Found 539 hits with Last Name = 'yadav' and Initial = 'mr' 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 |
|---|
Alpha-1A adrenergic receptor
(Homo sapiens (Human)) | BDBM50029257
((3-((4-(2-isopropoxyphenyl)piperazin-1-yl)methyl)p...)Show SMILES CC(C)Oc1ccccc1N1CCN(Cc2cccc(c2)C(=O)N2CCCCC2)CC1 Show InChI InChI=1S/C26H35N3O2/c1-21(2)31-25-12-5-4-11-24(25)28-17-15-27(16-18-28)20-22-9-8-10-23(19-22)26(30)29-13-6-3-7-14-29/h4-5,8-12,19,21H,3,6-7,13-18,20H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.0200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sinhgad College of Pharmacy
Curated by ChEMBL
| Assay Description
Binding affinity to adrenergic alpha1A receptor (unknown origin) |
Bioorg Med Chem 16: 4759-800 (2008)
Article DOI: 10.1016/j.bmc.2008.02.091
BindingDB Entry DOI: 10.7270/Q2DV1JPX |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50131385
((2R,3R,4R,5S)-3,4,5-Trihydroxy-1-(4-phenoxy-benzen...)Show SMILES ONC(=O)[C@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1S(=O)(=O)c1ccc(Oc2ccccc2)cc1 |r| Show InChI InChI=1S/C18H20N2O8S/c21-14-10-20(15(18(24)19-25)17(23)16(14)22)29(26,27)13-8-6-12(7-9-13)28-11-4-2-1-3-5-11/h1-9,14-17,21-23,25H,10H2,(H,19,24)/t14-,15+,16+,17+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.0610 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The M. S. University of Baroda
Curated by ChEMBL
| Assay Description
Inhibition of MMP9 |
Bioorg Med Chem 17: 444-59 (2009)
Article DOI: 10.1016/j.bmc.2008.11.067
BindingDB Entry DOI: 10.7270/Q2WH2QWZ |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM12657
(1-[3-(Aminomethyl)phenyl]-N-[3-fluoro-2-(methylsul...)Show SMILES CS(=O)(=O)c1ccccc1-c1ccc(NC(=O)c2cc(nn2-c2cccc(CN)c2)C(F)(F)F)c(F)c1 Show InChI InChI=1S/C25H20F4N4O3S/c1-37(35,36)22-8-3-2-7-18(22)16-9-10-20(19(26)12-16)31-24(34)21-13-23(25(27,28)29)32-33(21)17-6-4-5-15(11-17)14-30/h2-13H,14,30H2,1H3,(H,31,34) | 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
| MMDB
PDB
| 0.150 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50614408
(CHEMBL5269594)Show SMILES CC(N(C)C)c1ccc(N2CCC(NS(=O)(=O)\C=C\c3ccc(Cl)s3)C2=O)c(F)c1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50096104
(2-(3-Aminomethyl-phenyl)-5-trifluoromethyl-2H-pyra...)Show SMILES NCc1cccc(c1)-n1nc(cc1C(=O)Nc1ccc(cc1F)-c1ccccc1S(N)(=O)=O)C(F)(F)F Show InChI InChI=1S/C24H19F4N5O3S/c25-18-11-15(17-6-1-2-7-21(17)37(30,35)36)8-9-19(18)31-23(34)20-12-22(24(26,27)28)32-33(20)16-5-3-4-14(10-16)13-29/h1-12H,13,29H2,(H,31,34)(H2,30,35,36) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| | 0.910 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Aromatase
(Homo sapiens (Human)) | BDBM50136071
(CHEMBL3753593)Show SMILES [H][C@]1(CO1)[C@]12CCC(=O)C=C1CC[C@@]1([H])[C@]3([H])CCC(=O)[C@@]3(C)CC[C@]21[H] |r,c:10| Show InChI InChI=1S/C20H26O3/c1-19-8-7-16-14(15(19)4-5-17(19)22)3-2-12-10-13(21)6-9-20(12,16)18-11-23-18/h10,14-16,18H,2-9,11H2,1H3/t14-,15-,16-,18-,19-,20+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The M. S. University of Baroda
Curated by ChEMBL
| Assay Description
Inhibition of aromatase (unknown origin) |
Eur J Med Chem 105: 1-38 (2015)
Article DOI: 10.1016/j.ejmech.2015.09.038
BindingDB Entry DOI: 10.7270/Q2W66NMZ |
More data for this
Ligand-Target Pair | |
Type-1 angiotensin II receptor
(Homo sapiens (Human)) | BDBM50004154
(2-Butyl-4-chloro-6-methyl-1-[2'-(1H-tetrazol-5-yl)...)Show SMILES CCCCC1=NC(Cl)=C(C(C)N1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)C(O)=O |c:7,t:4| Show InChI InChI=1S/C24H25ClN6O2/c1-3-4-9-20-26-22(25)21(24(32)33)15(2)31(20)14-16-10-12-17(13-11-16)18-7-5-6-8-19(18)23-27-29-30-28-23/h5-8,10-13,15H,3-4,9,14H2,1-2H3,(H,32,33)(H,27,28,29,30) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The M. S. University of Baroda
Curated by ChEMBL
| Assay Description
Binding affinity to angiotensin AT1 receptor |
Bioorg Med Chem 18: 8418-56 (2010)
Article DOI: 10.1016/j.bmc.2010.10.043
BindingDB Entry DOI: 10.7270/Q2H70G3T |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50614410
(CHEMBL5286872)Show SMILES C[C@H](N(C)C)c1ccc(N2CCC(NS(=O)(=O)\C=C\c3ccc(Cl)s3)C2=O)c(F)c1 |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Aromatase
(Homo sapiens (Human)) | BDBM50136063
(CHEMBL3752102)Show SMILES [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C[C@@H](CCCC)C2=CC(=O)CC[C@]12C |r,t:22| Show InChI InChI=1S/C23H34O2/c1-4-5-6-15-13-17-18-7-8-21(25)23(18,3)12-10-19(17)22(2)11-9-16(24)14-20(15)22/h14-15,17-19H,4-13H2,1-3H3/t15-,17+,18+,19+,22-,23+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The M. S. University of Baroda
Curated by ChEMBL
| Assay Description
Competitive inhibition of human aromatase extracted from placental microsomes after 10 mins in presence of [1beta-3H]androstenedione |
Eur J Med Chem 105: 1-38 (2015)
Article DOI: 10.1016/j.ejmech.2015.09.038
BindingDB Entry DOI: 10.7270/Q2W66NMZ |
More data for this
Ligand-Target Pair | |
Aromatase
(Homo sapiens (Human)) | BDBM50136057
(CHEMBL3752661)Show SMILES [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C[C@@H](CC)C2=CC(=O)CC[C@]12C |r,t:20| Show InChI InChI=1S/C21H30O2/c1-4-13-11-15-16-5-6-19(23)21(16,3)10-8-17(15)20(2)9-7-14(22)12-18(13)20/h12-13,15-17H,4-11H2,1-3H3/t13-,15+,16+,17+,20-,21+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The M. S. University of Baroda
Curated by ChEMBL
| Assay Description
Competitive inhibition of human aromatase extracted from placental microsomes after 10 mins in presence of [1beta-3H]androstenedione |
Eur J Med Chem 105: 1-38 (2015)
Article DOI: 10.1016/j.ejmech.2015.09.038
BindingDB Entry DOI: 10.7270/Q2W66NMZ |
More data for this
Ligand-Target Pair | |
Aromatase
(Homo sapiens (Human)) | BDBM50136000
(CHEMBL3754220)Show SMILES [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C[C@@H](C)C2=CC(=O)CC[C@]12C |r,t:19| Show InChI InChI=1S/C20H28O2/c1-12-10-14-15-4-5-18(22)20(15,3)9-7-16(14)19(2)8-6-13(21)11-17(12)19/h11-12,14-16H,4-10H2,1-3H3/t12-,14+,15+,16+,19-,20+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The M. S. University of Baroda
Curated by ChEMBL
| Assay Description
Competitive inhibition of human aromatase extracted from placental microsomes after 10 mins in presence of [1beta-3H]androstenedione |
Eur J Med Chem 105: 1-38 (2015)
Article DOI: 10.1016/j.ejmech.2015.09.038
BindingDB Entry DOI: 10.7270/Q2W66NMZ |
More data for this
Ligand-Target Pair | |
Aromatase
(Homo sapiens (Human)) | BDBM50135998
(CHEMBL3752668)Show SMILES [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C[C@H](CCCC)C2=CC(=O)CC[C@]12C |r,t:22| Show InChI InChI=1S/C23H34O2/c1-4-5-6-15-13-17-18-7-8-21(25)23(18,3)12-10-19(17)22(2)11-9-16(24)14-20(15)22/h14-15,17-19H,4-13H2,1-3H3/t15-,17-,18-,19-,22+,23-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The M. S. University of Baroda
Curated by ChEMBL
| Assay Description
Competitive inhibition of human aromatase extracted from placental microsomes after 10 mins in presence of [1beta-3H]androstenedione |
Eur J Med Chem 105: 1-38 (2015)
Article DOI: 10.1016/j.ejmech.2015.09.038
BindingDB Entry DOI: 10.7270/Q2W66NMZ |
More data for this
Ligand-Target Pair | |
Aromatase
(Homo sapiens (Human)) | BDBM50135997
(CHEMBL3754471)Show SMILES [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C[C@H](C)C2=CC(=O)CC[C@]12C |r,t:19| Show InChI InChI=1S/C20H28O2/c1-12-10-14-15-4-5-18(22)20(15,3)9-7-16(14)19(2)8-6-13(21)11-17(12)19/h11-12,14-16H,4-10H2,1-3H3/t12-,14-,15-,16-,19+,20-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The M. S. University of Baroda
Curated by ChEMBL
| Assay Description
Competitive inhibition of human aromatase extracted from placental microsomes after 10 mins in presence of [1beta-3H]androstenedione |
Eur J Med Chem 105: 1-38 (2015)
Article DOI: 10.1016/j.ejmech.2015.09.038
BindingDB Entry DOI: 10.7270/Q2W66NMZ |
More data for this
Ligand-Target Pair | |
Type-1 angiotensin II receptor
(Homo sapiens (Human)) | BDBM50030727
(4''-[3-Butyl-5-oxo-1-(2-trifluoromethyl-phenyl)-1,...)Show SMILES CCCCc1nn(-c2ccccc2C(F)(F)F)c(=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)c1ccccc1 Show InChI InChI=1S/C33H29F3N4O4S/c1-2-3-17-30-37-40(28-15-9-8-14-27(28)33(34,35)36)32(42)39(30)22-23-18-20-24(21-19-23)26-13-7-10-16-29(26)45(43,44)38-31(41)25-11-5-4-6-12-25/h4-16,18-21H,2-3,17,22H2,1H3,(H,38,41) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The M. S. University of Baroda
Curated by ChEMBL
| Assay Description
Binding affinity to angiotensin AT1 receptor |
Bioorg Med Chem 18: 8418-56 (2010)
Article DOI: 10.1016/j.bmc.2010.10.043
BindingDB Entry DOI: 10.7270/Q2H70G3T |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50270453
((R)-4-(3-(2-amino-4-(4-fluorophenyl)thiazol-5-yl)p...)Show SMILES Nc1nc(c(s1)[C@@H]1CCN(CCCC(=O)c2ccc(F)cc2)C1)-c1ccc(F)cc1 |r| Show InChI InChI=1S/C23H23F2N3OS/c24-18-7-3-15(4-8-18)20(29)2-1-12-28-13-11-17(14-28)22-21(27-23(26)30-22)16-5-9-19(25)10-6-16/h3-10,17H,1-2,11-14H2,(H2,26,27)/t17-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 1.92 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sinhgad College of Pharmacy
Curated by ChEMBL
| Assay Description
Binding affinity to 5HT2A (unknown origin) |
Bioorg Med Chem 16: 4759-800 (2008)
Article DOI: 10.1016/j.bmc.2008.02.091
BindingDB Entry DOI: 10.7270/Q2DV1JPX |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50614409
(CHEMBL5276446)Show SMILES C[C@@H](N(C)C)c1ccc(N2CCC(NS(=O)(=O)\C=C\c3ccc(Cl)s3)C2=O)c(F)c1 |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50614403
(CHEMBL5291366)Show SMILES CC(C)N1CCC(CC1)NS(=O)(=O)CCNC(=O)c1ccc(Cl)s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PDB
UniChem
| PDB
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50614404
(CHEMBL5266057)Show SMILES [H][C@@]12CCCN1[C@@H](c1cc(on1)-c1ccc(Cl)s1)[C@@]1([H])C(=O)N(CCC[N+]3(CCO)CCCC3)C(=O)[C@@]21[H] |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PDB
UniChem
| PDB
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50131385
((2R,3R,4R,5S)-3,4,5-Trihydroxy-1-(4-phenoxy-benzen...)Show SMILES ONC(=O)[C@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1S(=O)(=O)c1ccc(Oc2ccccc2)cc1 |r| Show InChI InChI=1S/C18H20N2O8S/c21-14-10-20(15(18(24)19-25)17(23)16(14)22)29(26,27)13-8-6-12(7-9-13)28-11-4-2-1-3-5-11/h1-9,14-17,21-23,25H,10H2,(H,19,24)/t14-,15+,16+,17+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 2.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The M. S. University of Baroda
Curated by ChEMBL
| Assay Description
Inhibition of TACE |
Bioorg Med Chem 17: 444-59 (2009)
Article DOI: 10.1016/j.bmc.2008.11.067
BindingDB Entry DOI: 10.7270/Q2WH2QWZ |
More data for this
Ligand-Target Pair | |
Aromatase
(Homo sapiens (Human)) | BDBM50135917
(CHEMBL3754546)Show SMILES [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C=C(CC)C2=CC(=O)C=C[C@]12C |r,c:24,t:16,20| Show InChI InChI=1S/C21H26O2/c1-4-13-11-15-16-5-6-19(23)21(16,3)10-8-17(15)20(2)9-7-14(22)12-18(13)20/h7,9,11-12,15-17H,4-6,8,10H2,1-3H3/t15-,16-,17-,20+,21-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The M. S. University of Baroda
Curated by ChEMBL
| Assay Description
Competitive inhibition of human aromatase extracted from placental microsomes after 5 mins by Dixon plot analysis in presence of [1beta-3H]AD |
Eur J Med Chem 105: 1-38 (2015)
Article DOI: 10.1016/j.ejmech.2015.09.038
BindingDB Entry DOI: 10.7270/Q2W66NMZ |
More data for this
Ligand-Target Pair | |
Aromatase
(Homo sapiens (Human)) | BDBM50135918
(CHEMBL3753803)Show SMILES [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C=C(CCC)C2=CC(=O)C=C[C@]12C |r,c:25,t:16,21| Show InChI InChI=1S/C22H28O2/c1-4-5-14-12-16-17-6-7-20(24)22(17,3)11-9-18(16)21(2)10-8-15(23)13-19(14)21/h8,10,12-13,16-18H,4-7,9,11H2,1-3H3/t16-,17-,18-,21+,22-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The M. S. University of Baroda
Curated by ChEMBL
| Assay Description
Competitive inhibition of human aromatase extracted from placental microsomes after 5 mins by Dixon plot analysis in presence of [1beta-3H]AD |
Eur J Med Chem 105: 1-38 (2015)
Article DOI: 10.1016/j.ejmech.2015.09.038
BindingDB Entry DOI: 10.7270/Q2W66NMZ |
More data for this
Ligand-Target Pair | |
Aromatase
(Homo sapiens (Human)) | BDBM50135916
(CHEMBL3752165)Show SMILES [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C=C(C)C2=CC(=O)C=C[C@]12C |r,c:23,t:16,19| Show InChI InChI=1S/C20H24O2/c1-12-10-14-15-4-5-18(22)20(15,3)9-7-16(14)19(2)8-6-13(21)11-17(12)19/h6,8,10-11,14-16H,4-5,7,9H2,1-3H3/t14-,15-,16-,19+,20-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The M. S. University of Baroda
Curated by ChEMBL
| Assay Description
Competitive inhibition of human aromatase extracted from placental microsomes after 5 mins by Dixon plot analysis in presence of [1beta-3H]AD |
Eur J Med Chem 105: 1-38 (2015)
Article DOI: 10.1016/j.ejmech.2015.09.038
BindingDB Entry DOI: 10.7270/Q2W66NMZ |
More data for this
Ligand-Target Pair | |
Aromatase
(Homo sapiens (Human)) | BDBM50135922
(CHEMBL3752619)Show SMILES [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C=C(CCCCC)C2=CC(=O)C=C[C@]12C |r,c:27,t:16,23| Show InChI InChI=1S/C24H32O2/c1-4-5-6-7-16-14-18-19-8-9-22(26)24(19,3)13-11-20(18)23(2)12-10-17(25)15-21(16)23/h10,12,14-15,18-20H,4-9,11,13H2,1-3H3/t18-,19-,20-,23+,24-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The M. S. University of Baroda
Curated by ChEMBL
| Assay Description
Competitive inhibition of human aromatase extracted from placental microsomes after 5 mins by Dixon plot analysis in presence of [1beta-3H]AD |
Eur J Med Chem 105: 1-38 (2015)
Article DOI: 10.1016/j.ejmech.2015.09.038
BindingDB Entry DOI: 10.7270/Q2W66NMZ |
More data for this
Ligand-Target Pair | |
Aromatase
(Homo sapiens (Human)) | BDBM50135969
(CHEMBL3752315)Show SMILES [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C=C(CCCCCC)C2=CC(=O)C=C[C@]12C |r,c:28,t:16,24| Show InChI InChI=1S/C25H34O2/c1-4-5-6-7-8-17-15-19-20-9-10-23(27)25(20,3)14-12-21(19)24(2)13-11-18(26)16-22(17)24/h11,13,15-16,19-21H,4-10,12,14H2,1-3H3/t19-,20-,21-,24+,25-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The M. S. University of Baroda
Curated by ChEMBL
| Assay Description
Competitive inhibition of human aromatase extracted from placental microsomes after 5 mins by Dixon plot analysis in presence of [1beta-3H]AD |
Eur J Med Chem 105: 1-38 (2015)
Article DOI: 10.1016/j.ejmech.2015.09.038
BindingDB Entry DOI: 10.7270/Q2W66NMZ |
More data for this
Ligand-Target Pair | |
Aromatase
(Homo sapiens (Human)) | BDBM50421878
(CHEMBL2311178)Show SMILES C[C@]12CC[C@H]3[C@@H](C=CC4=CC(=O)C=C[C@]34C)[C@@H]1CCC2=O |c:6,12,t:8| Show InChI InChI=1S/C19H22O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h3-4,7,9,11,14-16H,5-6,8,10H2,1-2H3/t14-,15-,16-,18-,19-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The M. S. University of Baroda
Curated by ChEMBL
| Assay Description
Competitive inhibition of human aromatase extracted from placental microsomes after 5 mins by Dixon plot analysis in presence of [1beta-3H]AD |
Eur J Med Chem 105: 1-38 (2015)
Article DOI: 10.1016/j.ejmech.2015.09.038
BindingDB Entry DOI: 10.7270/Q2W66NMZ |
More data for this
Ligand-Target Pair | |
Aromatase
(Homo sapiens (Human)) | BDBM50135921
(CHEMBL3752011)Show SMILES [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C=C(CCCC)C2=CC(=O)C=C[C@]12C |r,c:26,t:16,22| Show InChI InChI=1S/C23H30O2/c1-4-5-6-15-13-17-18-7-8-21(25)23(18,3)12-10-19(17)22(2)11-9-16(24)14-20(15)22/h9,11,13-14,17-19H,4-8,10,12H2,1-3H3/t17-,18-,19-,22+,23-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The M. S. University of Baroda
Curated by ChEMBL
| Assay Description
Competitive inhibition of human aromatase extracted from placental microsomes after 5 mins by Dixon plot analysis in presence of [1beta-3H]AD |
Eur J Med Chem 105: 1-38 (2015)
Article DOI: 10.1016/j.ejmech.2015.09.038
BindingDB Entry DOI: 10.7270/Q2W66NMZ |
More data for this
Ligand-Target Pair | |
Aromatase
(Homo sapiens (Human)) | BDBM50135970
(CHEMBL3752341)Show SMILES [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C=C(CCCCCCC)C2=CC(=O)C=C[C@]12C |r,c:29,t:16,25| Show InChI InChI=1S/C26H36O2/c1-4-5-6-7-8-9-18-16-20-21-10-11-24(28)26(21,3)15-13-22(20)25(2)14-12-19(27)17-23(18)25/h12,14,16-17,20-22H,4-11,13,15H2,1-3H3/t20-,21-,22-,25+,26-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The M. S. University of Baroda
Curated by ChEMBL
| Assay Description
Competitive inhibition of human aromatase extracted from placental microsomes after 5 mins by Dixon plot analysis in presence of [1beta-3H]AD |
Eur J Med Chem 105: 1-38 (2015)
Article DOI: 10.1016/j.ejmech.2015.09.038
BindingDB Entry DOI: 10.7270/Q2W66NMZ |
More data for this
Ligand-Target Pair | |
Aromatase
(Homo sapiens (Human)) | BDBM50135858
(CHEMBL3754366)Show SMILES [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C[C@@H](CCCCCCCC)C2=CC(=O)CC[C@]12C |r,t:26| Show InChI InChI=1S/C27H42O2/c1-4-5-6-7-8-9-10-19-17-21-22-11-12-25(29)27(22,3)16-14-23(21)26(2)15-13-20(28)18-24(19)26/h18-19,21-23H,4-17H2,1-3H3/t19-,21+,22+,23+,26-,27+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 2.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The M. S. University of Baroda
Curated by ChEMBL
| Assay Description
Competitive inhibition of human aromatase extracted from placental microsomes after 5 mins by Dixon plot analysis in presence of [1beta-3H]AD |
Eur J Med Chem 105: 1-38 (2015)
Article DOI: 10.1016/j.ejmech.2015.09.038
BindingDB Entry DOI: 10.7270/Q2W66NMZ |
More data for this
Ligand-Target Pair | |
Aromatase
(Homo sapiens (Human)) | BDBM50135857
(CHEMBL3754285)Show SMILES [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C[C@@H](CCCCCC)C2=CC(=O)CC[C@]12C |r,t:24| Show InChI InChI=1S/C25H38O2/c1-4-5-6-7-8-17-15-19-20-9-10-23(27)25(20,3)14-12-21(19)24(2)13-11-18(26)16-22(17)24/h16-17,19-21H,4-15H2,1-3H3/t17-,19+,20+,21+,24-,25+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| 2.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The M. S. University of Baroda
Curated by ChEMBL
| Assay Description
Competitive inhibition of human aromatase extracted from placental microsomes after 5 mins by Dixon plot analysis in presence of [1beta-3H]AD |
Eur J Med Chem 105: 1-38 (2015)
Article DOI: 10.1016/j.ejmech.2015.09.038
BindingDB Entry DOI: 10.7270/Q2W66NMZ |
More data for this
Ligand-Target Pair | |
Aromatase
(Homo sapiens (Human)) | BDBM50135799
(CHEMBL3752650)Show SMILES [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C[C@@H](CCCCC)C2=CC(=O)CC[C@]12C |r,t:23| Show InChI InChI=1S/C24H36O2/c1-4-5-6-7-16-14-18-19-8-9-22(26)24(19,3)13-11-20(18)23(2)12-10-17(25)15-21(16)23/h15-16,18-20H,4-14H2,1-3H3/t16-,18+,19+,20+,23-,24+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The M. S. University of Baroda
Curated by ChEMBL
| Assay Description
Competitive inhibition of human aromatase extracted from placental microsomes after 5 mins by Dixon plot analysis in presence of [1beta-3H]AD |
Eur J Med Chem 105: 1-38 (2015)
Article DOI: 10.1016/j.ejmech.2015.09.038
BindingDB Entry DOI: 10.7270/Q2W66NMZ |
More data for this
Ligand-Target Pair | |
Aromatase
(Homo sapiens (Human)) | BDBM50135862
(CHEMBL3751881)Show SMILES [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C[C@H](C)C2=CCCC[C@]12C |r,t:19| Show InChI InChI=1S/C20H30O/c1-13-12-14-16-7-8-18(21)20(16,3)11-9-17(14)19(2)10-5-4-6-15(13)19/h6,13-14,16-17H,4-5,7-12H2,1-3H3/t13-,14-,16-,17-,19-,20-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| 3.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The M. S. University of Baroda
Curated by ChEMBL
| Assay Description
Competitive inhibition of human aromatase extracted from placental microsomes after 5 mins by Dixon plot analysis in presence of [1beta-3H]AD |
Eur J Med Chem 105: 1-38 (2015)
Article DOI: 10.1016/j.ejmech.2015.09.038
BindingDB Entry DOI: 10.7270/Q2W66NMZ |
More data for this
Ligand-Target Pair | |
Aromatase
(Homo sapiens (Human)) | BDBM50332824
((4S,8R,9S,10S,13S,14S)-4-hydroxy-10-(hydroxymethyl...)Show SMILES C[C@]12CC[C@H]3[C@@H](CC=C4[C@@H](O)CCC[C@]34CO)[C@@H]1CCC2=O |r,t:7| Show InChI InChI=1S/C19H28O3/c1-18-10-8-14-12(13(18)6-7-17(18)22)4-5-15-16(21)3-2-9-19(14,15)11-20/h5,12-14,16,20-21H,2-4,6-11H2,1H3/t12-,13-,14-,16-,18-,19-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The M. S. University of Baroda
Curated by ChEMBL
| Assay Description
Competitive inhibition of human aromatase extracted from placental microsomes after 5 mins by Dixon plot analysis in presence of [1beta-3H]AD |
Eur J Med Chem 105: 1-38 (2015)
Article DOI: 10.1016/j.ejmech.2015.09.038
BindingDB Entry DOI: 10.7270/Q2W66NMZ |
More data for this
Ligand-Target Pair | |
Aromatase
(Homo sapiens (Human)) | BDBM50136076
(CHEMBL3752403)Show SMILES [H][C@@]1(CN1)[C@]12CCC(=O)C=C1CC[C@@]1([H])[C@]3([H])CC[C@H](O)[C@@]3(C)CC[C@]21[H] |r,c:10| Show InChI InChI=1S/C20H29NO2/c1-19-8-7-16-14(15(19)4-5-18(19)23)3-2-12-10-13(22)6-9-20(12,16)17-11-21-17/h10,14-18,21,23H,2-9,11H2,1H3/t14-,15-,16-,17+,18-,19-,20+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 3.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The M. S. University of Baroda
Curated by ChEMBL
| Assay Description
Inhibition of aromatase (unknown origin) |
Eur J Med Chem 105: 1-38 (2015)
Article DOI: 10.1016/j.ejmech.2015.09.038
BindingDB Entry DOI: 10.7270/Q2W66NMZ |
More data for this
Ligand-Target Pair | |
Aromatase
(Homo sapiens (Human)) | BDBM50136075
(CHEMBL3754519)Show SMILES [H][C@]1(CN1)[C@]12CCC(=O)C=C1CC[C@@]1([H])[C@]3([H])CC[C@H](O)[C@@]3(C)CC[C@]21[H] |r,c:10| Show InChI InChI=1S/C20H29NO2/c1-19-8-7-16-14(15(19)4-5-18(19)23)3-2-12-10-13(22)6-9-20(12,16)17-11-21-17/h10,14-18,21,23H,2-9,11H2,1H3/t14-,15-,16-,17-,18-,19-,20+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The M. S. University of Baroda
Curated by ChEMBL
| Assay Description
Inhibition of aromatase (unknown origin) |
Eur J Med Chem 105: 1-38 (2015)
Article DOI: 10.1016/j.ejmech.2015.09.038
BindingDB Entry DOI: 10.7270/Q2W66NMZ |
More data for this
Ligand-Target Pair | |
Aromatase
(Homo sapiens (Human)) | BDBM50136074
(CHEMBL3752897)Show SMILES [H][C@@]1(CN1)[C@]12CCC(=O)C=C1CC[C@@]1([H])[C@]3([H])CCC(=O)[C@@]3(C)CC[C@]21[H] |r,c:10| Show InChI InChI=1S/C20H27NO2/c1-19-8-7-16-14(15(19)4-5-18(19)23)3-2-12-10-13(22)6-9-20(12,16)17-11-21-17/h10,14-17,21H,2-9,11H2,1H3/t14-,15-,16-,17+,19-,20+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The M. S. University of Baroda
Curated by ChEMBL
| Assay Description
Inhibition of aromatase (unknown origin) |
Eur J Med Chem 105: 1-38 (2015)
Article DOI: 10.1016/j.ejmech.2015.09.038
BindingDB Entry DOI: 10.7270/Q2W66NMZ |
More data for this
Ligand-Target Pair | |
Aromatase
(Homo sapiens (Human)) | BDBM50136073
(CHEMBL3752276)Show SMILES [H][C@]1(CN1)[C@]12CCC(=O)C=C1CC[C@@]1([H])[C@]3([H])CCC(=O)[C@@]3(C)CC[C@]21[H] |r,c:10| Show InChI InChI=1S/C20H27NO2/c1-19-8-7-16-14(15(19)4-5-18(19)23)3-2-12-10-13(22)6-9-20(12,16)17-11-21-17/h10,14-17,21H,2-9,11H2,1H3/t14-,15-,16-,17-,19-,20+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The M. S. University of Baroda
Curated by ChEMBL
| Assay Description
Inhibition of aromatase (unknown origin) |
Eur J Med Chem 105: 1-38 (2015)
Article DOI: 10.1016/j.ejmech.2015.09.038
BindingDB Entry DOI: 10.7270/Q2W66NMZ |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM11548
(CHEMBL100570 | N-hydroxy-2-[(4-methoxy-1,1-bipheny...)Show SMILES COc1ccc(cc1)-c1ccc(CN2C(CCS2(=O)=O)C(=O)NO)cc1 Show InChI InChI=1S/C18H20N2O5S/c1-25-16-8-6-15(7-9-16)14-4-2-13(3-5-14)12-20-17(18(21)19-22)10-11-26(20,23)24/h2-9,17,22H,10-12H2,1H3,(H,19,21) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The M. S. University of Baroda
Curated by ChEMBL
| Assay Description
Inhibition of MMP2 |
Bioorg Med Chem 17: 444-59 (2009)
Article DOI: 10.1016/j.bmc.2008.11.067
BindingDB Entry DOI: 10.7270/Q2WH2QWZ |
More data for this
Ligand-Target Pair | |
Type-2 angiotensin II receptor
(Homo sapiens (Human)) | BDBM50044739
(3-Butyl-2-[2'-(1H-tetrazol-5-yl)-biphenyl-4-yloxy]...)Show SMILES CCCCc1nc2ccccc2[n+]([O-])c1Oc1ccc(cc1)-c1ccccc1-c1nnn[nH]1 Show InChI InChI=1S/C25H22N6O2/c1-2-3-10-22-25(31(32)23-12-7-6-11-21(23)26-22)33-18-15-13-17(14-16-18)19-8-4-5-9-20(19)24-27-29-30-28-24/h4-9,11-16H,2-3,10H2,1H3,(H,27,28,29,30) | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 4.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The M. S. University of Baroda
Curated by ChEMBL
| Assay Description
Binding affinity to angiotensin AT2 receptor |
Bioorg Med Chem 18: 8418-56 (2010)
Article DOI: 10.1016/j.bmc.2010.10.043
BindingDB Entry DOI: 10.7270/Q2H70G3T |
More data for this
Ligand-Target Pair | |
Aromatase
(Homo sapiens (Human)) | BDBM50136065
(CHEMBL3753629)Show SMILES [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C\C(=C/C)C2=CC(=O)CC[C@]12C |r,t:20| Show InChI InChI=1S/C21H28O2/c1-4-13-11-15-16-5-6-19(23)21(16,3)10-8-17(15)20(2)9-7-14(22)12-18(13)20/h4,12,15-17H,5-11H2,1-3H3/b13-4+/t15-,16-,17-,20+,21-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 4.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The M. S. University of Baroda
Curated by ChEMBL
| Assay Description
Competitive inhibition of human aromatase extracted from placental microsomes after 10 mins in presence of [1beta-3H]androstenedione |
Eur J Med Chem 105: 1-38 (2015)
Article DOI: 10.1016/j.ejmech.2015.09.038
BindingDB Entry DOI: 10.7270/Q2W66NMZ |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Sus scrofa (pig)) | BDBM50247674
(2-[7-(3,5-Dimethoxy-benzyloxy)-1,1-dioxo-1,3,4,5-t...)Show SMILES COc1cc(COc2ccc3c(NCCN(C(CCCCNS(C)(=O)=O)C(=O)NO)S3(=O)=O)c2)cc(OC)c1 Show InChI InChI=1S/C24H34N4O9S2/c1-35-19-12-17(13-20(14-19)36-2)16-37-18-7-8-23-21(15-18)25-10-11-28(39(23,33)34)22(24(29)27-30)6-4-5-9-26-38(3,31)32/h7-8,12-15,22,25-26,30H,4-6,9-11,16H2,1-3H3,(H,27,29) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The M. S. University of Baroda
Curated by ChEMBL
| Assay Description
Inhibition of pig TACE |
Bioorg Med Chem 17: 444-59 (2009)
Article DOI: 10.1016/j.bmc.2008.11.067
BindingDB Entry DOI: 10.7270/Q2WH2QWZ |
More data for this
Ligand-Target Pair | |
Aromatase
(Homo sapiens (Human)) | BDBM50136064
(CHEMBL3753920)Show SMILES [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C[C@@H](C=C)C2=CC(=O)CC[C@]12C |r,t:20| Show InChI InChI=1S/C21H28O2/c1-4-13-11-15-16-5-6-19(23)21(16,3)10-8-17(15)20(2)9-7-14(22)12-18(13)20/h4,12-13,15-17H,1,5-11H2,2-3H3/t13-,15+,16+,17+,20-,21+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The M. S. University of Baroda
Curated by ChEMBL
| Assay Description
Competitive inhibition of human aromatase extracted from placental microsomes after 10 mins in presence of [1beta-3H]androstenedione |
Eur J Med Chem 105: 1-38 (2015)
Article DOI: 10.1016/j.ejmech.2015.09.038
BindingDB Entry DOI: 10.7270/Q2W66NMZ |
More data for this
Ligand-Target Pair | |
Aromatase
(Homo sapiens (Human)) | BDBM50135863
(CHEMBL3754711)Show SMILES [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C[C@@H](C)C2=CCCC[C@]12C |r,t:19| Show InChI InChI=1S/C20H30O/c1-13-12-14-16-7-8-18(21)20(16,3)11-9-17(14)19(2)10-5-4-6-15(13)19/h6,13-14,16-17H,4-5,7-12H2,1-3H3/t13-,14+,16+,17+,19+,20+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| 5.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The M. S. University of Baroda
Curated by ChEMBL
| Assay Description
Competitive inhibition of human aromatase extracted from placental microsomes after 5 mins by Dixon plot analysis in presence of [1beta-3H]AD |
Eur J Med Chem 105: 1-38 (2015)
Article DOI: 10.1016/j.ejmech.2015.09.038
BindingDB Entry DOI: 10.7270/Q2W66NMZ |
More data for this
Ligand-Target Pair | |
Aromatase
(Homo sapiens (Human)) | BDBM50332810
((6R,8R,9S,10R,13S,14S)-6-hydroxy-10,13-dimethyl-2,...)Show SMILES C[C@]12CC[C@H]3[C@@H](C[C@@H](O)C4=CCCC[C@]34C)[C@@H]1CCC2=O |r,t:9| Show InChI InChI=1S/C19H28O2/c1-18-9-4-3-5-15(18)16(20)11-12-13-6-7-17(21)19(13,2)10-8-14(12)18/h5,12-14,16,20H,3-4,6-11H2,1-2H3/t12-,13-,14-,16+,18+,19-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The M. S. University of Baroda
Curated by ChEMBL
| Assay Description
Competitive inhibition of human aromatase extracted from placental microsomes after 5 mins by Dixon plot analysis in presence of [1beta-3H]AD |
Eur J Med Chem 105: 1-38 (2015)
Article DOI: 10.1016/j.ejmech.2015.09.038
BindingDB Entry DOI: 10.7270/Q2W66NMZ |
More data for this
Ligand-Target Pair | |
Aromatase
(Homo sapiens (Human)) | BDBM50332807
((8R,9S,10R,13S,14S)-10,13-dimethyl-2,3,7,8,9,10,11...)Show SMILES C[C@]12CC[C@H]3[C@@H](CCC4=CCCC[C@]34C)[C@@H]1CCC2=O |r,t:8| Show InChI InChI=1S/C19H28O/c1-18-11-4-3-5-13(18)6-7-14-15-8-9-17(20)19(15,2)12-10-16(14)18/h5,14-16H,3-4,6-12H2,1-2H3/t14-,15-,16-,18-,19-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The M. S. University of Baroda
Curated by ChEMBL
| Assay Description
Competitive inhibition of human aromatase extracted from placental microsomes after 5 mins by Dixon plot analysis in presence of [1beta-3H]AD |
Eur J Med Chem 105: 1-38 (2015)
Article DOI: 10.1016/j.ejmech.2015.09.038
BindingDB Entry DOI: 10.7270/Q2W66NMZ |
More data for this
Ligand-Target Pair | |
Aromatase
(Homo sapiens (Human)) | BDBM50135976
(CHEMBL3752998)Show SMILES [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C[C@H](OC(=O)CCCCC)C2=CC(=O)CC[C@]12C |r,t:26| Show InChI InChI=1S/C25H36O4/c1-4-5-6-7-23(28)29-21-15-17-18-8-9-22(27)25(18,3)13-11-19(17)24(2)12-10-16(26)14-20(21)24/h14,17-19,21H,4-13,15H2,1-3H3/t17-,18-,19-,21-,24+,25-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The M. S. University of Baroda
Curated by ChEMBL
| Assay Description
Competitive inhibition of human aromatase extracted from placental microsomes after 5 mins by Dixon plot analysis in presence of [1beta-3H]AD |
Eur J Med Chem 105: 1-38 (2015)
Article DOI: 10.1016/j.ejmech.2015.09.038
BindingDB Entry DOI: 10.7270/Q2W66NMZ |
More data for this
Ligand-Target Pair | |
Aromatase
(Homo sapiens (Human)) | BDBM50135977
(CHEMBL3752038)Show SMILES [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C[C@H](OCc2ccccc2)C2=CC(=O)CC[C@]12C |r,t:27| Show InChI InChI=1S/C26H32O3/c1-25-12-10-18(27)14-22(25)23(29-16-17-6-4-3-5-7-17)15-19-20-8-9-24(28)26(20,2)13-11-21(19)25/h3-7,14,19-21,23H,8-13,15-16H2,1-2H3/t19-,20-,21-,23-,25+,26-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The M. S. University of Baroda
Curated by ChEMBL
| Assay Description
Competitive inhibition of human aromatase extracted from placental microsomes after 5 mins by Dixon plot analysis in presence of [1beta-3H]AD |
Eur J Med Chem 105: 1-38 (2015)
Article DOI: 10.1016/j.ejmech.2015.09.038
BindingDB Entry DOI: 10.7270/Q2W66NMZ |
More data for this
Ligand-Target Pair | |
Aromatase
(Homo sapiens (Human)) | BDBM50135975
(CHEMBL3752155)Show SMILES [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C=C(CCc2ccccc2)C2=CC(=O)C=C[C@]12C |r,c:31,t:16,27| Show InChI InChI=1S/C27H30O2/c1-26-14-12-20(28)17-24(26)19(9-8-18-6-4-3-5-7-18)16-21-22-10-11-25(29)27(22,2)15-13-23(21)26/h3-7,12,14,16-17,21-23H,8-11,13,15H2,1-2H3/t21-,22-,23-,26+,27-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 8.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The M. S. University of Baroda
Curated by ChEMBL
| Assay Description
Competitive inhibition of human aromatase extracted from placental microsomes after 5 mins by Dixon plot analysis in presence of [1beta-3H]AD |
Eur J Med Chem 105: 1-38 (2015)
Article DOI: 10.1016/j.ejmech.2015.09.038
BindingDB Entry DOI: 10.7270/Q2W66NMZ |
More data for this
Ligand-Target Pair | |
Aromatase
(Homo sapiens (Human)) | BDBM50135761
(CHEMBL3753169)Show SMILES [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C(C)(C)C[C@]12C |r,t:18| Show InChI InChI=1S/C21H30O2/c1-19(2)12-21(4)13(11-18(19)23)5-6-14-15-7-8-17(22)20(15,3)10-9-16(14)21/h11,14-16H,5-10,12H2,1-4H3/t14-,15-,16-,20-,21-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 8.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The M. S. University of Baroda
Curated by ChEMBL
| Assay Description
Competitive inhibition of human aromatase extracted from placental microsomes by Dixon plot analysis in presence of [1beta-3H]AD |
Eur J Med Chem 105: 1-38 (2015)
Article DOI: 10.1016/j.ejmech.2015.09.038
BindingDB Entry DOI: 10.7270/Q2W66NMZ |
More data for this
Ligand-Target Pair | |
Aromatase
(Homo sapiens (Human)) | BDBM50135973
(CHEMBL3754168)Show SMILES [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C=C(Cc2ccccc2)C2=CC(=O)CC[C@]12C |r,t:16,26| Show InChI InChI=1S/C26H30O2/c1-25-12-10-19(27)16-23(25)18(14-17-6-4-3-5-7-17)15-20-21-8-9-24(28)26(21,2)13-11-22(20)25/h3-7,15-16,20-22H,8-14H2,1-2H3/t20-,21-,22-,25+,26-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The M. S. University of Baroda
Curated by ChEMBL
| Assay Description
Competitive inhibition of human aromatase extracted from placental microsomes after 5 mins by Dixon plot analysis in presence of [1beta-3H]AD |
Eur J Med Chem 105: 1-38 (2015)
Article DOI: 10.1016/j.ejmech.2015.09.038
BindingDB Entry DOI: 10.7270/Q2W66NMZ |
More data for this
Ligand-Target Pair | |
Aromatase
(Homo sapiens (Human)) | BDBM50135859
(CHEMBL3752625)Show SMILES [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C[C@H](CCCCC)C2=CC(=O)CC[C@]12C |r,t:23| Show InChI InChI=1S/C24H36O2/c1-4-5-6-7-16-14-18-19-8-9-22(26)24(19,3)13-11-20(18)23(2)12-10-17(25)15-21(16)23/h15-16,18-20H,4-14H2,1-3H3/t16-,18-,19-,20-,23+,24-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| 9.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The M. S. University of Baroda
Curated by ChEMBL
| Assay Description
Competitive inhibition of human aromatase extracted from placental microsomes after 5 mins by Dixon plot analysis in presence of [1beta-3H]AD |
Eur J Med Chem 105: 1-38 (2015)
Article DOI: 10.1016/j.ejmech.2015.09.038
BindingDB Entry DOI: 10.7270/Q2W66NMZ |
More data for this
Ligand-Target Pair | |
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