Found 4 hits with Last Name = 'shebley' 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 |
|---|
Transient receptor potential cation channel subfamily V member 3
(Homo sapiens (Human)) | BDBM50187697
(CHEMBL3828278)Show SMILES O[C@H](c1ccccn1)C1(CCC1)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C16H15Cl2NO/c17-12-6-5-11(10-13(12)18)16(7-3-8-16)15(20)14-4-1-2-9-19-14/h1-2,4-6,9-10,15,20H,3,7-8H2/t15-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 160 | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPV3 expressed in recombinant HEK293 cells assessed as inhibition of 2-APB induced calcium flux by FLIPR analysis |
J Med Chem 59: 4926-47 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00287
BindingDB Entry DOI: 10.7270/Q2765H90 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 3
(Homo sapiens (Human)) | BDBM50187699
(CHEMBL3828340)Show SMILES C[C@@]1(O)C[C@](C1)([C@H](O)c1ccccn1)c1cc(ccn1)C(F)(F)F |r,wD:6.7,4.15,1.1,(.2,-3.5,;-.86,-4.12,;-.86,-5.35,;-2.35,-4.52,;-2.66,-3.08,;-1.26,-2.64,;-2.67,-1.54,;-3.73,-.93,;-1.33,-.77,;-1.33,.77,;,1.54,;1.33,.77,;1.33,-.77,;,-1.54,;-4,-3.86,;-4,-5.4,;-5.33,-6.17,;-6.66,-5.4,;-6.67,-3.86,;-5.33,-3.09,;-5.32,-7.71,;-4.26,-8.32,;-6.39,-8.33,;-5.32,-8.94,)| Show InChI InChI=1S/C17H17F3N2O2/c1-15(24)9-16(10-15,14(23)12-4-2-3-6-21-12)13-8-11(5-7-22-13)17(18,19)20/h2-8,14,23-24H,9-10H2,1H3/t14-,15-,16-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 380 | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPV3 expressed in recombinant HEK293 cells assessed as inhibition of 2-APB induced currents by patch-clamp electrophysi... |
J Med Chem 59: 4926-47 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00287
BindingDB Entry DOI: 10.7270/Q2765H90 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 3
(Homo sapiens (Human)) | BDBM50187699
(CHEMBL3828340)Show SMILES C[C@@]1(O)C[C@](C1)([C@H](O)c1ccccn1)c1cc(ccn1)C(F)(F)F |r,wD:6.7,4.15,1.1,(.2,-3.5,;-.86,-4.12,;-.86,-5.35,;-2.35,-4.52,;-2.66,-3.08,;-1.26,-2.64,;-2.67,-1.54,;-3.73,-.93,;-1.33,-.77,;-1.33,.77,;,1.54,;1.33,.77,;1.33,-.77,;,-1.54,;-4,-3.86,;-4,-5.4,;-5.33,-6.17,;-6.66,-5.4,;-6.67,-3.86,;-5.33,-3.09,;-5.32,-7.71,;-4.26,-8.32,;-6.39,-8.33,;-5.32,-8.94,)| Show InChI InChI=1S/C17H17F3N2O2/c1-15(24)9-16(10-15,14(23)12-4-2-3-6-21-12)13-8-11(5-7-22-13)17(18,19)20/h2-8,14,23-24H,9-10H2,1H3/t14-,15-,16-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 930 | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPV3 expressed in recombinant HEK293 cells assessed as inhibition of 2-APB induced calcium flux by FLIPR analysis |
J Med Chem 59: 4926-47 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00287
BindingDB Entry DOI: 10.7270/Q2765H90 |
More data for this
Ligand-Target Pair | |
Nuclear receptor subfamily 1 group I member 2
(Homo sapiens (Human)) | BDBM50187698
(CHEMBL3827928)Show SMILES O[C@H](c1ccccn1)C1(CC(F)(F)C1)c1ccc(OC(F)(F)F)cc1 |r| Show InChI InChI=1S/C17H14F5NO2/c18-16(19)9-15(10-16,14(24)13-3-1-2-8-23-13)11-4-6-12(7-5-11)25-17(20,21)22/h1-8,14,24H,9-10H2/t14-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 5.70E+3 | n/a | n/a | n/a | n/a |
AbbVie Inc.
Curated by ChEMBL
| Assay Description
Activation of human PXR |
J Med Chem 59: 4926-47 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00287
BindingDB Entry DOI: 10.7270/Q2765H90 |
More data for this
Ligand-Target Pair | |
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