/h1-5,13,16-19H,6H2/t13-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 2.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description Inhibition of aromatase from human placental microsomes |
J Nat Prod 64: 1286-93 (2001)
BindingDB Entry DOI: 10.7270/Q2RB74C4 |
More data for this Ligand-Target Pair | |
Aromatase
(Homo sapiens (Human)) | BDBM50251006
((2S)-Euchrenone a7 | CHEMBL457686)Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])ccc2-[#6](=O)-[#6]-[#6@H](-[#8]-c12)-c1ccc(-[#8])cc1-[#8] |r| Show InChI InChI=1S/C20H20O5/c1-11(2)3-5-14-16(22)8-7-15-18(24)10-19(25-20(14)15)13-6-4-12(21)9-17(13)23/h3-4,6-9,19,21-23H,5,10H2,1-2H3/t19-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 3.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description Inhibition of aromatase from human placental microsomes |
J Nat Prod 64: 1286-93 (2001)
BindingDB Entry DOI: 10.7270/Q2RB74C4 |
More data for this Ligand-Target Pair | |
Aromatase
(Homo sapiens (Human)) | BDBM50251013
(2,4,2',4'-tetrahydroxy-3'-prenylchalcone | CHEMBL4...)Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])ccc(-[#6](=O)\[#6]=[#6]\c2ccc(-[#8])cc2-[#8])c1-[#8] Show InChI InChI=1S/C20H20O5/c1-12(2)3-7-15-18(23)10-8-16(20(15)25)17(22)9-5-13-4-6-14(21)11-19(13)24/h3-6,8-11,21,23-25H,7H2,1-2H3/b9-5+ | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE KEGG PC cid PC sid UniChem
Patents
Similars
| PubMed
| n/a | n/a | 4.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description Inhibition of aromatase from human placental microsomes |
J Nat Prod 64: 1286-93 (2001)
BindingDB Entry DOI: 10.7270/Q2RB74C4 |
More data for this Ligand-Target Pair | |
Aromatase
(Homo sapiens (Human)) | BDBM9460
(3-(4-aminophenyl)-3-ethyl-piperidine-2,6-dione | 3...)Show InChI InChI=1S/C13H16N2O2/c1-2-13(8-7-11(16)15-12(13)17)9-3-5-10(14)6-4-9/h3-6H,2,7-8,14H2,1H3,(H,15,16,17) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank PubMed
| n/a | n/a | 6.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description Inhibition of aromatase from human placental microsomes |
J Nat Prod 64: 1286-93 (2001)
BindingDB Entry DOI: 10.7270/Q2RB74C4 |
More data for this Ligand-Target Pair | |
Aromatase
(Homo sapiens (Human)) | BDBM50250978
(CHEMBL463638 | isogemichalcone C)Show SMILES COc1cc(\C=C\C(=O)OC\C(C)=C\Cc2c(O)ccc(C(=O)\C=C\c3ccc(O)cc3O)c2O)ccc1O Show InChI InChI=1S/C30H28O9/c1-18(17-39-29(36)14-5-19-4-11-26(34)28(15-19)38-2)3-9-22-25(33)13-10-23(30(22)37)24(32)12-7-20-6-8-21(31)16-27(20)35/h3-8,10-16,31,33-35,37H,9,17H2,1-2H3/b12-7+,14-5+,18-3+ | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 7.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description Inhibition of aromatase from human placental microsomes |
J Nat Prod 64: 1286-93 (2001)
BindingDB Entry DOI: 10.7270/Q2RB74C4 |
More data for this Ligand-Target Pair | |
Aromatase
(Homo sapiens (Human)) | BDBM50251015
(CHEMBL454705 | albanol A)Show SMILES CC1=C[C@H]2C3[C@H](C1)c1ccc(O)cc1O[C@]3(Oc1cc(cc(O)c21)-c1cc2ccc(O)cc2o1)c1ccc(O)cc1O |r,t:1| Show InChI InChI=1S/C34H26O8/c1-16-8-23-22-6-4-21(37)15-30(22)41-34(25-7-5-19(35)13-26(25)38)33(23)24(9-16)32-27(39)10-18(12-31(32)42-34)28-11-17-2-3-20(36)14-29(17)40-28/h2-7,9-15,23-24,33,35-39H,8H2,1H3/t23-,24-,33?,34+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 7.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description Inhibition of aromatase from human placental microsomes |
J Nat Prod 64: 1286-93 (2001)
BindingDB Entry DOI: 10.7270/Q2RB74C4 |
More data for this Ligand-Target Pair | |
Aromatase
(Homo sapiens (Human)) | BDBM50242016
(CHEMBL464007 | broussoflavonol F)Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1cc(ccc1-[#8])-c1oc2c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])cc(-[#8])c2c(=O)c1-[#8] Show InChI InChI=1S/C25H26O6/c1-13(2)5-7-15-11-16(8-10-18(15)26)24-23(30)22(29)21-20(28)12-19(27)17(25(21)31-24)9-6-14(3)4/h5-6,8,10-12,26-28,30H,7,9H2,1-4H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 9.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description Inhibition of aromatase from human placental microsomes |
J Nat Prod 64: 1286-93 (2001)
BindingDB Entry DOI: 10.7270/Q2RB74C4 |
More data for this Ligand-Target Pair | |
Aromatase
(Homo sapiens (Human)) | BDBM23419
((2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro...)Show SMILES Oc1ccc(cc1)[C@@H]1CC(=O)c2c(O)cc(O)cc2O1 |r| Show InChI InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2/t13-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PubMed
| n/a | n/a | 1.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description Inhibition of aromatase from human placental microsomes |
J Nat Prod 64: 1286-93 (2001)
BindingDB Entry DOI: 10.7270/Q2RB74C4 |
More data for this Ligand-Target Pair | |
Aromatase
(Homo sapiens (Human)) | BDBM50250977
(5,7,2',4'-tetrahydroxy-3-geranylflavone | CHEMBL45...)Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])c2c(cc(-[#8])cc2=O)oc1-c1ccc(-[#8])cc1-[#8] Show InChI InChI=1S/C25H26O6/c1-14(2)5-4-6-15(3)7-9-19-24(30)23-21(29)12-17(27)13-22(23)31-25(19)18-10-8-16(26)11-20(18)28/h5,7-8,10-13,26-28,30H,4,6,9H2,1-3H3/b15-7+ | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 2.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description Inhibition of aromatase from human placental microsomes |
J Nat Prod 64: 1286-93 (2001)
BindingDB Entry DOI: 10.7270/Q2RB74C4 |
More data for this Ligand-Target Pair | |
Aromatase
(Homo sapiens (Human)) | BDBM50251012
(CHEMBL465879 | broussonin A)Show InChI InChI=1S/C16H18O3/c1-19-15-10-7-13(16(18)11-15)4-2-3-12-5-8-14(17)9-6-12/h5-11,17-18H,2-4H2,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description Inhibition of aromatase from human placental microsomes |
J Nat Prod 64: 1286-93 (2001)
BindingDB Entry DOI: 10.7270/Q2RB74C4 |
More data for this Ligand-Target Pair | |
Aromatase
(Homo sapiens (Human)) | BDBM50251014
(CHEMBL465881 | moracin N)Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1cc2cc(oc2cc1-[#8])-c1cc(-[#8])cc(-[#8])c1 Show InChI InChI=1S/C19H18O4/c1-11(2)3-4-12-5-13-8-18(23-19(13)10-17(12)22)14-6-15(20)9-16(21)7-14/h3,5-10,20-22H,4H2,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MCE PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 3.11E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description Inhibition of aromatase from human placental microsomes |
J Nat Prod 64: 1286-93 (2001)
BindingDB Entry DOI: 10.7270/Q2RB74C4 |
More data for this Ligand-Target Pair | |
Aromatase
(Homo sapiens (Human)) | BDBM50250980
(CHEMBL458188 | demethylmoracin I)Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])cc(-[#8])cc1-c1cc2ccc(-[#8])cc2o1 Show InChI InChI=1S/C19H18O4/c1-11(2)3-6-15-16(8-14(21)9-17(15)22)19-7-12-4-5-13(20)10-18(12)23-19/h3-5,7-10,20-22H,6H2,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 3.11E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description Inhibition of aromatase from human placental microsomes |
J Nat Prod 64: 1286-93 (2001)
BindingDB Entry DOI: 10.7270/Q2RB74C4 |
More data for this Ligand-Target Pair | |