Found 155 hits with Last Name = 'browne' and Initial = 'h' 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 |
|---|
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50364234
(CHEMBL1952279)Show SMILES CN(Cc1ccccc1)C(=O)N1CC(C1)O[C@H](c1ccc(Cl)cc1)c1cccnc1Cl |r| Show InChI InChI=1S/C24H23Cl2N3O2/c1-28(14-17-6-3-2-4-7-17)24(30)29-15-20(16-29)31-22(18-9-11-19(25)12-10-18)21-8-5-13-27-23(21)26/h2-13,20,22H,14-16H2,1H3/t22-/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis (R&D) Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]SR141716A from human CB1 receptor |
Bioorg Med Chem Lett 22: 901-6 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.032
BindingDB Entry DOI: 10.7270/Q2D79BVH |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50394065
(CHEMBL2158626)Show SMILES CCN(CC)CCOc1cc(c(Cl)cc1Cl)-c1nc(SC)nc2[nH]cc(C#N)c12 Show InChI InChI=1S/C20H21Cl2N5OS/c1-4-27(5-2)6-7-28-16-8-13(14(21)9-15(16)22)18-17-12(10-23)11-24-19(17)26-20(25-18)29-3/h8-9,11H,4-7H2,1-3H3,(H,24,25,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of fluorescently labeled VER51001 binding to full length human HSP90beta after 30 mins by fluorescence polarization assay |
Bioorg Med Chem 20: 6770-89 (2012)
Article DOI: 10.1016/j.bmc.2012.08.050
BindingDB Entry DOI: 10.7270/Q2KS6SN4 |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50394056
(CHEMBL2158577)Show SMILES COc1cc(Cl)c(cc1O)-c1nc(SCC(=O)NCCF)nc2[nH]cc(C#N)c12 Show InChI InChI=1S/C18H15ClFN5O3S/c1-28-13-5-11(19)10(4-12(13)26)16-15-9(6-21)7-23-17(15)25-18(24-16)29-8-14(27)22-3-2-20/h4-5,7,26H,2-3,8H2,1H3,(H,22,27)(H,23,24,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of fluorescently labeled VER51001 binding to full length human HSP90beta after 30 mins by fluorescence polarization assay |
Bioorg Med Chem 20: 6770-89 (2012)
Article DOI: 10.1016/j.bmc.2012.08.050
BindingDB Entry DOI: 10.7270/Q2KS6SN4 |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50394058
(CHEMBL2158570)Show SMILES CCNC(=O)CSc1nc(-c2cc(OC)c(OC)cc2Cl)c2c(c[nH]c2n1)C#N Show InChI InChI=1S/C19H18ClN5O3S/c1-4-22-15(26)9-29-19-24-17(16-10(7-21)8-23-18(16)25-19)11-5-13(27-2)14(28-3)6-12(11)20/h5-6,8H,4,9H2,1-3H3,(H,22,26)(H,23,24,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of fluorescently labeled VER51001 binding to full length human HSP90beta after 30 mins by fluorescence polarization assay |
Bioorg Med Chem 20: 6770-89 (2012)
Article DOI: 10.1016/j.bmc.2012.08.050
BindingDB Entry DOI: 10.7270/Q2KS6SN4 |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50394059
(CHEMBL2158569)Show SMILES COc1cc(Cl)c(cc1O)-c1nc(SCC(=O)NC(C)C)nc2[nH]cc(C#N)c12 Show InChI InChI=1S/C19H18ClN5O3S/c1-9(2)23-15(27)8-29-19-24-17(16-10(6-21)7-22-18(16)25-19)11-4-13(26)14(28-3)5-12(11)20/h4-5,7,9,26H,8H2,1-3H3,(H,23,27)(H,22,24,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of fluorescently labeled VER51001 binding to full length human HSP90beta after 30 mins by fluorescence polarization assay |
Bioorg Med Chem 20: 6770-89 (2012)
Article DOI: 10.1016/j.bmc.2012.08.050
BindingDB Entry DOI: 10.7270/Q2KS6SN4 |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50394064
(CHEMBL2158627)Show SMILES COc1cc(Cl)c(cc1OCCN1CC[C@H](F)C1)-c1nc(SC)nc2[nH]cc(C#N)c12 |r| Show InChI InChI=1S/C21H21ClFN5O2S/c1-29-16-8-15(22)14(7-17(16)30-6-5-28-4-3-13(23)11-28)19-18-12(9-24)10-25-20(18)27-21(26-19)31-2/h7-8,10,13H,3-6,11H2,1-2H3,(H,25,26,27)/t13-/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 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of fluorescently labeled VER51001 binding to full length human HSP90beta after 30 mins by fluorescence polarization assay |
Bioorg Med Chem 20: 6770-89 (2012)
Article DOI: 10.1016/j.bmc.2012.08.050
BindingDB Entry DOI: 10.7270/Q2KS6SN4 |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50394066
(CHEMBL2158625)Show SMILES CSc1nc(-c2cc(OCCN3CCCC3)c(Cl)cc2Cl)c2c(c[nH]c2n1)C#N Show InChI InChI=1S/C20H19Cl2N5OS/c1-29-20-25-18(17-12(10-23)11-24-19(17)26-20)13-8-16(15(22)9-14(13)21)28-7-6-27-4-2-3-5-27/h8-9,11H,2-7H2,1H3,(H,24,25,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of fluorescently labeled VER51001 binding to full length human HSP90beta after 30 mins by fluorescence polarization assay |
Bioorg Med Chem 20: 6770-89 (2012)
Article DOI: 10.1016/j.bmc.2012.08.050
BindingDB Entry DOI: 10.7270/Q2KS6SN4 |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50394057
(CHEMBL2158576)Show SMILES COc1cc(Cl)c(cc1OC)-c1nc(SCC(=O)NCCF)nc2[nH]cc(C#N)c12 Show InChI InChI=1S/C19H17ClFN5O3S/c1-28-13-5-11(12(20)6-14(13)29-2)17-16-10(7-22)8-24-18(16)26-19(25-17)30-9-15(27)23-4-3-21/h5-6,8H,3-4,9H2,1-2H3,(H,23,27)(H,24,25,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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 |
Vernalis Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of fluorescently labeled VER51001 binding to full length human HSP90beta after 30 mins by fluorescence polarization assay |
Bioorg Med Chem 20: 6770-89 (2012)
Article DOI: 10.1016/j.bmc.2012.08.050
BindingDB Entry DOI: 10.7270/Q2KS6SN4 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50296485
((R)-{3-[(4-Chlorophenyl)-(2-chloropyridin-3-yl)met...)Show SMILES Clc1ccc(cc1)[C@@H](OC1CN(C1)C(=O)N1CCCCC1)c1cccnc1Cl |r| Show InChI InChI=1S/C21H23Cl2N3O2/c22-16-8-6-15(7-9-16)19(18-5-4-10-24-20(18)23)28-17-13-26(14-17)21(27)25-11-2-1-3-12-25/h4-10,17,19H,1-3,11-14H2/t19-/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
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 |
Vernalis (R&D) Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]SR141716A from human CB1 receptor |
Bioorg Med Chem Lett 22: 901-6 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.032
BindingDB Entry DOI: 10.7270/Q2D79BVH |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50394062
(CHEMBL2158630)Show SMILES CCN(CC)CCSc1nc(-c2cc(OC)c(OC)cc2Cl)c2c(c[nH]c2n1)C#N Show InChI InChI=1S/C21H24ClN5O2S/c1-5-27(6-2)7-8-30-21-25-19(18-13(11-23)12-24-20(18)26-21)14-9-16(28-3)17(29-4)10-15(14)22/h9-10,12H,5-8H2,1-4H3,(H,24,25,26) | 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 |
Vernalis Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of fluorescently labeled VER51001 binding to full length human HSP90beta after 30 mins by fluorescence polarization assay |
Bioorg Med Chem 20: 6770-89 (2012)
Article DOI: 10.1016/j.bmc.2012.08.050
BindingDB Entry DOI: 10.7270/Q2KS6SN4 |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50394055
(CHEMBL2158563)Show SMILES CCN(CC)CCOc1cc(c(Cl)cc1Cl)-c1nc(SCC(=O)NC)nc2[nH]cc(C#N)c12 Show InChI InChI=1S/C22H24Cl2N6O2S/c1-4-30(5-2)6-7-32-17-8-14(15(23)9-16(17)24)20-19-13(10-25)11-27-21(19)29-22(28-20)33-12-18(31)26-3/h8-9,11H,4-7,12H2,1-3H3,(H,26,31)(H,27,28,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of fluorescently labeled VER51001 binding to full length human HSP90beta after 30 mins by fluorescence polarization assay |
Bioorg Med Chem 20: 6770-89 (2012)
Article DOI: 10.1016/j.bmc.2012.08.050
BindingDB Entry DOI: 10.7270/Q2KS6SN4 |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50394063
(CHEMBL2158628)Show SMILES COc1cc(Cl)c(cc1OCCN1CCC(F)(F)C1)-c1nc(SC)nc2[nH]cc(C#N)c12 Show InChI InChI=1S/C21H20ClF2N5O2S/c1-30-15-8-14(22)13(7-16(15)31-6-5-29-4-3-21(23,24)11-29)18-17-12(9-25)10-26-19(17)28-20(27-18)32-2/h7-8,10H,3-6,11H2,1-2H3,(H,26,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of fluorescently labeled VER51001 binding to full length human HSP90beta after 30 mins by fluorescence polarization assay |
Bioorg Med Chem 20: 6770-89 (2012)
Article DOI: 10.1016/j.bmc.2012.08.050
BindingDB Entry DOI: 10.7270/Q2KS6SN4 |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50394061
(CHEMBL2158008)Show SMILES CCN(CC)CCOc1nc(-c2cc(OC)c(Cl)cc2Cl)c2c(c[nH]c2n1)C#N Show InChI InChI=1S/C20H21Cl2N5O2/c1-4-27(5-2)6-7-29-20-25-18(17-12(10-23)11-24-19(17)26-20)13-8-16(28-3)15(22)9-14(13)21/h8-9,11H,4-7H2,1-3H3,(H,24,25,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 62 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of fluorescently labeled VER51001 binding to full length human HSP90beta after 30 mins by fluorescence polarization assay |
Bioorg Med Chem 20: 6770-89 (2012)
Article DOI: 10.1016/j.bmc.2012.08.050
BindingDB Entry DOI: 10.7270/Q2KS6SN4 |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50394060
(CHEMBL2158565)Show SMILES COc1cc(Cl)c(cc1OCCN1CCC(F)(F)C1)-c1nc(SC(C)C)nc2[nH]cc(C#N)c12 Show InChI InChI=1S/C23H24ClF2N5O2S/c1-13(2)34-22-29-20(19-14(10-27)11-28-21(19)30-22)15-8-18(17(32-3)9-16(15)24)33-7-6-31-5-4-23(25,26)12-31/h8-9,11,13H,4-7,12H2,1-3H3,(H,28,29,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 172 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of fluorescently labeled VER51001 binding to full length human HSP90beta after 30 mins by fluorescence polarization assay |
Bioorg Med Chem 20: 6770-89 (2012)
Article DOI: 10.1016/j.bmc.2012.08.050
BindingDB Entry DOI: 10.7270/Q2KS6SN4 |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50394079
(CHEMBL2158581)Show InChI InChI=1S/C16H14N4S/c1-9-4-5-12(10(2)6-9)14-13-11(7-17)8-18-15(13)20-16(19-14)21-3/h4-6,8H,1-3H3,(H,18,19,20) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| 195 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of fluorescently labeled VER51001 binding to full length human HSP90beta after 30 mins by fluorescence polarization assay |
Bioorg Med Chem 20: 6770-89 (2012)
Article DOI: 10.1016/j.bmc.2012.08.050
BindingDB Entry DOI: 10.7270/Q2KS6SN4 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50394077
(CHEMBL2158583)Show InChI InChI=1S/C15H9N5S/c1-21-15-19-13(10-4-2-9(6-16)3-5-10)12-11(7-17)8-18-14(12)20-15/h2-5,8H,1H3,(H,18,19,20) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 204 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of fluorescently labeled VER51001 binding to full length human HSP90beta after 30 mins by fluorescence polarization assay |
Bioorg Med Chem 20: 6770-89 (2012)
Article DOI: 10.1016/j.bmc.2012.08.050
BindingDB Entry DOI: 10.7270/Q2KS6SN4 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50364235
(CHEMBL1952280)Show SMILES CN(Cc1ccccc1)C(=O)N1CC(C1)O[C@@H](c1ccc(Cl)cc1)c1cccnc1Cl |r| Show InChI InChI=1S/C24H23Cl2N3O2/c1-28(14-17-6-3-2-4-7-17)24(30)29-15-20(16-29)31-22(18-9-11-19(25)12-10-18)21-8-5-13-27-23(21)26/h2-13,20,22H,14-16H2,1H3/t22-/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 249 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis (R&D) Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]SR141716A from human CB1 receptor |
Bioorg Med Chem Lett 22: 901-6 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.032
BindingDB Entry DOI: 10.7270/Q2D79BVH |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50394078
(CHEMBL2158582)Show InChI InChI=1S/C15H11FN4S/c1-8-5-10(16)3-4-11(8)13-12-9(6-17)7-18-14(12)20-15(19-13)21-2/h3-5,7H,1-2H3,(H,18,19,20) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 358 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of fluorescently labeled VER51001 binding to full length human HSP90beta after 30 mins by fluorescence polarization assay |
Bioorg Med Chem 20: 6770-89 (2012)
Article DOI: 10.1016/j.bmc.2012.08.050
BindingDB Entry DOI: 10.7270/Q2KS6SN4 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50364234
(CHEMBL1952279)Show SMILES CN(Cc1ccccc1)C(=O)N1CC(C1)O[C@H](c1ccc(Cl)cc1)c1cccnc1Cl |r| Show InChI InChI=1S/C24H23Cl2N3O2/c1-28(14-17-6-3-2-4-7-17)24(30)29-15-20(16-29)31-22(18-9-11-19(25)12-10-18)21-8-5-13-27-23(21)26/h2-13,20,22H,14-16H2,1H3/t22-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 490 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis (R&D) Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from human CB2 receptor |
Bioorg Med Chem Lett 22: 901-6 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.032
BindingDB Entry DOI: 10.7270/Q2D79BVH |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50394069
(CHEMBL2158622)Show InChI InChI=1S/C15H11FN4O/c1-8-5-10(16)3-4-11(8)13-12-9(6-17)7-18-14(12)20-15(19-13)21-2/h3-5,7H,1-2H3,(H,18,19,20) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 628 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of fluorescently labeled VER51001 binding to full length human HSP90beta after 30 mins by fluorescence polarization assay |
Bioorg Med Chem 20: 6770-89 (2012)
Article DOI: 10.1016/j.bmc.2012.08.050
BindingDB Entry DOI: 10.7270/Q2KS6SN4 |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50394085
(CHEMBL2158635)Show InChI InChI=1S/C13H11ClN4S/c1-7-5-8(14)3-4-9(7)10-11-12(16-6-15-11)18-13(17-10)19-2/h3-6H,1-2H3,(H,15,16,17,18) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 661 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of fluorescently labeled VER51001 binding to full length human HSP90beta after 30 mins by fluorescence polarization assay |
Bioorg Med Chem 20: 6770-89 (2012)
Article DOI: 10.1016/j.bmc.2012.08.050
BindingDB Entry DOI: 10.7270/Q2KS6SN4 |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50394067
(CHEMBL2158624)Show InChI InChI=1S/C16H13FN4/c1-3-13-20-15(12-5-4-11(17)6-9(12)2)14-10(7-18)8-19-16(14)21-13/h4-6,8H,3H2,1-2H3,(H,19,20,21) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 1.72E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of fluorescently labeled VER51001 binding to full length human HSP90beta after 30 mins by fluorescence polarization assay |
Bioorg Med Chem 20: 6770-89 (2012)
Article DOI: 10.1016/j.bmc.2012.08.050
BindingDB Entry DOI: 10.7270/Q2KS6SN4 |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50394073
(CHEMBL2158618)Show SMILES CSc1nc(-c2ccc(C)cc2C)c2c(c[nH]c2n1)C(F)(F)F Show InChI InChI=1S/C16H14F3N3S/c1-8-4-5-10(9(2)6-8)13-12-11(16(17,18)19)7-20-14(12)22-15(21-13)23-3/h4-7H,1-3H3,(H,20,21,22) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.64E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of fluorescently labeled VER51001 binding to full length human HSP90beta after 30 mins by fluorescence polarization assay |
Bioorg Med Chem 20: 6770-89 (2012)
Article DOI: 10.1016/j.bmc.2012.08.050
BindingDB Entry DOI: 10.7270/Q2KS6SN4 |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50394070
(CHEMBL2158621)Show InChI InChI=1S/C15H12N4/c1-9-3-4-12(10(2)5-9)14-13-11(6-16)7-17-15(13)19-8-18-14/h3-5,7-8H,1-2H3,(H,17,18,19) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 2.83E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of fluorescently labeled VER51001 binding to full length human HSP90beta after 30 mins by fluorescence polarization assay |
Bioorg Med Chem 20: 6770-89 (2012)
Article DOI: 10.1016/j.bmc.2012.08.050
BindingDB Entry DOI: 10.7270/Q2KS6SN4 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50364235
(CHEMBL1952280)Show SMILES CN(Cc1ccccc1)C(=O)N1CC(C1)O[C@@H](c1ccc(Cl)cc1)c1cccnc1Cl |r| Show InChI InChI=1S/C24H23Cl2N3O2/c1-28(14-17-6-3-2-4-7-17)24(30)29-15-20(16-29)31-22(18-9-11-19(25)12-10-18)21-8-5-13-27-23(21)26/h2-13,20,22H,14-16H2,1H3/t22-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.02E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis (R&D) Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from human CB2 receptor |
Bioorg Med Chem Lett 22: 901-6 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.032
BindingDB Entry DOI: 10.7270/Q2D79BVH |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50394068
(CHEMBL2158623)Show InChI InChI=1S/C15H12FN5/c1-8-5-10(16)3-4-11(8)13-12-9(6-17)7-19-14(12)21-15(18-2)20-13/h3-5,7H,1-2H3,(H2,18,19,20,21) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 4.07E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of fluorescently labeled VER51001 binding to full length human HSP90beta after 30 mins by fluorescence polarization assay |
Bioorg Med Chem 20: 6770-89 (2012)
Article DOI: 10.1016/j.bmc.2012.08.050
BindingDB Entry DOI: 10.7270/Q2KS6SN4 |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50394076
(CHEMBL2158584)Show InChI InChI=1S/C15H13N5S/c1-8-4-5-10(9(2)6-8)13-12-11(7-16)19-20-14(12)18-15(17-13)21-3/h4-6H,1-3H3,(H,17,18,19,20) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 5.23E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of fluorescently labeled VER51001 binding to full length human HSP90beta after 30 mins by fluorescence polarization assay |
Bioorg Med Chem 20: 6770-89 (2012)
Article DOI: 10.1016/j.bmc.2012.08.050
BindingDB Entry DOI: 10.7270/Q2KS6SN4 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50296485
((R)-{3-[(4-Chlorophenyl)-(2-chloropyridin-3-yl)met...)Show SMILES Clc1ccc(cc1)[C@@H](OC1CN(C1)C(=O)N1CCCCC1)c1cccnc1Cl |r| Show InChI InChI=1S/C21H23Cl2N3O2/c22-16-8-6-15(7-9-16)19(18-5-4-10-24-20(18)23)28-17-13-26(14-17)21(27)25-11-2-1-3-12-25/h4-10,17,19H,1-3,11-14H2/t19-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.09E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis (R&D) Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from human CB2 receptor |
Bioorg Med Chem Lett 22: 901-6 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.032
BindingDB Entry DOI: 10.7270/Q2D79BVH |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50394084
(CHEMBL2158631)Show InChI InChI=1S/C13H11FN4S/c1-7-5-8(14)3-4-9(7)10-11-12(16-6-15-11)18-13(17-10)19-2/h3-6H,1-2H3,(H,15,16,17,18) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.28E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of fluorescently labeled VER51001 binding to full length human HSP90beta after 30 mins by fluorescence polarization assay |
Bioorg Med Chem 20: 6770-89 (2012)
Article DOI: 10.1016/j.bmc.2012.08.050
BindingDB Entry DOI: 10.7270/Q2KS6SN4 |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50394083
(CHEMBL2158632)Show InChI InChI=1S/C13H9N5S/c1-19-13-17-10(11-12(18-13)16-7-15-11)9-4-2-8(6-14)3-5-9/h2-5,7H,1H3,(H,15,16,17,18) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.45E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of fluorescently labeled VER51001 binding to full length human HSP90beta after 30 mins by fluorescence polarization assay |
Bioorg Med Chem 20: 6770-89 (2012)
Article DOI: 10.1016/j.bmc.2012.08.050
BindingDB Entry DOI: 10.7270/Q2KS6SN4 |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50394072
(CHEMBL2158619)Show InChI InChI=1S/C18H19N3S/c1-10-4-7-13(11(2)8-10)16-15-14(12-5-6-12)9-19-17(15)21-18(20-16)22-3/h4,7-9,12H,5-6H2,1-3H3,(H,19,20,21) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of fluorescently labeled VER51001 binding to full length human HSP90beta after 30 mins by fluorescence polarization assay |
Bioorg Med Chem 20: 6770-89 (2012)
Article DOI: 10.1016/j.bmc.2012.08.050
BindingDB Entry DOI: 10.7270/Q2KS6SN4 |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50394081
(CHEMBL2158634)Show InChI InChI=1S/C14H12FN3S/c1-8-7-9(15)3-4-10(8)12-11-5-6-16-13(11)18-14(17-12)19-2/h3-7H,1-2H3,(H,16,17,18) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >2.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of fluorescently labeled VER51001 binding to full length human HSP90beta after 30 mins by fluorescence polarization assay |
Bioorg Med Chem 20: 6770-89 (2012)
Article DOI: 10.1016/j.bmc.2012.08.050
BindingDB Entry DOI: 10.7270/Q2KS6SN4 |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50394082
(CHEMBL2158633)Show InChI InChI=1S/C15H15N3S/c1-9-4-5-11(10(2)8-9)13-12-6-7-16-14(12)18-15(17-13)19-3/h4-8H,1-3H3,(H,16,17,18) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >2.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of fluorescently labeled VER51001 binding to full length human HSP90beta after 30 mins by fluorescence polarization assay |
Bioorg Med Chem 20: 6770-89 (2012)
Article DOI: 10.1016/j.bmc.2012.08.050
BindingDB Entry DOI: 10.7270/Q2KS6SN4 |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50394074
(CHEMBL2158617)Show InChI InChI=1S/C16H17N3S/c1-9-5-6-12(10(2)7-9)14-13-11(3)8-17-15(13)19-16(18-14)20-4/h5-8H,1-4H3,(H,17,18,19) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >2.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of fluorescently labeled VER51001 binding to full length human HSP90beta after 30 mins by fluorescence polarization assay |
Bioorg Med Chem 20: 6770-89 (2012)
Article DOI: 10.1016/j.bmc.2012.08.050
BindingDB Entry DOI: 10.7270/Q2KS6SN4 |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50394075
(CHEMBL2158585)Show InChI InChI=1S/C15H14BrN3S/c1-8-4-5-10(9(2)6-8)13-12-11(16)7-17-14(12)19-15(18-13)20-3/h4-7H,1-3H3,(H,17,18,19) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >2.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of fluorescently labeled VER51001 binding to full length human HSP90beta after 30 mins by fluorescence polarization assay |
Bioorg Med Chem 20: 6770-89 (2012)
Article DOI: 10.1016/j.bmc.2012.08.050
BindingDB Entry DOI: 10.7270/Q2KS6SN4 |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50394071
(CHEMBL2158620)Show InChI InChI=1S/C15H13FN4OS/c1-7-5-8(16)3-4-9(7)12-11-10(13(17)21)6-18-14(11)20-15(19-12)22-2/h3-6H,1-2H3,(H2,17,21)(H,18,19,20) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| >2.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of fluorescently labeled VER51001 binding to full length human HSP90beta after 30 mins by fluorescence polarization assay |
Bioorg Med Chem 20: 6770-89 (2012)
Article DOI: 10.1016/j.bmc.2012.08.050
BindingDB Entry DOI: 10.7270/Q2KS6SN4 |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50394080
(CHEMBL2158580)Show InChI InChI=1S/C14H10N4S/c1-19-14-17-12(11-6-7-16-13(11)18-14)10-4-2-9(8-15)3-5-10/h2-7H,1H3,(H,16,17,18) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >2.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of fluorescently labeled VER51001 binding to full length human HSP90beta after 30 mins by fluorescence polarization assay |
Bioorg Med Chem 20: 6770-89 (2012)
Article DOI: 10.1016/j.bmc.2012.08.050
BindingDB Entry DOI: 10.7270/Q2KS6SN4 |
More data for this
Ligand-Target Pair | |
Fatty-acid amide hydrolase 1 [30-579]
(Rattus norvegicus (rat)) | BDBM50364235
(CHEMBL1952280)Show SMILES CN(Cc1ccccc1)C(=O)N1CC(C1)O[C@@H](c1ccc(Cl)cc1)c1cccnc1Cl |r| Show InChI InChI=1S/C24H23Cl2N3O2/c1-28(14-17-6-3-2-4-7-17)24(30)29-15-20(16-29)31-22(18-9-11-19(25)12-10-18)21-8-5-13-27-23(21)26/h2-13,20,22H,14-16H2,1H3/t22-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 94 | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis (R&D) Ltd
Curated by ChEMBL
| Assay Description
Inhibition of rat FAAH using 7-amino-4-methylcoumarine amide as substrate preincubated for 1 hr by fluorimetry |
Bioorg Med Chem Lett 22: 901-6 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.032
BindingDB Entry DOI: 10.7270/Q2D79BVH |
More data for this
Ligand-Target Pair | |
Fatty-acid amide hydrolase 1 [30-579]
(Rattus norvegicus (rat)) | BDBM50296484
((S)-{3-[(4-Chlorophenyl)-(2-chloropyridin-3-yl)met...)Show SMILES Clc1ccc(cc1)[C@H](OC1CN(C1)C(=O)N1CCCCC1)c1cccnc1Cl |r| Show InChI InChI=1S/C21H23Cl2N3O2/c22-16-8-6-15(7-9-16)19(18-5-4-10-24-20(18)23)28-17-13-26(14-17)21(27)25-11-2-1-3-12-25/h4-10,17,19H,1-3,11-14H2/t19-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 112 | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis (R&D) Ltd
Curated by ChEMBL
| Assay Description
Inhibition of rat FAAH using 7-amino-4-methylcoumarine amide as substrate preincubated for 1 hr by fluorimetry |
Bioorg Med Chem Lett 22: 901-6 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.032
BindingDB Entry DOI: 10.7270/Q2D79BVH |
More data for this
Ligand-Target Pair | |
Fatty-acid amide hydrolase 1 [30-579]
(Rattus norvegicus (rat)) | BDBM50364259
(CHEMBL1952091)Show SMILES CC1CCN(CC1)C(=O)N1CC(C1)OC(c1ccc(Cl)cc1)c1cccnc1Cl Show InChI InChI=1S/C22H25Cl2N3O2/c1-15-8-11-26(12-9-15)22(28)27-13-18(14-27)29-20(16-4-6-17(23)7-5-16)19-3-2-10-25-21(19)24/h2-7,10,15,18,20H,8-9,11-14H2,1H3 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 126 | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis (R&D) Ltd
Curated by ChEMBL
| Assay Description
Inhibition of rat FAAH using 7-amino-4-methylcoumarine amide as substrate preincubated for 1 hr by fluorimetry |
Bioorg Med Chem Lett 22: 901-6 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.032
BindingDB Entry DOI: 10.7270/Q2D79BVH |
More data for this
Ligand-Target Pair | |
Fatty-acid amide hydrolase 1 [30-579]
(Rattus norvegicus (rat)) | BDBM50364258
(CHEMBL1952090)Show SMILES CC1CCCN(C1)C(=O)N1CC(C1)OC(c1ccc(Cl)cc1)c1cccnc1Cl Show InChI InChI=1S/C22H25Cl2N3O2/c1-15-4-3-11-26(12-15)22(28)27-13-18(14-27)29-20(16-6-8-17(23)9-7-16)19-5-2-10-25-21(19)24/h2,5-10,15,18,20H,3-4,11-14H2,1H3 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 161 | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis (R&D) Ltd
Curated by ChEMBL
| Assay Description
Inhibition of rat FAAH using 7-amino-4-methylcoumarine amide as substrate preincubated for 1 hr by fluorimetry |
Bioorg Med Chem Lett 22: 901-6 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.032
BindingDB Entry DOI: 10.7270/Q2D79BVH |
More data for this
Ligand-Target Pair | |
Fatty-acid amide hydrolase 1 [30-579]
(Rattus norvegicus (rat)) | BDBM50364261
(CHEMBL1952093)Show SMILES Clc1ccc(cc1)C(OC1CN(C1)C(=O)N1CCC(Cc2ccccc2)CC1)c1cccnc1Cl Show InChI InChI=1S/C28H29Cl2N3O2/c29-23-10-8-22(9-11-23)26(25-7-4-14-31-27(25)30)35-24-18-33(19-24)28(34)32-15-12-21(13-16-32)17-20-5-2-1-3-6-20/h1-11,14,21,24,26H,12-13,15-19H2 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 237 | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis (R&D) Ltd
Curated by ChEMBL
| Assay Description
Inhibition of rat FAAH using 7-amino-4-methylcoumarine amide as substrate preincubated for 1 hr by fluorimetry |
Bioorg Med Chem Lett 22: 901-6 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.032
BindingDB Entry DOI: 10.7270/Q2D79BVH |
More data for this
Ligand-Target Pair | |
Fatty-acid amide hydrolase 1 [30-579]
(Rattus norvegicus (rat)) | BDBM50364234
(CHEMBL1952279)Show SMILES CN(Cc1ccccc1)C(=O)N1CC(C1)O[C@H](c1ccc(Cl)cc1)c1cccnc1Cl |r| Show InChI InChI=1S/C24H23Cl2N3O2/c1-28(14-17-6-3-2-4-7-17)24(30)29-15-20(16-29)31-22(18-9-11-19(25)12-10-18)21-8-5-13-27-23(21)26/h2-13,20,22H,14-16H2,1H3/t22-/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 242 | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis (R&D) Ltd
Curated by ChEMBL
| Assay Description
Inhibition of rat FAAH using 7-amino-4-methylcoumarine amide as substrate preincubated for 1 hr by fluorimetry |
Bioorg Med Chem Lett 22: 901-6 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.032
BindingDB Entry DOI: 10.7270/Q2D79BVH |
More data for this
Ligand-Target Pair | |
Fatty-acid amide hydrolase 1 [30-579]
(Rattus norvegicus (rat)) | BDBM50364262
(CHEMBL1952094)Show SMILES Clc1ccc(cc1)C(OC1CN(C1)C(=O)N1CCN(Cc2ccccc2)CC1)c1cccnc1Cl Show InChI InChI=1S/C27H28Cl2N4O2/c28-22-10-8-21(9-11-22)25(24-7-4-12-30-26(24)29)35-23-18-33(19-23)27(34)32-15-13-31(14-16-32)17-20-5-2-1-3-6-20/h1-12,23,25H,13-19H2 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 370 | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis (R&D) Ltd
Curated by ChEMBL
| Assay Description
Inhibition of rat FAAH using 7-amino-4-methylcoumarine amide as substrate preincubated for 1 hr by fluorimetry |
Bioorg Med Chem Lett 22: 901-6 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.032
BindingDB Entry DOI: 10.7270/Q2D79BVH |
More data for this
Ligand-Target Pair | |
Fatty-acid amide hydrolase 1 [30-579]
(Rattus norvegicus (rat)) | BDBM50364240
(CHEMBL1952072)Show SMILES Clc1cccc(c1)C(OC1CN(C1)C(=O)N1CCCCC1)c1cccnc1Cl Show InChI InChI=1S/C21H23Cl2N3O2/c22-16-7-4-6-15(12-16)19(18-8-5-9-24-20(18)23)28-17-13-26(14-17)21(27)25-10-2-1-3-11-25/h4-9,12,17,19H,1-3,10-11,13-14H2 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 375 | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis (R&D) Ltd
Curated by ChEMBL
| Assay Description
Inhibition of rat FAAH using 7-amino-4-methylcoumarine amide as substrate preincubated for 1 hr by fluorimetry |
Bioorg Med Chem Lett 22: 901-6 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.032
BindingDB Entry DOI: 10.7270/Q2D79BVH |
More data for this
Ligand-Target Pair | |
Fatty-acid amide hydrolase 1 [30-579]
(Rattus norvegicus (rat)) | BDBM50364268
(CHEMBL1952265)Show SMILES FC1CCN(CC1)C(=O)N1CC(C1)OC(c1ccc(Cl)cc1)c1cccnc1Cl Show InChI InChI=1S/C21H22Cl2FN3O2/c22-15-5-3-14(4-6-15)19(18-2-1-9-25-20(18)23)29-17-12-27(13-17)21(28)26-10-7-16(24)8-11-26/h1-6,9,16-17,19H,7-8,10-13H2 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 388 | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis (R&D) Ltd
Curated by ChEMBL
| Assay Description
Inhibition of rat FAAH using 7-amino-4-methylcoumarine amide as substrate preincubated for 1 hr by fluorimetry |
Bioorg Med Chem Lett 22: 901-6 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.032
BindingDB Entry DOI: 10.7270/Q2D79BVH |
More data for this
Ligand-Target Pair | |
Fatty-acid amide hydrolase 1 [30-579]
(Rattus norvegicus (rat)) | BDBM50364245
(CHEMBL1952077)Show SMILES Clc1ncccc1C(OC1CN(C1)C(=O)N1CCCCC1)c1ccc2OCOc2c1 Show InChI InChI=1S/C22H24ClN3O4/c23-21-17(5-4-8-24-21)20(15-6-7-18-19(11-15)29-14-28-18)30-16-12-26(13-16)22(27)25-9-2-1-3-10-25/h4-8,11,16,20H,1-3,9-10,12-14H2 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 413 | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis (R&D) Ltd
Curated by ChEMBL
| Assay Description
Inhibition of rat FAAH using 7-amino-4-methylcoumarine amide as substrate preincubated for 1 hr by fluorimetry |
Bioorg Med Chem Lett 22: 901-6 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.032
BindingDB Entry DOI: 10.7270/Q2D79BVH |
More data for this
Ligand-Target Pair | |
Fatty-acid amide hydrolase 1
(Homo sapiens (Human)) | BDBM50364259
(CHEMBL1952091)Show SMILES CC1CCN(CC1)C(=O)N1CC(C1)OC(c1ccc(Cl)cc1)c1cccnc1Cl Show InChI InChI=1S/C22H25Cl2N3O2/c1-15-8-11-26(12-9-15)22(28)27-13-18(14-27)29-20(16-4-6-17(23)7-5-16)19-3-2-10-25-21(19)24/h2-7,10,15,18,20H,8-9,11-14H2,1H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 423 | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis (R&D) Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human FAAH expressed in CHO cells using 7-amino-4-methylcoumarine amide as substrate preincubated for 1 hr by fluorimetry |
Bioorg Med Chem Lett 22: 901-6 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.032
BindingDB Entry DOI: 10.7270/Q2D79BVH |
More data for this
Ligand-Target Pair | |
Fatty-acid amide hydrolase 1 [30-579]
(Rattus norvegicus (rat)) | BDBM50296484
((S)-{3-[(4-Chlorophenyl)-(2-chloropyridin-3-yl)met...)Show SMILES Clc1ccc(cc1)[C@H](OC1CN(C1)C(=O)N1CCCCC1)c1cccnc1Cl |r| Show InChI InChI=1S/C21H23Cl2N3O2/c22-16-8-6-15(7-9-16)19(18-5-4-10-24-20(18)23)28-17-13-26(14-17)21(27)25-11-2-1-3-12-25/h4-10,17,19H,1-3,11-14H2/t19-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 447 | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis (R&D) Ltd
Curated by ChEMBL
| Assay Description
Inhibition of rat FAAH using 7-amino-4-methylcoumarine amide as substrate preincubated for 1 hr by fluorimetry |
Bioorg Med Chem Lett 22: 901-6 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.032
BindingDB Entry DOI: 10.7270/Q2D79BVH |
More data for this
Ligand-Target Pair | |
Fatty-acid amide hydrolase 1 [30-579]
(Rattus norvegicus (rat)) | BDBM50364238
(CHEMBL1952070)Show SMILES Fc1ccc(cc1)C(OC1CN(C1)C(=O)N1CCCCC1)c1cccnc1Cl Show InChI InChI=1S/C21H23ClFN3O2/c22-20-18(5-4-10-24-20)19(15-6-8-16(23)9-7-15)28-17-13-26(14-17)21(27)25-11-2-1-3-12-25/h4-10,17,19H,1-3,11-14H2 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 464 | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis (R&D) Ltd
Curated by ChEMBL
| Assay Description
Inhibition of rat FAAH using 7-amino-4-methylcoumarine amide as substrate preincubated for 1 hr by fluorimetry |
Bioorg Med Chem Lett 22: 901-6 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.032
BindingDB Entry DOI: 10.7270/Q2D79BVH |
More data for this
Ligand-Target Pair | |
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