Found 53 hits with Last Name = 'shibasaki' and Initial = 'm' 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 |
|---|
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50370067
(CHEMBL1237164)Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2ccccc2c1C[C@@]35O |r,TLB:28:29:7.12.13:4.5.18,30:29:7.12.13:4.5.18| Show InChI InChI=1S/C26H26N2O3/c29-19-8-7-15-11-20-26(30)12-17-16-3-1-2-4-18(16)27-22(17)24-25(26,21(15)23(19)31-24)9-10-28(20)13-14-5-6-14/h1-4,7-8,14,20,24,27,29-30H,5-6,9-13H2/t20-,24+,25+,26-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| Purchase
CHEMBL
MCE
KEGG
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| 0.460 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kitasato University
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPDPE from human delta opioid receptor expressed in CHO cells |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2020.127176
BindingDB Entry DOI: 10.7270/Q2W380XV |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50545482
(CHEMBL4649733)Show SMILES [H][C@]12Cc3ccc(O)cc3[C@@]3(CCN1C(=O)CCc1ccccc1)Cc1nc4ccccc4cc1C[C@@]23O |r,THB:14:13:9.3.2:36| Show InChI InChI=1S/C32H30N2O3/c35-25-12-11-22-17-29-32(37)19-24-16-23-8-4-5-9-27(23)33-28(24)20-31(32,26(22)18-25)14-15-34(29)30(36)13-10-21-6-2-1-3-7-21/h1-9,11-12,16,18,29,35,37H,10,13-15,17,19-20H2/t29-,31-,32-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 4.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kitasato University
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPDPE from human delta opioid receptor expressed in CHO cells |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2020.127176
BindingDB Entry DOI: 10.7270/Q2W380XV |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50370067
(CHEMBL1237164)Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2ccccc2c1C[C@@]35O |r,TLB:28:29:7.12.13:4.5.18,30:29:7.12.13:4.5.18| Show InChI InChI=1S/C26H26N2O3/c29-19-8-7-15-11-20-26(30)12-17-16-3-1-2-4-18(16)27-22(17)24-25(26,21(15)23(19)31-24)9-10-28(20)13-14-5-6-14/h1-4,7-8,14,20,24,27,29-30H,5-6,9-13H2/t20-,24+,25+,26-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
KEGG
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kitasato University
Curated by ChEMBL
| Assay Description
Displacement of [3H]U69593 from human kappa opioid receptor expressed in CHO cells |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2020.127176
BindingDB Entry DOI: 10.7270/Q2W380XV |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50545481
(CHEMBL4632584)Show SMILES [H][C@]12Cc3ccc(O)cc3[C@@]3(CCN1C(=O)Cc1ccccc1)Cc1nc4ccccc4cc1C[C@@]23O |r,THB:14:13:9.3.2:35| Show InChI InChI=1S/C31H28N2O3/c34-24-11-10-21-16-28-31(36)18-23-15-22-8-4-5-9-26(22)32-27(23)19-30(31,25(21)17-24)12-13-33(28)29(35)14-20-6-2-1-3-7-20/h1-11,15,17,28,34,36H,12-14,16,18-19H2/t28-,30-,31-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 26 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kitasato University
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPDPE from human delta opioid receptor expressed in CHO cells |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2020.127176
BindingDB Entry DOI: 10.7270/Q2W380XV |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50370067
(CHEMBL1237164)Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2ccccc2c1C[C@@]35O |r,TLB:28:29:7.12.13:4.5.18,30:29:7.12.13:4.5.18| Show InChI InChI=1S/C26H26N2O3/c29-19-8-7-15-11-20-26(30)12-17-16-3-1-2-4-18(16)27-22(17)24-25(26,21(15)23(19)31-24)9-10-28(20)13-14-5-6-14/h1-4,7-8,14,20,24,27,29-30H,5-6,9-13H2/t20-,24+,25+,26-/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
KEGG
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| 31 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kitasato University
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cells |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2020.127176
BindingDB Entry DOI: 10.7270/Q2W380XV |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50545479
(CHEMBL4638693)Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC[C@@]14[C@@]5(O)Cc1c2[nH]c2ccccc12)C(=O)Cc1ccccc1)ccc3O |r,THB:25:9:4.5.6:13| Show InChI InChI=1S/C30H26N2O4/c33-22-11-10-18-15-23-30(35)16-20-19-8-4-5-9-21(19)31-26(20)28-29(30,25(18)27(22)36-28)12-13-32(23)24(34)14-17-6-2-1-3-7-17/h1-11,23,28,31,33,35H,12-16H2/t23-,28+,29+,30-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 42 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kitasato University
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPDPE from human delta opioid receptor expressed in CHO cells |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2020.127176
BindingDB Entry DOI: 10.7270/Q2W380XV |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50545480
(CHEMBL4636799)Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC[C@@]14[C@@]5(O)Cc1c2[nH]c2ccccc12)C(=O)CCc1ccccc1)ccc3O |r,THB:25:9:4.5.6:13| Show InChI InChI=1S/C31H28N2O4/c34-23-12-11-19-16-24-31(36)17-21-20-8-4-5-9-22(20)32-27(21)29-30(31,26(19)28(23)37-29)14-15-33(24)25(35)13-10-18-6-2-1-3-7-18/h1-9,11-12,24,29,32,34,36H,10,13-17H2/t24-,29+,30+,31-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 89 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kitasato University
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPDPE from human delta opioid receptor expressed in CHO cells |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2020.127176
BindingDB Entry DOI: 10.7270/Q2W380XV |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50545482
(CHEMBL4649733)Show SMILES [H][C@]12Cc3ccc(O)cc3[C@@]3(CCN1C(=O)CCc1ccccc1)Cc1nc4ccccc4cc1C[C@@]23O |r,THB:14:13:9.3.2:36| Show InChI InChI=1S/C32H30N2O3/c35-25-12-11-22-17-29-32(37)19-24-16-23-8-4-5-9-27(23)33-28(24)20-31(32,26(22)18-25)14-15-34(29)30(36)13-10-21-6-2-1-3-7-21/h1-9,11-12,16,18,29,35,37H,10,13-15,17,19-20H2/t29-,31-,32-/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.79E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kitasato University
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cells |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2020.127176
BindingDB Entry DOI: 10.7270/Q2W380XV |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50545480
(CHEMBL4636799)Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC[C@@]14[C@@]5(O)Cc1c2[nH]c2ccccc12)C(=O)CCc1ccccc1)ccc3O |r,THB:25:9:4.5.6:13| Show InChI InChI=1S/C31H28N2O4/c34-23-12-11-19-16-24-31(36)17-21-20-8-4-5-9-22(20)32-27(21)29-30(31,26(19)28(23)37-29)14-15-33(24)25(35)13-10-18-6-2-1-3-7-18/h1-9,11-12,24,29,32,34,36H,10,13-17H2/t24-,29+,30+,31-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2.15E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kitasato University
Curated by ChEMBL
| Assay Description
Displacement of [3H]U69593 from human kappa opioid receptor expressed in CHO cells |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2020.127176
BindingDB Entry DOI: 10.7270/Q2W380XV |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50545480
(CHEMBL4636799)Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC[C@@]14[C@@]5(O)Cc1c2[nH]c2ccccc12)C(=O)CCc1ccccc1)ccc3O |r,THB:25:9:4.5.6:13| Show InChI InChI=1S/C31H28N2O4/c34-23-12-11-19-16-24-31(36)17-21-20-8-4-5-9-22(20)32-27(21)29-30(31,26(19)28(23)37-29)14-15-33(24)25(35)13-10-18-6-2-1-3-7-18/h1-9,11-12,24,29,32,34,36H,10,13-17H2/t24-,29+,30+,31-/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 3.48E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kitasato University
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cells |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2020.127176
BindingDB Entry DOI: 10.7270/Q2W380XV |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50545479
(CHEMBL4638693)Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC[C@@]14[C@@]5(O)Cc1c2[nH]c2ccccc12)C(=O)Cc1ccccc1)ccc3O |r,THB:25:9:4.5.6:13| Show InChI InChI=1S/C30H26N2O4/c33-22-11-10-18-15-23-30(35)16-20-19-8-4-5-9-21(19)31-26(20)28-29(30,25(18)27(22)36-28)12-13-32(23)24(34)14-17-6-2-1-3-7-17/h1-11,23,28,31,33,35H,12-16H2/t23-,28+,29+,30-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 5.99E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kitasato University
Curated by ChEMBL
| Assay Description
Displacement of [3H]U69593 from human kappa opioid receptor expressed in CHO cells |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2020.127176
BindingDB Entry DOI: 10.7270/Q2W380XV |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50545479
(CHEMBL4638693)Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC[C@@]14[C@@]5(O)Cc1c2[nH]c2ccccc12)C(=O)Cc1ccccc1)ccc3O |r,THB:25:9:4.5.6:13| Show InChI InChI=1S/C30H26N2O4/c33-22-11-10-18-15-23-30(35)16-20-19-8-4-5-9-21(19)31-26(20)28-29(30,25(18)27(22)36-28)12-13-32(23)24(34)14-17-6-2-1-3-7-17/h1-11,23,28,31,33,35H,12-16H2/t23-,28+,29+,30-/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 8.67E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kitasato University
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cells |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2020.127176
BindingDB Entry DOI: 10.7270/Q2W380XV |
More data for this
Ligand-Target Pair | |
Beta-1 adrenergic receptor
(GUINEA PIG) | BDBM25756
((2R,3R)-2,3-dihydroxysuccinic acid;1-(isopropylami...)Show InChI InChI=1S/C15H25NO3/c1-12(2)16-10-14(17)11-19-15-6-4-13(5-7-15)8-9-18-3/h4-7,12,14,16-17H,8-11H2,1-3H3 | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| Article
| n/a | n/a | 190 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Tested for beta1-adrenergic blocking effect by measuring the ability to inhibit the positive inotropic effect of isoproterenol on the isolated right ... |
Bioorg Med Chem Lett 7: 1273-1274 (1997)
Article DOI: 10.1016/S0960-894X(97)00207-2
BindingDB Entry DOI: 10.7270/Q2SX6D7F |
More data for this
Ligand-Target Pair | |
Beta-1 adrenergic receptor
(GUINEA PIG) | BDBM25756
((2R,3R)-2,3-dihydroxysuccinic acid;1-(isopropylami...)Show InChI InChI=1S/C15H25NO3/c1-12(2)16-10-14(17)11-19-15-6-4-13(5-7-15)8-9-18-3/h4-7,12,14,16-17H,8-11H2,1-3H3 | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| Article
| n/a | n/a | 320 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Tested for beta-2-adrenergic blocking effect by measuring the ability to inhibit the relaxing effect of epinephrine on the isolated tracheal muscle o... |
Bioorg Med Chem Lett 7: 1273-1274 (1997)
Article DOI: 10.1016/S0960-894X(97)00207-2
BindingDB Entry DOI: 10.7270/Q2SX6D7F |
More data for this
Ligand-Target Pair | |
Beta-1/Beta-2/Beta-3 adrenergic receptor
(Rattus norvegicus (Rat)) | BDBM25756
((2R,3R)-2,3-dihydroxysuccinic acid;1-(isopropylami...)Show InChI InChI=1S/C15H25NO3/c1-12(2)16-10-14(17)11-19-15-6-4-13(5-7-15)8-9-18-3/h4-7,12,14,16-17H,8-11H2,1-3H3 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| Article
| n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Tested for beta-2-adrenergic blocking effect by measuring the ability to inhibit the relaxing effect of epinephrine on the isolated tracheal muscle o... |
Bioorg Med Chem Lett 7: 1273-1274 (1997)
Article DOI: 10.1016/S0960-894X(97)00207-2
BindingDB Entry DOI: 10.7270/Q2SX6D7F |
More data for this
Ligand-Target Pair | |
Beta-1 adrenergic receptor
(GUINEA PIG) | BDBM50289372
((S)-1,1-Difluoro-3-isopropylamino-1-[4-(2-methoxy-...)Show InChI InChI=1S/C15H23F2NO3/c1-11(2)18-10-14(19)15(16,17)21-13-6-4-12(5-7-13)8-9-20-3/h4-7,11,14,18-19H,8-10H2,1-3H3/t14-/m0/s1 | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 1.35E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Tested for beta-1-adrenergic blocking effect by measuring the ability to inhibit the positive inotropic effect of isoproterenol on the isolated right... |
Bioorg Med Chem Lett 7: 1273-1274 (1997)
Article DOI: 10.1016/S0960-894X(97)00207-2
BindingDB Entry DOI: 10.7270/Q2SX6D7F |
More data for this
Ligand-Target Pair | |
Beta-1/Beta-2/Beta-3 adrenergic receptor
(Rattus norvegicus (Rat)) | BDBM50289372
((S)-1,1-Difluoro-3-isopropylamino-1-[4-(2-methoxy-...)Show InChI InChI=1S/C15H23F2NO3/c1-11(2)18-10-14(19)15(16,17)21-13-6-4-12(5-7-13)8-9-20-3/h4-7,11,14,18-19H,8-10H2,1-3H3/t14-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 1.54E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Tested for beta1-adrenergic blocking effect by measuring the ability to inhibit the positive inotropic effect of isoproterenol on the isolated right ... |
Bioorg Med Chem Lett 7: 1273-1274 (1997)
Article DOI: 10.1016/S0960-894X(97)00207-2
BindingDB Entry DOI: 10.7270/Q2SX6D7F |
More data for this
Ligand-Target Pair | |
Beta-1 adrenergic receptor
(GUINEA PIG) | BDBM50289372
((S)-1,1-Difluoro-3-isopropylamino-1-[4-(2-methoxy-...)Show InChI InChI=1S/C15H23F2NO3/c1-11(2)18-10-14(19)15(16,17)21-13-6-4-12(5-7-13)8-9-20-3/h4-7,11,14,18-19H,8-10H2,1-3H3/t14-/m0/s1 | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 2.15E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Tested for beta-2-adrenergic blocking effect by measuring the ability to inhibit the relaxing effect of epinephrine on the isolated tracheal muscle o... |
Bioorg Med Chem Lett 7: 1273-1274 (1997)
Article DOI: 10.1016/S0960-894X(97)00207-2
BindingDB Entry DOI: 10.7270/Q2SX6D7F |
More data for this
Ligand-Target Pair | |
Cellular tumor antigen p53
(Homo sapiens (Human)) | BDBM50080457
(CHEMBL3422268)Show SMILES [H][C@@]1(O[C@@H](CCCCC)c2c(O)cc3C(=O)c4cc(O)cc(O)c4C(=O)c3c2O)O[C@@]([H])([C@H](O)CO)[C@H](O)[C@H]1OC(C)=O |r| Show InChI InChI=1S/C28H32O13/c1-3-4-5-6-18(40-28-27(39-11(2)30)25(38)26(41-28)17(34)10-29)21-16(33)9-14-20(24(21)37)23(36)19-13(22(14)35)7-12(31)8-15(19)32/h7-9,17-18,25-29,31-34,37-38H,3-6,10H2,1-2H3/t17-,18+,25+,26+,27-,28-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Microbial Chemistry (BIKAKEN)
Curated by ChEMBL
| Assay Description
Induction of p53-dependent growth suppression of human LNZTA3 cells after 72 hrs by MTT assay |
J Nat Prod 78: 188-95 (2015)
Article DOI: 10.1021/np500581m
BindingDB Entry DOI: 10.7270/Q25B046Z |
More data for this
Ligand-Target Pair | |
Cellular tumor antigen p53
(Homo sapiens (Human)) | BDBM50080451
(CHEMBL3422267)Show SMILES [H][C@@]1(O[C@@H](CCCCC)c2c(O)cc3C(=O)c4cc(O)cc(O)c4C(=O)c3c2O)O[C@@]([H])([C@H](O)CO)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C26H30O12/c1-2-3-4-5-16(37-26-24(36)23(35)25(38-26)15(31)9-27)19-14(30)8-12-18(22(19)34)21(33)17-11(20(12)32)6-10(28)7-13(17)29/h6-8,15-16,23-31,34-36H,2-5,9H2,1H3/t15-,16+,23-,24-,25+,26-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Microbial Chemistry (BIKAKEN)
Curated by ChEMBL
| Assay Description
Induction of p53-dependent growth suppression of human LNZTA3 cells after 72 hrs by MTT assay |
J Nat Prod 78: 188-95 (2015)
Article DOI: 10.1021/np500581m
BindingDB Entry DOI: 10.7270/Q25B046Z |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50068005
(CHEMBL3400821)Show SMILES CO[C@@]1(CC23CCC(CC2)(CO3)NCc2ccc3OCC(=O)Nc3n2)Cn2c3c1c(F)cnc3ccc2=O |r,wD:2.1,(-1.72,5.11,;-2.94,4.91,;-3.47,3.47,;-2.52,2.26,;-.98,2.47,;-.6,1.02,;.93,.83,;1.87,2.08,;.44,1.53,;.22,3.06,;1.25,3.49,;-.27,3.69,;3.37,1.84,;3.93,.39,;5.46,.15,;6.43,1.35,;7.97,1.1,;8.53,-.34,;10.05,-.58,;10.61,-2.03,;9.64,-3.23,;10.08,-4.38,;8.11,-2.99,;7.56,-1.54,;6.03,-1.3,;-4.92,4.74,;-6.22,3.88,;-5.74,2.44,;-4.27,2.13,;-3.78,.69,;-2.57,.44,;-4.79,-.43,;-6.28,-.12,;-6.74,1.31,;-8.23,1.63,;-8.71,3.07,;-7.71,4.19,;-8.09,5.37,)| Show InChI InChI=1S/C27H28FN5O5/c1-36-27(14-33-21(35)5-3-18-23(33)22(27)17(28)11-29-18)13-26-8-6-25(7-9-26,15-38-26)30-10-16-2-4-19-24(31-16)32-20(34)12-37-19/h2-5,11,30H,6-10,12-15H2,1H3,(H,31,32,34)/t25?,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
| n/a | n/a | 7.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by MK499 binding assay |
Bioorg Med Chem Lett 25: 1831-5 (2015)
Article DOI: 10.1016/j.bmcl.2015.03.044
BindingDB Entry DOI: 10.7270/Q2T43VS7 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50068003
(CHEMBL3400819)Show SMILES Fc1cnc2ccc(=O)n3CC(CC45CCC(CC4)(CO5)NCc4ccc5OCC(=O)Nc5n4)c1c23 |(-3.68,.87,;-2.61,.24,;-2.61,-1.26,;-1.3,-2.01,;,-1.26,;1.32,-2.01,;2.63,-1.26,;2.63,.24,;3.7,.87,;1.32,1,;.92,2.5,;-1,2.52,;-2.01,3.68,;-1.51,5.15,;-.04,4.83,;.81,6.12,;.12,7.51,;-.03,5.99,;-1.49,6.48,;-1.41,7.59,;-2.27,6.32,;1.01,8.75,;2.55,8.6,;3.45,9.85,;2.81,11.26,;3.73,12.52,;5.26,12.37,;6.16,13.62,;7.69,13.47,;8.33,12.07,;9.56,11.95,;7.43,10.81,;5.9,10.96,;5,9.71,;-1.3,1,;,.24,)| Show InChI InChI=1S/C26H26FN5O4/c27-17-11-28-18-2-4-21(34)32-12-15(22(17)23(18)32)9-26-7-5-25(6-8-26,14-36-26)29-10-16-1-3-19-24(30-16)31-20(33)13-35-19/h1-4,11,15,29H,5-10,12-14H2,(H,30,31,33) | 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 | 1.23E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by MK499 binding assay |
Bioorg Med Chem Lett 25: 1831-5 (2015)
Article DOI: 10.1016/j.bmcl.2015.03.044
BindingDB Entry DOI: 10.7270/Q2T43VS7 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50068004
(CHEMBL3400820)Show SMILES Fc1cnc2ccc(=O)n3CC(F)(CC45CCC(CC4)(CO5)NCc4ccc5OCC(=O)Nc5n4)c1c23 |(-3.69,.87,;-2.62,.24,;-2.62,-1.26,;-1.3,-2.02,;,-1.26,;1.32,-2.02,;2.64,-1.26,;2.64,.24,;3.71,.87,;1.32,1,;.92,2.51,;-1,2.53,;-2.22,2.32,;-.43,3.96,;1.1,4.2,;1.51,2.76,;3.05,2.61,;3.95,3.88,;2.54,3.29,;2.29,4.82,;3.3,5.27,;1.78,5.43,;5.46,3.67,;6.05,2.24,;7.59,2.03,;8.53,3.26,;10.08,3.04,;10.67,1.61,;12.2,1.41,;12.79,-.02,;11.85,-1.24,;12.32,-2.39,;10.31,-1.04,;9.72,.39,;8.19,.59,;-1.3,1,;,.24,)| Show InChI InChI=1S/C26H25F2N5O4/c27-16-10-29-17-2-4-20(35)33-13-26(28,21(16)22(17)33)12-25-7-5-24(6-8-25,14-37-25)30-9-15-1-3-18-23(31-15)32-19(34)11-36-18/h1-4,10,30H,5-9,11-14H2,(H,31,32,34) | 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 | 1.38E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by MK499 binding assay |
Bioorg Med Chem Lett 25: 1831-5 (2015)
Article DOI: 10.1016/j.bmcl.2015.03.044
BindingDB Entry DOI: 10.7270/Q2T43VS7 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50068003
(CHEMBL3400819)Show SMILES Fc1cnc2ccc(=O)n3CC(CC45CCC(CC4)(CO5)NCc4ccc5OCC(=O)Nc5n4)c1c23 |(-3.68,.87,;-2.61,.24,;-2.61,-1.26,;-1.3,-2.01,;,-1.26,;1.32,-2.01,;2.63,-1.26,;2.63,.24,;3.7,.87,;1.32,1,;.92,2.5,;-1,2.52,;-2.01,3.68,;-1.51,5.15,;-.04,4.83,;.81,6.12,;.12,7.51,;-.03,5.99,;-1.49,6.48,;-1.41,7.59,;-2.27,6.32,;1.01,8.75,;2.55,8.6,;3.45,9.85,;2.81,11.26,;3.73,12.52,;5.26,12.37,;6.16,13.62,;7.69,13.47,;8.33,12.07,;9.56,11.95,;7.43,10.81,;5.9,10.96,;5,9.71,;-1.3,1,;,.24,)| Show InChI InChI=1S/C26H26FN5O4/c27-17-11-28-18-2-4-21(34)32-12-15(22(17)23(18)32)9-26-7-5-25(6-8-26,14-36-26)29-10-16-1-3-19-24(30-16)31-20(33)13-35-19/h1-4,11,15,29H,5-10,12-14H2,(H,30,31,33) | 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 | 1.52E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by MK499 binding assay |
Bioorg Med Chem Lett 25: 1831-5 (2015)
Article DOI: 10.1016/j.bmcl.2015.03.044
BindingDB Entry DOI: 10.7270/Q2T43VS7 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50068003
(CHEMBL3400819)Show SMILES Fc1cnc2ccc(=O)n3CC(CC45CCC(CC4)(CO5)NCc4ccc5OCC(=O)Nc5n4)c1c23 |(-3.68,.87,;-2.61,.24,;-2.61,-1.26,;-1.3,-2.01,;,-1.26,;1.32,-2.01,;2.63,-1.26,;2.63,.24,;3.7,.87,;1.32,1,;.92,2.5,;-1,2.52,;-2.01,3.68,;-1.51,5.15,;-.04,4.83,;.81,6.12,;.12,7.51,;-.03,5.99,;-1.49,6.48,;-1.41,7.59,;-2.27,6.32,;1.01,8.75,;2.55,8.6,;3.45,9.85,;2.81,11.26,;3.73,12.52,;5.26,12.37,;6.16,13.62,;7.69,13.47,;8.33,12.07,;9.56,11.95,;7.43,10.81,;5.9,10.96,;5,9.71,;-1.3,1,;,.24,)| Show InChI InChI=1S/C26H26FN5O4/c27-17-11-28-18-2-4-21(34)32-12-15(22(17)23(18)32)9-26-7-5-25(6-8-26,14-36-26)29-10-16-1-3-19-24(30-16)31-20(33)13-35-19/h1-4,11,15,29H,5-10,12-14H2,(H,30,31,33) | 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 | 1.52E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by MK499 binding assay |
Bioorg Med Chem Lett 25: 1831-5 (2015)
Article DOI: 10.1016/j.bmcl.2015.03.044
BindingDB Entry DOI: 10.7270/Q2T43VS7 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50068003
(CHEMBL3400819)Show SMILES Fc1cnc2ccc(=O)n3CC(CC45CCC(CC4)(CO5)NCc4ccc5OCC(=O)Nc5n4)c1c23 |(-3.68,.87,;-2.61,.24,;-2.61,-1.26,;-1.3,-2.01,;,-1.26,;1.32,-2.01,;2.63,-1.26,;2.63,.24,;3.7,.87,;1.32,1,;.92,2.5,;-1,2.52,;-2.01,3.68,;-1.51,5.15,;-.04,4.83,;.81,6.12,;.12,7.51,;-.03,5.99,;-1.49,6.48,;-1.41,7.59,;-2.27,6.32,;1.01,8.75,;2.55,8.6,;3.45,9.85,;2.81,11.26,;3.73,12.52,;5.26,12.37,;6.16,13.62,;7.69,13.47,;8.33,12.07,;9.56,11.95,;7.43,10.81,;5.9,10.96,;5,9.71,;-1.3,1,;,.24,)| Show InChI InChI=1S/C26H26FN5O4/c27-17-11-28-18-2-4-21(34)32-12-15(22(17)23(18)32)9-26-7-5-25(6-8-26,14-36-26)29-10-16-1-3-19-24(30-16)31-20(33)13-35-19/h1-4,11,15,29H,5-10,12-14H2,(H,30,31,33) | 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 | 1.58E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in CHO cells by Patch express assay |
Bioorg Med Chem Lett 25: 1831-5 (2015)
Article DOI: 10.1016/j.bmcl.2015.03.044
BindingDB Entry DOI: 10.7270/Q2T43VS7 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50068003
(CHEMBL3400819)Show SMILES Fc1cnc2ccc(=O)n3CC(CC45CCC(CC4)(CO5)NCc4ccc5OCC(=O)Nc5n4)c1c23 |(-3.68,.87,;-2.61,.24,;-2.61,-1.26,;-1.3,-2.01,;,-1.26,;1.32,-2.01,;2.63,-1.26,;2.63,.24,;3.7,.87,;1.32,1,;.92,2.5,;-1,2.52,;-2.01,3.68,;-1.51,5.15,;-.04,4.83,;.81,6.12,;.12,7.51,;-.03,5.99,;-1.49,6.48,;-1.41,7.59,;-2.27,6.32,;1.01,8.75,;2.55,8.6,;3.45,9.85,;2.81,11.26,;3.73,12.52,;5.26,12.37,;6.16,13.62,;7.69,13.47,;8.33,12.07,;9.56,11.95,;7.43,10.81,;5.9,10.96,;5,9.71,;-1.3,1,;,.24,)| Show InChI InChI=1S/C26H26FN5O4/c27-17-11-28-18-2-4-21(34)32-12-15(22(17)23(18)32)9-26-7-5-25(6-8-26,14-36-26)29-10-16-1-3-19-24(30-16)31-20(33)13-35-19/h1-4,11,15,29H,5-10,12-14H2,(H,30,31,33) | 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 | 1.58E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in CHO cells by Patch express assay |
Bioorg Med Chem Lett 25: 1831-5 (2015)
Article DOI: 10.1016/j.bmcl.2015.03.044
BindingDB Entry DOI: 10.7270/Q2T43VS7 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50068000
(CHEMBL3305167)Show SMILES COc1ccc2ncc(F)c(C[C@H](O)C34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1 |r| Show InChI InChI=1S/C26H28FN5O5/c1-35-22-5-3-18-23(32-22)16(17(27)12-28-18)10-20(33)26-8-6-25(7-9-26,14-37-26)29-11-15-2-4-19-24(30-15)31-21(34)13-36-19/h2-5,12,20,29,33H,6-11,13-14H2,1H3,(H,30,31,34)/t20-,25?,26?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in CHO cells by Patch express assay |
Bioorg Med Chem Lett 25: 1831-5 (2015)
Article DOI: 10.1016/j.bmcl.2015.03.044
BindingDB Entry DOI: 10.7270/Q2T43VS7 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50068003
(CHEMBL3400819)Show SMILES Fc1cnc2ccc(=O)n3CC(CC45CCC(CC4)(CO5)NCc4ccc5OCC(=O)Nc5n4)c1c23 |(-3.68,.87,;-2.61,.24,;-2.61,-1.26,;-1.3,-2.01,;,-1.26,;1.32,-2.01,;2.63,-1.26,;2.63,.24,;3.7,.87,;1.32,1,;.92,2.5,;-1,2.52,;-2.01,3.68,;-1.51,5.15,;-.04,4.83,;.81,6.12,;.12,7.51,;-.03,5.99,;-1.49,6.48,;-1.41,7.59,;-2.27,6.32,;1.01,8.75,;2.55,8.6,;3.45,9.85,;2.81,11.26,;3.73,12.52,;5.26,12.37,;6.16,13.62,;7.69,13.47,;8.33,12.07,;9.56,11.95,;7.43,10.81,;5.9,10.96,;5,9.71,;-1.3,1,;,.24,)| Show InChI InChI=1S/C26H26FN5O4/c27-17-11-28-18-2-4-21(34)32-12-15(22(17)23(18)32)9-26-7-5-25(6-8-26,14-36-26)29-10-16-1-3-19-24(30-16)31-20(33)13-35-19/h1-4,11,15,29H,5-10,12-14H2,(H,30,31,33) | 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 | 2.16E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in CHO cells by Patch express assay |
Bioorg Med Chem Lett 25: 1831-5 (2015)
Article DOI: 10.1016/j.bmcl.2015.03.044
BindingDB Entry DOI: 10.7270/Q2T43VS7 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50068006
(CHEMBL3400822)Show SMILES CO[C@]1(CC23CCC(CC2)(CO3)NCc2ccc3OCC(=O)Nc3n2)Cn2c3c1c(F)cnc3ccc2=O |r,wU:2.1,(-1.72,5.11,;-2.94,4.91,;-3.47,3.47,;-2.52,2.26,;-.98,2.47,;-.6,1.02,;.93,.83,;1.87,2.08,;.44,1.53,;.22,3.06,;1.25,3.49,;-.27,3.69,;3.37,1.84,;3.93,.39,;5.46,.15,;6.43,1.35,;7.97,1.1,;8.53,-.34,;10.05,-.58,;10.61,-2.03,;9.64,-3.23,;10.08,-4.38,;8.11,-2.99,;7.56,-1.54,;6.03,-1.3,;-4.92,4.74,;-6.22,3.88,;-5.74,2.44,;-4.27,2.13,;-3.78,.69,;-2.57,.44,;-4.79,-.43,;-6.28,-.12,;-6.74,1.31,;-8.23,1.63,;-8.71,3.07,;-7.71,4.19,;-8.09,5.37,)| Show InChI InChI=1S/C27H28FN5O5/c1-36-27(14-33-21(35)5-3-18-23(33)22(27)17(28)11-29-18)13-26-8-6-25(7-9-26,15-38-26)30-10-16-2-4-19-24(31-16)32-20(34)12-37-19/h2-5,11,30H,6-10,12-15H2,1H3,(H,31,32,34)/t25?,26?,27-/m1/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 | 2.45E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by MK499 binding assay |
Bioorg Med Chem Lett 25: 1831-5 (2015)
Article DOI: 10.1016/j.bmcl.2015.03.044
BindingDB Entry DOI: 10.7270/Q2T43VS7 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50068000
(CHEMBL3305167)Show SMILES COc1ccc2ncc(F)c(C[C@H](O)C34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1 |r| Show InChI InChI=1S/C26H28FN5O5/c1-35-22-5-3-18-23(32-22)16(17(27)12-28-18)10-20(33)26-8-6-25(7-9-26,14-37-26)29-11-15-2-4-19-24(30-15)31-21(34)13-36-19/h2-5,12,20,29,33H,6-11,13-14H2,1H3,(H,30,31,34)/t20-,25?,26?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by MK499 binding assay |
Bioorg Med Chem Lett 25: 1831-5 (2015)
Article DOI: 10.1016/j.bmcl.2015.03.044
BindingDB Entry DOI: 10.7270/Q2T43VS7 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50068016
(CHEMBL3402185)Show SMILES O[C@@]1(CC23CCC(CC2)(CO3)NCc2ccc3OCC(=O)Nc3n2)Cn2c3c1c(Cl)cnc3ccc2=O |r,wU:1.0,(-2.22,2.32,;-1,2.53,;-.43,3.96,;1.1,4.2,;1.51,2.76,;3.05,2.61,;3.95,3.88,;2.54,3.29,;2.29,4.82,;3.3,5.27,;1.78,5.43,;5.46,3.67,;6.05,2.24,;7.59,2.03,;8.53,3.26,;10.08,3.04,;10.67,1.61,;12.2,1.41,;12.79,-.02,;11.85,-1.24,;12.32,-2.39,;10.31,-1.04,;9.72,.39,;8.19,.59,;.92,2.51,;1.32,1,;,.24,;-1.3,1,;-2.62,.24,;-3.69,.87,;-2.62,-1.26,;-1.3,-2.02,;,-1.26,;1.32,-2.02,;2.64,-1.26,;2.64,.24,;3.71,.87,)| Show InChI InChI=1S/C26H26ClN5O5/c27-16-10-28-17-2-4-20(34)32-13-26(35,21(16)22(17)32)12-25-7-5-24(6-8-25,14-37-25)29-9-15-1-3-18-23(30-15)31-19(33)11-36-18/h1-4,10,29,35H,5-9,11-14H2,(H,30,31,33)/t24?,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
| n/a | n/a | 5.33E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by MK499 binding assay |
Bioorg Med Chem Lett 25: 1831-5 (2015)
Article DOI: 10.1016/j.bmcl.2015.03.044
BindingDB Entry DOI: 10.7270/Q2T43VS7 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50068017
(CHEMBL3402186)Show SMILES O[C@]1(CC23CCC(CC2)(CO3)NCc2ccc3OCC(=O)Nc3n2)Cn2c3c1c(Cl)cnc3ccc2=O |r,wD:1.0,(-2.22,2.32,;-1,2.53,;-.43,3.96,;1.1,4.2,;1.51,2.76,;3.05,2.61,;3.95,3.88,;2.54,3.29,;2.29,4.82,;3.3,5.27,;1.78,5.43,;5.46,3.67,;6.05,2.24,;7.59,2.03,;8.53,3.26,;10.08,3.04,;10.67,1.61,;12.2,1.41,;12.79,-.02,;11.85,-1.24,;12.32,-2.39,;10.31,-1.04,;9.72,.39,;8.19,.59,;.92,2.51,;1.32,1,;,.24,;-1.3,1,;-2.62,.24,;-3.69,.87,;-2.62,-1.26,;-1.3,-2.02,;,-1.26,;1.32,-2.02,;2.64,-1.26,;2.64,.24,;3.71,.87,)| Show InChI InChI=1S/C26H26ClN5O5/c27-16-10-28-17-2-4-20(34)32-13-26(35,21(16)22(17)32)12-25-7-5-24(6-8-25,14-37-25)29-9-15-1-3-18-23(30-15)31-19(33)11-36-18/h1-4,10,29,35H,5-9,11-14H2,(H,30,31,33)/t24?,25?,26-/m1/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+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by MK499 binding assay |
Bioorg Med Chem Lett 25: 1831-5 (2015)
Article DOI: 10.1016/j.bmcl.2015.03.044
BindingDB Entry DOI: 10.7270/Q2T43VS7 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50068018
(CHEMBL3402187)Show SMILES COc1cnc2ccc(=O)n3C[C@@](O)(CC45CCC(CC4)(CO5)NCc4ccc5OCC(=O)Nc5n4)c1c23 |r,wU:12.12,(-5.03,.4,;-3.96,1.02,;-2.62,.24,;-2.62,-1.26,;-1.3,-2.02,;,-1.26,;1.32,-2.02,;2.64,-1.26,;2.64,.24,;3.71,.87,;1.32,1,;.92,2.51,;-1,2.53,;-2.22,2.32,;-.43,3.96,;1.1,4.2,;1.51,2.76,;3.05,2.61,;3.95,3.88,;2.54,3.29,;2.29,4.82,;3.3,5.27,;1.78,5.43,;5.46,3.67,;6.05,2.24,;7.59,2.03,;8.53,3.26,;10.08,3.04,;10.67,1.61,;12.2,1.41,;12.79,-.02,;11.85,-1.24,;12.32,-2.39,;10.31,-1.04,;9.72,.39,;8.19,.59,;-1.3,1,;,.24,)| Show InChI InChI=1S/C27H29N5O6/c1-36-19-11-28-17-3-5-21(34)32-14-27(35,22(19)23(17)32)13-26-8-6-25(7-9-26,15-38-26)29-10-16-2-4-18-24(30-16)31-20(33)12-37-18/h2-5,11,29,35H,6-10,12-15H2,1H3,(H,30,31,33)/t25?,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
| n/a | n/a | >6.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by MK499 binding assay |
Bioorg Med Chem Lett 25: 1831-5 (2015)
Article DOI: 10.1016/j.bmcl.2015.03.044
BindingDB Entry DOI: 10.7270/Q2T43VS7 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50068011
(CHEMBL3402180)Show SMILES OC1(CC23CCC(CC2)(CO3)NCc2ccc3OCC(=O)Nc3n2)Cn2c3c1c(F)cnc3cc(Cl)c2=O |(-2.22,2.32,;-1,2.53,;-.43,3.96,;1.1,4.2,;1.51,2.76,;3.05,2.61,;3.95,3.88,;2.54,3.29,;2.29,4.82,;3.3,5.27,;1.78,5.43,;5.46,3.67,;6.05,2.24,;7.59,2.03,;8.53,3.26,;10.08,3.04,;10.67,1.61,;12.2,1.41,;12.79,-.02,;11.85,-1.24,;12.32,-2.39,;10.31,-1.04,;9.72,.39,;8.19,.59,;.92,2.51,;1.32,1,;,.24,;-1.3,1,;-2.62,.24,;-3.69,.87,;-2.62,-1.26,;-1.3,-2.02,;,-1.26,;1.32,-2.02,;2.64,-1.26,;3.71,-1.88,;2.64,.24,;3.71,.87,)| Show InChI InChI=1S/C26H25ClFN5O5/c27-15-7-17-21-20(16(28)9-29-17)26(36,12-33(21)23(15)35)11-25-5-3-24(4-6-25,13-38-25)30-8-14-1-2-18-22(31-14)32-19(34)10-37-18/h1-2,7,9,30,36H,3-6,8,10-13H2,(H,31,32,34) | 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+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by MK499 binding assay |
Bioorg Med Chem Lett 25: 1831-5 (2015)
Article DOI: 10.1016/j.bmcl.2015.03.044
BindingDB Entry DOI: 10.7270/Q2T43VS7 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50068001
(CHEMBL3400817)Show SMILES O[C@@]1(CC23CCC(CC2)(CO3)NCc2ccc3OCC(=O)Nc3n2)Cn2c3c1c(F)cnc3ccc2=O |r,wU:1.0,(-2.22,2.32,;-1,2.53,;-.43,3.96,;1.1,4.2,;1.51,2.76,;3.05,2.61,;3.95,3.88,;2.54,3.29,;2.29,4.82,;3.3,5.27,;1.78,5.43,;5.46,3.67,;6.05,2.24,;7.59,2.03,;8.53,3.26,;10.08,3.04,;10.67,1.61,;12.2,1.41,;12.79,-.02,;11.85,-1.24,;12.32,-2.39,;10.31,-1.04,;9.72,.39,;8.19,.59,;.92,2.51,;1.32,1,;,.24,;-1.3,1,;-2.62,.24,;-3.69,.87,;-2.62,-1.26,;-1.3,-2.02,;,-1.26,;1.32,-2.02,;2.64,-1.26,;2.64,.24,;3.71,.87,)| Show InChI InChI=1S/C26H26FN5O5/c27-16-10-28-17-2-4-20(34)32-13-26(35,21(16)22(17)32)12-25-7-5-24(6-8-25,14-37-25)29-9-15-1-3-18-23(30-15)31-19(33)11-36-18/h1-4,10,29,35H,5-9,11-14H2,(H,30,31,33)/t24?,25?,26-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | >6.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by MK499 binding assay |
Bioorg Med Chem Lett 25: 1831-5 (2015)
Article DOI: 10.1016/j.bmcl.2015.03.044
BindingDB Entry DOI: 10.7270/Q2T43VS7 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50068002
(CHEMBL3400818)Show SMILES O[C@]1(CC23CCC(CC2)(CO3)NCc2ccc3OCC(=O)Nc3n2)Cn2c3c1c(F)cnc3ccc2=O |r,wD:1.0,(-2.22,2.32,;-1,2.53,;-.43,3.96,;1.1,4.2,;1.51,2.76,;3.05,2.61,;3.95,3.88,;2.54,3.29,;2.29,4.82,;3.3,5.27,;1.78,5.43,;5.46,3.67,;6.05,2.24,;7.59,2.03,;8.53,3.26,;10.08,3.04,;10.67,1.61,;12.2,1.41,;12.79,-.02,;11.85,-1.24,;12.32,-2.39,;10.31,-1.04,;9.72,.39,;8.19,.59,;.92,2.51,;1.32,1,;,.24,;-1.3,1,;-2.62,.24,;-3.69,.87,;-2.62,-1.26,;-1.3,-2.02,;,-1.26,;1.32,-2.02,;2.64,-1.26,;2.64,.24,;3.71,.87,)| Show InChI InChI=1S/C26H26FN5O5/c27-16-10-28-17-2-4-20(34)32-13-26(35,21(16)22(17)32)12-25-7-5-24(6-8-25,14-37-25)29-9-15-1-3-18-23(30-15)31-19(33)11-36-18/h1-4,10,29,35H,5-9,11-14H2,(H,30,31,33)/t24?,25?,26-/m1/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+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by MK499 binding assay |
Bioorg Med Chem Lett 25: 1831-5 (2015)
Article DOI: 10.1016/j.bmcl.2015.03.044
BindingDB Entry DOI: 10.7270/Q2T43VS7 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50068007
(CHEMBL3400823)Show SMILES O[C@@]1(CC23CCC(CC2)(CO3)NCc2ccc3OCC(=O)Nc3n2)CN2c3c1c(F)cnc3CCC2=O |r,wU:1.0,(-2.22,2.32,;-1,2.53,;-.43,3.96,;1.1,4.2,;1.51,2.76,;3.05,2.61,;3.95,3.88,;2.54,3.29,;2.29,4.82,;3.3,5.27,;1.78,5.43,;5.46,3.67,;6.05,2.24,;7.59,2.03,;8.53,3.26,;10.08,3.04,;10.67,1.61,;12.2,1.41,;12.79,-.02,;11.85,-1.24,;12.32,-2.39,;10.31,-1.04,;9.72,.39,;8.19,.59,;.92,2.51,;1.32,1,;,.24,;-1.3,1,;-2.62,.24,;-3.69,.87,;-2.62,-1.26,;-1.3,-2.02,;,-1.26,;1.32,-2.02,;2.64,-1.26,;2.64,.24,;3.71,.87,)| Show InChI InChI=1S/C26H28FN5O5/c27-16-10-28-17-2-4-20(34)32-13-26(35,21(16)22(17)32)12-25-7-5-24(6-8-25,14-37-25)29-9-15-1-3-18-23(30-15)31-19(33)11-36-18/h1,3,10,29,35H,2,4-9,11-14H2,(H,30,31,33)/t24?,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
| n/a | n/a | >6.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by MK499 binding assay |
Bioorg Med Chem Lett 25: 1831-5 (2015)
Article DOI: 10.1016/j.bmcl.2015.03.044
BindingDB Entry DOI: 10.7270/Q2T43VS7 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50068008
(CHEMBL3400824)Show SMILES O[C@]1(CC23CCC(CC2)(CO3)NCc2ccc3OCC(=O)Nc3n2)CN2c3c1c(F)cnc3CCC2=O |r,wD:1.0,(-2.22,2.32,;-1,2.53,;-.43,3.96,;1.1,4.2,;1.51,2.76,;3.05,2.61,;3.95,3.88,;2.54,3.29,;2.29,4.82,;3.3,5.27,;1.78,5.43,;5.46,3.67,;6.05,2.24,;7.59,2.03,;8.53,3.26,;10.08,3.04,;10.67,1.61,;12.2,1.41,;12.79,-.02,;11.85,-1.24,;12.32,-2.39,;10.31,-1.04,;9.72,.39,;8.19,.59,;.92,2.51,;1.32,1,;,.24,;-1.3,1,;-2.62,.24,;-3.69,.87,;-2.62,-1.26,;-1.3,-2.02,;,-1.26,;1.32,-2.02,;2.64,-1.26,;2.64,.24,;3.71,.87,)| Show InChI InChI=1S/C26H28FN5O5/c27-16-10-28-17-2-4-20(34)32-13-26(35,21(16)22(17)32)12-25-7-5-24(6-8-25,14-37-25)29-9-15-1-3-18-23(30-15)31-19(33)11-36-18/h1,3,10,29,35H,2,4-9,11-14H2,(H,30,31,33)/t24?,25?,26-/m1/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+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by MK499 binding assay |
Bioorg Med Chem Lett 25: 1831-5 (2015)
Article DOI: 10.1016/j.bmcl.2015.03.044
BindingDB Entry DOI: 10.7270/Q2T43VS7 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50068009
(CHEMBL3402178)Show SMILES O[C@@]1(CC23CCC(CC2)(CO3)NCc2ccc3OCC(=O)Nc3n2)Cn2c3c1c(F)cnc3cc(F)c2=O |r,wU:1.0,(-2.22,2.32,;-1,2.53,;-.43,3.96,;1.1,4.2,;1.51,2.76,;3.05,2.61,;3.95,3.88,;2.54,3.29,;2.29,4.82,;3.3,5.27,;1.78,5.43,;5.46,3.67,;6.05,2.24,;7.59,2.03,;8.53,3.26,;10.08,3.04,;10.67,1.61,;12.2,1.41,;12.79,-.02,;11.85,-1.24,;12.32,-2.39,;10.31,-1.04,;9.72,.39,;8.19,.59,;.92,2.51,;1.32,1,;,.24,;-1.3,1,;-2.62,.24,;-3.69,.87,;-2.62,-1.26,;-1.3,-2.02,;,-1.26,;1.32,-2.02,;2.64,-1.26,;3.71,-1.88,;2.64,.24,;3.71,.87,)| Show InChI InChI=1S/C26H25F2N5O5/c27-15-7-17-21-20(16(28)9-29-17)26(36,12-33(21)23(15)35)11-25-5-3-24(4-6-25,13-38-25)30-8-14-1-2-18-22(31-14)32-19(34)10-37-18/h1-2,7,9,30,36H,3-6,8,10-13H2,(H,31,32,34)/t24?,25?,26-/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
| n/a | n/a | >6.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by MK499 binding assay |
Bioorg Med Chem Lett 25: 1831-5 (2015)
Article DOI: 10.1016/j.bmcl.2015.03.044
BindingDB Entry DOI: 10.7270/Q2T43VS7 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50068010
(CHEMBL3402179)Show SMILES O[C@]1(CC23CCC(CC2)(CO3)NCc2ccc3OCC(=O)Nc3n2)Cn2c3c1c(F)cnc3cc(F)c2=O |r,wD:1.0,(-2.22,2.32,;-1,2.53,;-.43,3.96,;1.1,4.2,;1.51,2.76,;3.05,2.61,;3.95,3.88,;2.54,3.29,;2.29,4.82,;3.3,5.27,;1.78,5.43,;5.46,3.67,;6.05,2.24,;7.59,2.03,;8.53,3.26,;10.08,3.04,;10.67,1.61,;12.2,1.41,;12.79,-.02,;11.85,-1.24,;12.32,-2.39,;10.31,-1.04,;9.72,.39,;8.19,.59,;.92,2.51,;1.32,1,;,.24,;-1.3,1,;-2.62,.24,;-3.69,.87,;-2.62,-1.26,;-1.3,-2.02,;,-1.26,;1.32,-2.02,;2.64,-1.26,;3.71,-1.88,;2.64,.24,;3.71,.87,)| Show InChI InChI=1S/C26H25F2N5O5/c27-15-7-17-21-20(16(28)9-29-17)26(36,12-33(21)23(15)35)11-25-5-3-24(4-6-25,13-38-25)30-8-14-1-2-18-22(31-14)32-19(34)10-37-18/h1-2,7,9,30,36H,3-6,8,10-13H2,(H,31,32,34)/t24?,25?,26-/m1/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+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by MK499 binding assay |
Bioorg Med Chem Lett 25: 1831-5 (2015)
Article DOI: 10.1016/j.bmcl.2015.03.044
BindingDB Entry DOI: 10.7270/Q2T43VS7 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50068012
(CHEMBL3402181)Show SMILES Cc1cc(=O)n2C[C@@](O)(CC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c3c(F)cnc1c23 |r,wU:7.7,(1.32,-3.26,;1.32,-2.02,;2.64,-1.26,;2.64,.24,;3.71,.87,;1.32,1,;.92,2.51,;-1,2.53,;-2.22,2.32,;-.43,3.96,;1.1,4.2,;1.51,2.76,;3.05,2.61,;3.95,3.88,;2.54,3.29,;2.29,4.82,;3.3,5.27,;1.78,5.43,;5.46,3.67,;6.05,2.24,;7.59,2.03,;8.53,3.26,;10.08,3.04,;10.67,1.61,;12.2,1.41,;12.79,-.02,;11.85,-1.24,;12.32,-2.39,;10.31,-1.04,;9.72,.39,;8.19,.59,;-1.3,1,;-2.62,.24,;-3.69,.87,;-2.62,-1.26,;-1.3,-2.02,;,-1.26,;,.24,)| Show InChI InChI=1S/C27H28FN5O5/c1-15-8-20(35)33-13-27(36,21-17(28)10-29-22(15)23(21)33)12-26-6-4-25(5-7-26,14-38-26)30-9-16-2-3-18-24(31-16)32-19(34)11-37-18/h2-3,8,10,30,36H,4-7,9,11-14H2,1H3,(H,31,32,34)/t25?,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
| n/a | n/a | >6.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by MK499 binding assay |
Bioorg Med Chem Lett 25: 1831-5 (2015)
Article DOI: 10.1016/j.bmcl.2015.03.044
BindingDB Entry DOI: 10.7270/Q2T43VS7 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50068015
(CHEMBL3402184)Show SMILES O[C@@]1(CC23CCC(CC2)(CO3)NCc2ccc3OCC(=O)Nc3n2)Cn2c3c1c(F)c(Cl)nc3ccc2=O |r,wU:1.0,(-2.22,2.32,;-1,2.53,;-.43,3.96,;1.1,4.2,;1.51,2.76,;3.05,2.61,;3.95,3.88,;2.54,3.29,;2.29,4.82,;3.3,5.27,;1.78,5.43,;5.46,3.67,;6.05,2.24,;7.59,2.03,;8.53,3.26,;10.08,3.04,;10.67,1.61,;12.2,1.41,;12.79,-.02,;11.85,-1.24,;12.32,-2.39,;10.31,-1.04,;9.72,.39,;8.19,.59,;.92,2.51,;1.32,1,;,.24,;-1.3,1,;-2.62,.24,;-3.69,.87,;-2.62,-1.26,;-3.69,-1.88,;-1.3,-2.02,;,-1.26,;1.32,-2.02,;2.64,-1.26,;2.64,.24,;3.71,.87,)| Show InChI InChI=1S/C26H25ClFN5O5/c27-22-20(28)19-21-15(31-22)2-4-18(35)33(21)12-26(19,36)11-25-7-5-24(6-8-25,13-38-25)29-9-14-1-3-16-23(30-14)32-17(34)10-37-16/h1-4,29,36H,5-13H2,(H,30,32,34)/t24?,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
| n/a | n/a | >6.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by MK499 binding assay |
Bioorg Med Chem Lett 25: 1831-5 (2015)
Article DOI: 10.1016/j.bmcl.2015.03.044
BindingDB Entry DOI: 10.7270/Q2T43VS7 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50068014
(CHEMBL3402183)Show SMILES OC1(CC23CCC(CC2)(CO3)NCc2ccc3OCC(=O)Nc3n2)Cn2c3c1c(F)cnc3c(Cl)cc2=O |(-2.22,2.32,;-1,2.53,;-.43,3.96,;1.1,4.2,;1.51,2.76,;3.05,2.61,;3.95,3.88,;2.54,3.29,;2.29,4.82,;3.3,5.27,;1.78,5.43,;5.46,3.67,;6.05,2.24,;7.59,2.03,;8.53,3.26,;10.08,3.04,;10.67,1.61,;12.2,1.41,;12.79,-.02,;11.85,-1.24,;12.32,-2.39,;10.31,-1.04,;9.72,.39,;8.19,.59,;.92,2.51,;1.32,1,;,.24,;-1.3,1,;-2.62,.24,;-3.69,.87,;-2.62,-1.26,;-1.3,-2.02,;,-1.26,;1.32,-2.02,;1.32,-3.26,;2.64,-1.26,;2.64,.24,;3.71,.87,)| Show InChI InChI=1S/C26H25ClFN5O5/c27-15-7-19(35)33-12-26(36,20-16(28)9-29-21(15)22(20)33)11-25-5-3-24(4-6-25,13-38-25)30-8-14-1-2-17-23(31-14)32-18(34)10-37-17/h1-2,7,9,30,36H,3-6,8,10-13H2,(H,31,32,34) | 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+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by MK499 binding assay |
Bioorg Med Chem Lett 25: 1831-5 (2015)
Article DOI: 10.1016/j.bmcl.2015.03.044
BindingDB Entry DOI: 10.7270/Q2T43VS7 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50068013
(CHEMBL3402182)Show SMILES Cc1cc(=O)n2C[C@](O)(CC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c3c(F)cnc1c23 |r,wD:7.7,(1.32,-3.26,;1.32,-2.02,;2.64,-1.26,;2.64,.24,;3.71,.87,;1.32,1,;.92,2.51,;-1,2.53,;-2.22,2.32,;-.43,3.96,;1.1,4.2,;1.51,2.76,;3.05,2.61,;3.95,3.88,;2.54,3.29,;2.29,4.82,;3.3,5.27,;1.78,5.43,;5.46,3.67,;6.05,2.24,;7.59,2.03,;8.53,3.26,;10.08,3.04,;10.67,1.61,;12.2,1.41,;12.79,-.02,;11.85,-1.24,;12.32,-2.39,;10.31,-1.04,;9.72,.39,;8.19,.59,;-1.3,1,;-2.62,.24,;-3.69,.87,;-2.62,-1.26,;-1.3,-2.02,;,-1.26,;,.24,)| Show InChI InChI=1S/C27H28FN5O5/c1-15-8-20(35)33-13-27(36,21-17(28)10-29-22(15)23(21)33)12-26-6-4-25(5-7-26,14-38-26)30-9-16-2-3-18-24(31-16)32-19(34)11-37-18/h2-3,8,10,30,36H,4-7,9,11-14H2,1H3,(H,31,32,34)/t25?,26?,27-/m1/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+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by MK499 binding assay |
Bioorg Med Chem Lett 25: 1831-5 (2015)
Article DOI: 10.1016/j.bmcl.2015.03.044
BindingDB Entry DOI: 10.7270/Q2T43VS7 |
More data for this
Ligand-Target Pair | |
Beta-1/Beta-2/Beta-3 adrenergic receptor
(Rattus norvegicus (Rat)) | BDBM50214285
(CHEMBL279012)Show InChI InChI=1S/C15H23F2NO3/c1-11(2)18-10-14(19)15(16,17)21-13-6-4-12(5-7-13)8-9-20-3/h4-7,11,14,18-19H,8-10H2,1-3H3/t14-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
The compound was tested for its ability to inhibit (-)-[3H]dihydroalprenolol binding to beta-adrenergic receptor sites in rat cortex |
Bioorg Med Chem Lett 7: 1273-1274 (1997)
Article DOI: 10.1016/S0960-894X(97)00207-2
BindingDB Entry DOI: 10.7270/Q2SX6D7F |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50068001
(CHEMBL3400817)Show SMILES O[C@@]1(CC23CCC(CC2)(CO3)NCc2ccc3OCC(=O)Nc3n2)Cn2c3c1c(F)cnc3ccc2=O |r,wU:1.0,(-2.22,2.32,;-1,2.53,;-.43,3.96,;1.1,4.2,;1.51,2.76,;3.05,2.61,;3.95,3.88,;2.54,3.29,;2.29,4.82,;3.3,5.27,;1.78,5.43,;5.46,3.67,;6.05,2.24,;7.59,2.03,;8.53,3.26,;10.08,3.04,;10.67,1.61,;12.2,1.41,;12.79,-.02,;11.85,-1.24,;12.32,-2.39,;10.31,-1.04,;9.72,.39,;8.19,.59,;.92,2.51,;1.32,1,;,.24,;-1.3,1,;-2.62,.24,;-3.69,.87,;-2.62,-1.26,;-1.3,-2.02,;,-1.26,;1.32,-2.02,;2.64,-1.26,;2.64,.24,;3.71,.87,)| Show InChI InChI=1S/C26H26FN5O5/c27-16-10-28-17-2-4-20(34)32-13-26(35,21(16)22(17)32)12-25-7-5-24(6-8-25,14-37-25)29-9-15-1-3-18-23(30-15)31-19(33)11-36-18/h1-4,10,29,35H,5-9,11-14H2,(H,30,31,33)/t24?,25?,26-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.74E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in CHO cells by Patch express assay |
Bioorg Med Chem Lett 25: 1831-5 (2015)
Article DOI: 10.1016/j.bmcl.2015.03.044
BindingDB Entry DOI: 10.7270/Q2T43VS7 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50068002
(CHEMBL3400818)Show SMILES O[C@]1(CC23CCC(CC2)(CO3)NCc2ccc3OCC(=O)Nc3n2)Cn2c3c1c(F)cnc3ccc2=O |r,wD:1.0,(-2.22,2.32,;-1,2.53,;-.43,3.96,;1.1,4.2,;1.51,2.76,;3.05,2.61,;3.95,3.88,;2.54,3.29,;2.29,4.82,;3.3,5.27,;1.78,5.43,;5.46,3.67,;6.05,2.24,;7.59,2.03,;8.53,3.26,;10.08,3.04,;10.67,1.61,;12.2,1.41,;12.79,-.02,;11.85,-1.24,;12.32,-2.39,;10.31,-1.04,;9.72,.39,;8.19,.59,;.92,2.51,;1.32,1,;,.24,;-1.3,1,;-2.62,.24,;-3.69,.87,;-2.62,-1.26,;-1.3,-2.02,;,-1.26,;1.32,-2.02,;2.64,-1.26,;2.64,.24,;3.71,.87,)| Show InChI InChI=1S/C26H26FN5O5/c27-16-10-28-17-2-4-20(34)32-13-26(35,21(16)22(17)32)12-25-7-5-24(6-8-25,14-37-25)29-9-15-1-3-18-23(30-15)31-19(33)11-36-18/h1-4,10,29,35H,5-9,11-14H2,(H,30,31,33)/t24?,25?,26-/m1/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 | 3.94E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in CHO cells by Patch express assay |
Bioorg Med Chem Lett 25: 1831-5 (2015)
Article DOI: 10.1016/j.bmcl.2015.03.044
BindingDB Entry DOI: 10.7270/Q2T43VS7 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50545481
(CHEMBL4632584)Show SMILES [H][C@]12Cc3ccc(O)cc3[C@@]3(CCN1C(=O)Cc1ccccc1)Cc1nc4ccccc4cc1C[C@@]23O |r,THB:14:13:9.3.2:35| Show InChI InChI=1S/C31H28N2O3/c34-24-11-10-21-16-28-31(36)18-23-15-22-8-4-5-9-26(22)32-27(23)19-30(31,25(21)17-24)12-13-33(28)29(35)14-20-6-2-1-3-7-20/h1-11,15,17,28,34,36H,12-14,16,18-19H2/t28-,30-,31-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 14 | n/a | n/a | n/a | n/a |
Kitasato University
Curated by ChEMBL
| Assay Description
Agonist activity at human delta opioid receptor expressed in CHO cell membranes by [35S]GTPgammaS binding assay |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2020.127176
BindingDB Entry DOI: 10.7270/Q2W380XV |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50545482
(CHEMBL4649733)Show SMILES [H][C@]12Cc3ccc(O)cc3[C@@]3(CCN1C(=O)CCc1ccccc1)Cc1nc4ccccc4cc1C[C@@]23O |r,THB:14:13:9.3.2:36| Show InChI InChI=1S/C32H30N2O3/c35-25-12-11-22-17-29-32(37)19-24-16-23-8-4-5-9-27(23)33-28(24)20-31(32,26(22)18-25)14-15-34(29)30(36)13-10-21-6-2-1-3-7-21/h1-9,11-12,16,18,29,35,37H,10,13-15,17,19-20H2/t29-,31-,32-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 10 | n/a | n/a | n/a | n/a |
Kitasato University
Curated by ChEMBL
| Assay Description
Agonist activity at human delta opioid receptor expressed in CHO cell membranes by [35S]GTPgammaS binding assay |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2020.127176
BindingDB Entry DOI: 10.7270/Q2W380XV |
More data for this
Ligand-Target Pair | |
Search and Browse
