Found 296 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kcal/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Sodium channel protein type 7 subunit alpha
(Homo sapiens (Human)) | BDBM250773
(US9452986, 77)Show InChI InChI=1S/C20H20N4O2/c1-23-10-12-24(13-11-23)20(25)18-7-5-15-14-16(6-8-17(15)22-18)26-19-4-2-3-9-21-19/h2-9,14H,10-13H2,1H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2022.116743
BindingDB Entry DOI: 10.7270/Q2BP06V9 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50600356
(CHEMBL5180334)Show SMILES FC(F)(F)c1ccc(Oc2ccc3nc(OCC(=O)N4CCCCC4)ccc3c2)nc1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2022.116743
BindingDB Entry DOI: 10.7270/Q2BP06V9 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM250747
(US9452986, 51)Show SMILES F[C@H]1CCN(C1)C(=O)c1ccc2cc(Oc3ccc(cn3)C(F)(F)F)ccc2n1 Show InChI InChI=1S/C20H15F4N3O2/c21-14-7-8-27(11-14)19(28)17-4-1-12-9-15(3-5-16(12)26-17)29-18-6-2-13(10-25-18)20(22,23)24/h1-6,9-10,14H,7-8,11H2/t14-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.29E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2022.116743
BindingDB Entry DOI: 10.7270/Q2BP06V9 |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 5 subunit alpha
(Homo sapiens (Human)) | BDBM344752
(1-[1-(2-fluorophenyl)-1H-indazol-4-yl]-3-{2-[(3S)-...)Show SMILES F[C@H]1CCCN(C1)C(=O)CN1CCN(C1=O)c1cccc2n(ncc12)-c1ccccc1F Show InChI InChI=1S/C23H23F2N5O2/c24-16-5-4-10-27(14-16)22(31)15-28-11-12-29(23(28)32)19-8-3-9-20-17(19)13-26-30(20)21-7-2-1-6-18(21)25/h1-3,6-9,13,16H,4-5,10-12,14-15H2/t16-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie
Curated by ChEMBL
| Assay Description
Inhibition of human Nav1.5 expressed in HEK293 cells by whole cell-patch clamp method |
J Med Chem 59: 3373-91 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00063
BindingDB Entry DOI: 10.7270/Q2C250GW |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM250703
(US9452986, 7)Show SMILES CC(=O)c1ccc(Oc2ccc3nc(ccc3c2)C(=O)N2CCNCC2)cc1 Show InChI InChI=1S/C22H21N3O3/c1-15(26)16-2-5-18(6-3-16)28-19-7-9-20-17(14-19)4-8-21(24-20)22(27)25-12-10-23-11-13-25/h2-9,14,23H,10-13H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.36E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2022.116743
BindingDB Entry DOI: 10.7270/Q2BP06V9 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM250725
(US9452986, 29)Show SMILES CS(=O)(=O)C1CN(C1)C(=O)c1ccc2cc(Oc3ccc(cn3)C(F)(F)F)ccc2n1 Show InChI InChI=1S/C20H16F3N3O4S/c1-31(28,29)15-10-26(11-15)19(27)17-5-2-12-8-14(4-6-16(12)25-17)30-18-7-3-13(9-24-18)20(21,22)23/h2-9,15H,10-11H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.36E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2022.116743
BindingDB Entry DOI: 10.7270/Q2BP06V9 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM250748
(US9452986, 52)Show SMILES F[C@@H]1CCN(C1)C(=O)c1ccc2cc(Oc3ccc(cn3)C(F)(F)F)ccc2n1 Show InChI InChI=1S/C20H15F4N3O2/c21-14-7-8-27(11-14)19(28)17-4-1-12-9-15(3-5-16(12)26-17)29-18-6-2-13(10-25-18)20(22,23)24/h1-6,9-10,14H,7-8,11H2/t14-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.55E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2022.116743
BindingDB Entry DOI: 10.7270/Q2BP06V9 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM251293
(US9452986, 597)Show SMILES FC(F)(F)c1ccc(Oc2ccc3nc(ccc3c2)C(=O)N2CCC2)nc1 Show InChI InChI=1S/C19H14F3N3O2/c20-19(21,22)13-3-7-17(23-11-13)27-14-4-6-15-12(10-14)2-5-16(24-15)18(26)25-8-1-9-25/h2-7,10-11H,1,8-9H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.64E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2022.116743
BindingDB Entry DOI: 10.7270/Q2BP06V9 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM250710
(US9452986, 14)Show SMILES FC(F)c1ccc(Oc2ccc3nc(ccc3c2)C(=O)N2CCNCC2)nc1 Show InChI InChI=1S/C20H18F2N4O2/c21-19(22)14-2-6-18(24-12-14)28-15-3-5-16-13(11-15)1-4-17(25-16)20(27)26-9-7-23-8-10-26/h1-6,11-12,19,23H,7-10H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.95E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2022.116743
BindingDB Entry DOI: 10.7270/Q2BP06V9 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM250706
(US9452986, 10)Show SMILES FC(F)(F)c1ccc(Oc2ccc3nc(ccc3c2)C(=O)N2CCCC2)nc1 Show InChI InChI=1S/C20H16F3N3O2/c21-20(22,23)14-4-8-18(24-12-14)28-15-5-7-16-13(11-15)3-6-17(25-16)19(27)26-9-1-2-10-26/h3-8,11-12H,1-2,9-10H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2022.116743
BindingDB Entry DOI: 10.7270/Q2BP06V9 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM251204
(US9452986, 508)Show SMILES FC(F)(F)c1ccc(Oc2ccc3nc(ccc3c2)C(=O)N2CC(F)(F)C2)nc1 Show InChI InChI=1S/C19H12F5N3O2/c20-18(21)9-27(10-18)17(28)15-4-1-11-7-13(3-5-14(11)26-15)29-16-6-2-12(8-25-16)19(22,23)24/h1-8H,9-10H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2022.116743
BindingDB Entry DOI: 10.7270/Q2BP06V9 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM250947
(US9452986, 251)Show SMILES CS(=O)(=O)CCNC(=O)c1ccc2cc(Oc3ccc(cn3)C(F)(F)F)ccc2n1 Show InChI InChI=1S/C19H16F3N3O4S/c1-30(27,28)9-8-23-18(26)16-5-2-12-10-14(4-6-15(12)25-16)29-17-7-3-13(11-24-17)19(20,21)22/h2-7,10-11H,8-9H2,1H3,(H,23,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2022.116743
BindingDB Entry DOI: 10.7270/Q2BP06V9 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM250755
(US9452986, 59)Show SMILES FC(F)(F)c1ccc(Oc2ccc3nc(ccc3c2)C(=O)NC2CC(F)(F)C2)nc1 Show InChI InChI=1S/C20H14F5N3O2/c21-19(22)8-13(9-19)27-18(29)16-4-1-11-7-14(3-5-15(11)28-16)30-17-6-2-12(10-26-17)20(23,24)25/h1-7,10,13H,8-9H2,(H,27,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2022.116743
BindingDB Entry DOI: 10.7270/Q2BP06V9 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM251300
(US9452986, 604)Show SMILES FC1CC(C1)NC(=O)c1ccc2cc(Oc3ccc(cn3)C(F)(F)F)ccc2n1 |(11.22,-4.94,;9.89,-4.17,;9.49,-2.68,;8,-3.08,;8.4,-4.57,;6.67,-2.31,;5.33,-3.08,;5.33,-4.62,;4,-2.31,;4,-.77,;2.67,,;1.33,-.77,;;-1.33,-.77,;-2.67,,;-4,-.77,;-4,-2.31,;-5.33,-3.08,;-6.67,-2.31,;-6.67,-.77,;-5.33,,;-8,-3.08,;-9.34,-3.85,;-7.23,-4.41,;-8.77,-1.75,;-1.33,-2.31,;,-3.08,;1.33,-2.31,;2.67,-3.08,)| Show InChI InChI=1S/C20H15F4N3O2/c21-13-8-14(9-13)26-19(28)17-4-1-11-7-15(3-5-16(11)27-17)29-18-6-2-12(10-25-18)20(22,23)24/h1-7,10,13-14H,8-9H2,(H,26,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2022.116743
BindingDB Entry DOI: 10.7270/Q2BP06V9 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM251292
(US9452986, 596)Show SMILES FC(F)(F)c1ccc(Oc2ccc3nc(ccc3c2)C(=O)NC2CCC2)nc1 Show InChI InChI=1S/C20H16F3N3O2/c21-20(22,23)13-5-9-18(24-11-13)28-15-6-8-16-12(10-15)4-7-17(26-16)19(27)25-14-2-1-3-14/h4-11,14H,1-3H2,(H,25,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2022.116743
BindingDB Entry DOI: 10.7270/Q2BP06V9 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM250716
(US9452986, 20)Show SMILES FC(F)(F)C1CN(CCN1)C(=O)c1ccc2cc(Oc3ccc(cn3)C(F)(F)F)ccc2n1 Show InChI InChI=1S/C21H16F6N4O2/c22-20(23,24)13-2-6-18(29-10-13)33-14-3-5-15-12(9-14)1-4-16(30-15)19(32)31-8-7-28-17(11-31)21(25,26)27/h1-6,9-10,17,28H,7-8,11H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2022.116743
BindingDB Entry DOI: 10.7270/Q2BP06V9 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM251226
(US9452986, 530)Show SMILES FC(F)(F)c1ccc(Oc2ccc3nc(ccc3c2)C(=O)N[C@@H]2CCOC2=O)nc1 Show InChI InChI=1S/C20H14F3N3O4/c21-20(22,23)12-2-6-17(24-10-12)30-13-3-5-14-11(9-13)1-4-15(25-14)18(27)26-16-7-8-29-19(16)28/h1-6,9-10,16H,7-8H2,(H,26,27)/t16-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2022.116743
BindingDB Entry DOI: 10.7270/Q2BP06V9 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50600359
(CHEMBL5203589)Show SMILES FC(F)(F)c1ccc(Oc2ccc3nc(OCC(=O)N4CCNC(=O)C4)ccc3c2)nc1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2022.116743
BindingDB Entry DOI: 10.7270/Q2BP06V9 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50600355
(CHEMBL5174656) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2022.116743
BindingDB Entry DOI: 10.7270/Q2BP06V9 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50600354
(CHEMBL5195306)Show SMILES O=C(COc1ccc2cc(Oc3ccccn3)ccc2n1)N1CCNC(=O)C1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2022.116743
BindingDB Entry DOI: 10.7270/Q2BP06V9 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50600353
(CHEMBL5186480)Show SMILES CN1CCN(CC1)C(=O)COc1ccc2cc(Oc3ccccn3)ccc2n1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2022.116743
BindingDB Entry DOI: 10.7270/Q2BP06V9 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50600352
(CHEMBL5179783) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2022.116743
BindingDB Entry DOI: 10.7270/Q2BP06V9 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50600351
(CHEMBL5197085) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2022.116743
BindingDB Entry DOI: 10.7270/Q2BP06V9 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50600350
(CHEMBL5186539)Show SMILES NC(=O)CNC(=O)COc1ccc2cc(Oc3ccc(cc3)C#N)ccc2n1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2022.116743
BindingDB Entry DOI: 10.7270/Q2BP06V9 |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 5 subunit alpha
(Homo sapiens (Human)) | BDBM251292
(US9452986, 596)Show SMILES FC(F)(F)c1ccc(Oc2ccc3nc(ccc3c2)C(=O)NC2CCC2)nc1 Show InChI InChI=1S/C20H16F3N3O2/c21-20(22,23)13-5-9-18(24-11-13)28-15-6-8-16-12(10-15)4-7-17(26-16)19(27)25-14-2-1-3-14/h4-11,14H,1-3H2,(H,25,27) | PDB
KEGG
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| PC cid
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UniChem
| Article
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| n/a | n/a | 3.13E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2022.116743
BindingDB Entry DOI: 10.7270/Q2BP06V9 |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 5 subunit alpha
(Homo sapiens (Human)) | BDBM250716
(US9452986, 20)Show SMILES FC(F)(F)C1CN(CCN1)C(=O)c1ccc2cc(Oc3ccc(cn3)C(F)(F)F)ccc2n1 Show InChI InChI=1S/C21H16F6N4O2/c22-20(23,24)13-2-6-18(29-10-13)33-14-3-5-15-12(9-14)1-4-16(30-15)19(32)31-8-7-28-17(11-31)21(25,26)27/h1-6,9-10,17,28H,7-8,11H2 | PDB
KEGG
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antibodypedia
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2022.116743
BindingDB Entry DOI: 10.7270/Q2BP06V9 |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 5 subunit alpha
(Homo sapiens (Human)) | BDBM250706
(US9452986, 10)Show SMILES FC(F)(F)c1ccc(Oc2ccc3nc(ccc3c2)C(=O)N2CCCC2)nc1 Show InChI InChI=1S/C20H16F3N3O2/c21-20(22,23)14-4-8-18(24-12-14)28-15-5-7-16-13(11-15)3-6-17(25-16)19(27)26-9-1-2-10-26/h3-8,11-12H,1-2,9-10H2 | PDB
KEGG
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B.MOAD
DrugBank
antibodypedia
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2022.116743
BindingDB Entry DOI: 10.7270/Q2BP06V9 |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 5 subunit alpha
(Homo sapiens (Human)) | BDBM250747
(US9452986, 51)Show SMILES F[C@H]1CCN(C1)C(=O)c1ccc2cc(Oc3ccc(cn3)C(F)(F)F)ccc2n1 Show InChI InChI=1S/C20H15F4N3O2/c21-14-7-8-27(11-14)19(28)17-4-1-12-9-15(3-5-16(12)26-17)29-18-6-2-13(10-25-18)20(22,23)24/h1-6,9-10,14H,7-8,11H2/t14-/m0/s1 | PDB
KEGG
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antibodypedia
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2022.116743
BindingDB Entry DOI: 10.7270/Q2BP06V9 |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 5 subunit alpha
(Homo sapiens (Human)) | BDBM250748
(US9452986, 52)Show SMILES F[C@@H]1CCN(C1)C(=O)c1ccc2cc(Oc3ccc(cn3)C(F)(F)F)ccc2n1 Show InChI InChI=1S/C20H15F4N3O2/c21-14-7-8-27(11-14)19(28)17-4-1-12-9-15(3-5-16(12)26-17)29-18-6-2-13(10-25-18)20(22,23)24/h1-6,9-10,14H,7-8,11H2/t14-/m1/s1 | PDB
KEGG
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| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2022.116743
BindingDB Entry DOI: 10.7270/Q2BP06V9 |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 5 subunit alpha
(Homo sapiens (Human)) | BDBM344740
(1-[1-(2-fluorophenyl)-1H-indazol-4-yl]-3-[(6-methy...)Show SMILES Cc1cncc(CN2CCN(C2=O)c2cccc3n(ncc23)-c2ccccc2F)n1 Show InChI InChI=1S/C22H19FN6O/c1-15-11-24-12-16(26-15)14-27-9-10-28(22(27)30)19-7-4-8-20-17(19)13-25-29(20)21-6-3-2-5-18(21)23/h2-8,11-13H,9-10,14H2,1H3 | PDB
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| PC cid
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UniChem
| Article
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| n/a | n/a | >3.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie
Curated by ChEMBL
| Assay Description
Inhibition of human Nav1.5 expressed in HEK293 cells by whole cell-patch clamp method |
J Med Chem 59: 3373-91 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00063
BindingDB Entry DOI: 10.7270/Q2C250GW |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 5 subunit alpha
(Homo sapiens (Human)) | BDBM50500958
(CHEMBL3798320)Show SMILES [H][C@@]12CN(C[C@]1([H])C(=O)N(C2)c1cccc2n(ncc12)-c1ccccc1F)C(=O)CC(C)(C)O |r| Show InChI InChI=1S/C24H25FN4O3/c1-24(2,32)10-22(30)27-12-15-13-28(23(31)17(15)14-27)19-8-5-9-20-16(19)11-26-29(20)21-7-4-3-6-18(21)25/h3-9,11,15,17,32H,10,12-14H2,1-2H3/t15-,17-/m0/s1 | PDB
KEGG
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >3.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie
Curated by ChEMBL
| Assay Description
Inhibition of human Nav1.5 expressed in HEK293 cells by whole cell-patch clamp method |
J Med Chem 59: 3373-91 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00063
BindingDB Entry DOI: 10.7270/Q2C250GW |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 5 subunit alpha
(Homo sapiens (Human)) | BDBM344708
(1-[1-(2-fluorophenyl)-1H-indazol-4-yl]-3-{2-[(3S)-...)Show SMILES F[C@H]1CCN(C1)C(=O)CN1CCN(C1=O)c1cccc2n(ncc12)-c1ccccc1F Show InChI InChI=1S/C22H21F2N5O2/c23-15-8-9-26(13-15)21(30)14-27-10-11-28(22(27)31)18-6-3-7-19-16(18)12-25-29(19)20-5-2-1-4-17(20)24/h1-7,12,15H,8-11,13-14H2/t15-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >3.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie
Curated by ChEMBL
| Assay Description
Inhibition of human Nav1.5 expressed in HEK293 cells by whole cell-patch clamp method |
J Med Chem 59: 3373-91 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00063
BindingDB Entry DOI: 10.7270/Q2C250GW |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 5 subunit alpha
(Homo sapiens (Human)) | BDBM250698
(US9452986, 1)Show SMILES FC(F)(F)c1ccc(Oc2ccc3nc(ccc3c2)C(=O)N2CCNCC2)nc1 Show InChI InChI=1S/C20H17F3N4O2/c21-20(22,23)14-2-6-18(25-12-14)29-15-3-5-16-13(11-15)1-4-17(26-16)19(28)27-9-7-24-8-10-27/h1-6,11-12,24H,7-10H2 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
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antibodypedia
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2022.116743
BindingDB Entry DOI: 10.7270/Q2BP06V9 |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 5 subunit alpha
(Homo sapiens (Human)) | BDBM344698
(1-[1-(2-fluorophenyl)-1H-indazol-4-yl]-3-[2-oxo-2-...)Show SMILES Fc1ccccc1-n1ncc2c(cccc12)N1CCN(CC(=O)N2CCCC2)C1=O Show InChI InChI=1S/C22H22FN5O2/c23-17-6-1-2-7-20(17)28-19-9-5-8-18(16(19)14-24-28)27-13-12-26(22(27)30)15-21(29)25-10-3-4-11-25/h1-2,5-9,14H,3-4,10-13,15H2 | PDB
KEGG
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >3.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie
Curated by ChEMBL
| Assay Description
Inhibition of human Nav1.5 expressed in HEK293 cells by whole cell-patch clamp method |
J Med Chem 59: 3373-91 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00063
BindingDB Entry DOI: 10.7270/Q2C250GW |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 5 subunit alpha
(Homo sapiens (Human)) | BDBM344711
(N-cyclopropyl-2-{3-[1-(2-fluorophenyl)-1H-indazol-...)Show SMILES Fc1ccccc1-n1ncc2c(cccc12)N1CCN(CC(=O)NC2CC2)C1=O Show InChI InChI=1S/C21H20FN5O2/c22-16-4-1-2-5-19(16)27-18-7-3-6-17(15(18)12-23-27)26-11-10-25(21(26)29)13-20(28)24-14-8-9-14/h1-7,12,14H,8-11,13H2,(H,24,28) | PDB
KEGG
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >3.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie
Curated by ChEMBL
| Assay Description
Inhibition of human Nav1.5 expressed in HEK293 cells by whole cell-patch clamp method |
J Med Chem 59: 3373-91 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00063
BindingDB Entry DOI: 10.7270/Q2C250GW |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 5 subunit alpha
(Homo sapiens (Human)) | BDBM250710
(US9452986, 14)Show SMILES FC(F)c1ccc(Oc2ccc3nc(ccc3c2)C(=O)N2CCNCC2)nc1 Show InChI InChI=1S/C20H18F2N4O2/c21-19(22)14-2-6-18(24-12-14)28-15-3-5-16-13(11-15)1-4-17(25-16)20(27)26-9-7-23-8-10-26/h1-6,11-12,19,23H,7-10H2 | PDB
KEGG
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| PC cid
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UniChem
| Article
PubMed
| n/a | n/a | 3.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2022.116743
BindingDB Entry DOI: 10.7270/Q2BP06V9 |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 5 subunit alpha
(Homo sapiens (Human)) | BDBM50600353
(CHEMBL5186480)Show SMILES CN1CCN(CC1)C(=O)COc1ccc2cc(Oc3ccccn3)ccc2n1 | PDB
KEGG
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| PC cid
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UniChem
| Article
PubMed
| n/a | n/a | 3.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2022.116743
BindingDB Entry DOI: 10.7270/Q2BP06V9 |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 5 subunit alpha
(Homo sapiens (Human)) | BDBM250755
(US9452986, 59)Show SMILES FC(F)(F)c1ccc(Oc2ccc3nc(ccc3c2)C(=O)NC2CC(F)(F)C2)nc1 Show InChI InChI=1S/C20H14F5N3O2/c21-19(22)8-13(9-19)27-18(29)16-4-1-11-7-14(3-5-15(11)28-16)30-17-6-2-12(10-26-17)20(23,24)25/h1-7,10,13H,8-9H2,(H,27,29) | PDB
KEGG
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2022.116743
BindingDB Entry DOI: 10.7270/Q2BP06V9 |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 5 subunit alpha
(Homo sapiens (Human)) | BDBM251300
(US9452986, 604)Show SMILES FC1CC(C1)NC(=O)c1ccc2cc(Oc3ccc(cn3)C(F)(F)F)ccc2n1 |(11.22,-4.94,;9.89,-4.17,;9.49,-2.68,;8,-3.08,;8.4,-4.57,;6.67,-2.31,;5.33,-3.08,;5.33,-4.62,;4,-2.31,;4,-.77,;2.67,,;1.33,-.77,;;-1.33,-.77,;-2.67,,;-4,-.77,;-4,-2.31,;-5.33,-3.08,;-6.67,-2.31,;-6.67,-.77,;-5.33,,;-8,-3.08,;-9.34,-3.85,;-7.23,-4.41,;-8.77,-1.75,;-1.33,-2.31,;,-3.08,;1.33,-2.31,;2.67,-3.08,)| Show InChI InChI=1S/C20H15F4N3O2/c21-13-8-14(9-13)26-19(28)17-4-1-11-7-15(3-5-16(11)27-17)29-18-6-2-12(10-25-18)20(22,23)24/h1-7,10,13-14H,8-9H2,(H,26,28) | PDB
KEGG
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2022.116743
BindingDB Entry DOI: 10.7270/Q2BP06V9 |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 5 subunit alpha
(Homo sapiens (Human)) | BDBM250730
(US9452986, 34)Show SMILES O[C@H]1C[C@H](C1)NC(=O)c1ccc2cc(Oc3ccc(cn3)C(F)(F)F)ccc2n1 |wU:1.0,3.5,(11.12,-1.96,;9.78,-1.19,;8.3,-1.59,;7.9,-.1,;9.38,.3,;6.56,.67,;5.23,-.1,;5.23,-1.64,;3.9,.67,;3.9,2.21,;2.56,2.98,;1.23,2.21,;-.11,2.98,;-1.44,2.21,;-2.77,2.98,;-4.11,2.21,;-4.11,.67,;-5.44,-.1,;-6.77,.67,;-6.77,2.21,;-5.44,2.98,;-8.11,-.1,;-9.44,-.87,;-7.34,-1.43,;-8.88,1.23,;-1.44,.67,;-.11,-.1,;1.23,.67,;2.56,-.1,)| Show InChI InChI=1S/C20H16F3N3O3/c21-20(22,23)12-2-6-18(24-10-12)29-15-3-5-16-11(7-15)1-4-17(26-16)19(28)25-13-8-14(27)9-13/h1-7,10,13-14,27H,8-9H2,(H,25,28)/t13-,14+ | PDB
KEGG
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2022.116743
BindingDB Entry DOI: 10.7270/Q2BP06V9 |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 5 subunit alpha
(Homo sapiens (Human)) | BDBM251226
(US9452986, 530)Show SMILES FC(F)(F)c1ccc(Oc2ccc3nc(ccc3c2)C(=O)N[C@@H]2CCOC2=O)nc1 Show InChI InChI=1S/C20H14F3N3O4/c21-20(22,23)12-2-6-17(24-10-12)30-13-3-5-14-11(9-13)1-4-15(25-14)18(27)26-16-7-8-29-19(16)28/h1-6,9-10,16H,7-8H2,(H,26,27)/t16-/m1/s1 | PDB
KEGG
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B.MOAD
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antibodypedia
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2022.116743
BindingDB Entry DOI: 10.7270/Q2BP06V9 |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 5 subunit alpha
(Homo sapiens (Human)) | BDBM250845
(US9452986, 149)Show SMILES FC(F)(F)c1ccc(Oc2ccc3nc(ccc3c2)C(=O)NC2CCOC2)nc1 Show InChI InChI=1S/C20H16F3N3O3/c21-20(22,23)13-2-6-18(24-10-13)29-15-3-5-16-12(9-15)1-4-17(26-16)19(27)25-14-7-8-28-11-14/h1-6,9-10,14H,7-8,11H2,(H,25,27) | PDB
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2022.116743
BindingDB Entry DOI: 10.7270/Q2BP06V9 |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 5 subunit alpha
(Homo sapiens (Human)) | BDBM250877
(US9452986, 181)Show SMILES FC(F)(F)CN1CCN(CC1)C(=O)c1ccc2cc(Oc3ccc(cn3)C(F)(F)F)ccc2n1 Show InChI InChI=1S/C22H18F6N4O2/c23-21(24,25)13-31-7-9-32(10-8-31)20(33)18-4-1-14-11-16(3-5-17(14)30-18)34-19-6-2-15(12-29-19)22(26,27)28/h1-6,11-12H,7-10,13H2 | PDB
KEGG
UniProtKB/SwissProt
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antibodypedia
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AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2022.116743
BindingDB Entry DOI: 10.7270/Q2BP06V9 |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 5 subunit alpha
(Homo sapiens (Human)) | BDBM250947
(US9452986, 251)Show SMILES CS(=O)(=O)CCNC(=O)c1ccc2cc(Oc3ccc(cn3)C(F)(F)F)ccc2n1 Show InChI InChI=1S/C19H16F3N3O4S/c1-30(27,28)9-8-23-18(26)16-5-2-12-10-14(4-6-15(12)25-16)29-17-7-3-13(11-24-17)19(20,21)22/h2-7,10-11H,8-9H2,1H3,(H,23,26) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2022.116743
BindingDB Entry DOI: 10.7270/Q2BP06V9 |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 5 subunit alpha
(Homo sapiens (Human)) | BDBM251293
(US9452986, 597)Show SMILES FC(F)(F)c1ccc(Oc2ccc3nc(ccc3c2)C(=O)N2CCC2)nc1 Show InChI InChI=1S/C19H14F3N3O2/c20-19(21,22)13-3-7-17(23-11-13)27-14-4-6-15-12(10-14)2-5-16(24-15)18(26)25-8-1-9-25/h2-7,10-11H,1,8-9H2 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2022.116743
BindingDB Entry DOI: 10.7270/Q2BP06V9 |
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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