Found 32 hits with Last Name = 'de munck' and Initial = 't' 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 |
|---|
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50246760
(CHEMBL4075348)Show SMILES CC1(C)Cc2c(sc(NC(=O)c3ccn[nH]3)c2C(N)=O)C(C)(C)O1 Show InChI InChI=1S/C16H20N4O3S/c1-15(2)7-8-10(12(17)21)14(24-11(8)16(3,4)23-15)19-13(22)9-5-6-18-20-9/h5-6H,7H2,1-4H3,(H2,17,21)(H,18,20)(H,19,22) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| Purchase
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a |
Galapagos NV
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 (unknown origin) |
J Med Chem 61: 1425-1435 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01288
BindingDB Entry DOI: 10.7270/Q2Z03BK6 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50566257
(CHEMBL4785210)Show SMILES C[C@H](O)CNC(=O)c1ncc(cc1N)S(=O)(=O)c1ccc(OC(F)(F)F)cc1 |r| | 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 | n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human ERG by manual patch clamp assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01796
BindingDB Entry DOI: 10.7270/Q2HQ43P7 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50246760
(CHEMBL4075348)Show SMILES CC1(C)Cc2c(sc(NC(=O)c3ccn[nH]3)c2C(N)=O)C(C)(C)O1 Show InChI InChI=1S/C16H20N4O3S/c1-15(2)7-8-10(12(17)21)14(24-11(8)16(3,4)23-15)19-13(22)9-5-6-18-20-9/h5-6H,7H2,1-4H3,(H2,17,21)(H,18,20)(H,19,22) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a |
Galapagos NV
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 (unknown origin) |
J Med Chem 61: 1425-1435 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01288
BindingDB Entry DOI: 10.7270/Q2Z03BK6 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50246760
(CHEMBL4075348)Show SMILES CC1(C)Cc2c(sc(NC(=O)c3ccn[nH]3)c2C(N)=O)C(C)(C)O1 Show InChI InChI=1S/C16H20N4O3S/c1-15(2)7-8-10(12(17)21)14(24-11(8)16(3,4)23-15)19-13(22)9-5-6-18-20-9/h5-6H,7H2,1-4H3,(H2,17,21)(H,18,20)(H,19,22) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | >3.30E+4 | n/a | n/a | n/a | n/a |
Galapagos NV
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by manual patch clamp method |
J Med Chem 61: 1425-1435 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01288
BindingDB Entry DOI: 10.7270/Q2Z03BK6 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50246760
(CHEMBL4075348)Show SMILES CC1(C)Cc2c(sc(NC(=O)c3ccn[nH]3)c2C(N)=O)C(C)(C)O1 Show InChI InChI=1S/C16H20N4O3S/c1-15(2)7-8-10(12(17)21)14(24-11(8)16(3,4)23-15)19-13(22)9-5-6-18-20-9/h5-6H,7H2,1-4H3,(H2,17,21)(H,18,20)(H,19,22) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a |
Galapagos NV
Curated by ChEMBL
| Assay Description
Inhibition of CYP1A2 (unknown origin) |
J Med Chem 61: 1425-1435 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01288
BindingDB Entry DOI: 10.7270/Q2Z03BK6 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50246760
(CHEMBL4075348)Show SMILES CC1(C)Cc2c(sc(NC(=O)c3ccn[nH]3)c2C(N)=O)C(C)(C)O1 Show InChI InChI=1S/C16H20N4O3S/c1-15(2)7-8-10(12(17)21)14(24-11(8)16(3,4)23-15)19-13(22)9-5-6-18-20-9/h5-6H,7H2,1-4H3,(H2,17,21)(H,18,20)(H,19,22) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a |
Galapagos NV
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 (unknown origin) |
J Med Chem 61: 1425-1435 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01288
BindingDB Entry DOI: 10.7270/Q2Z03BK6 |
More data for this
Ligand-Target Pair | |
Cystic fibrosis transmembrane conductance regulator
(Homo sapiens (Human)) | BDBM50185114
(2-(2-chlorobenzamido)-4,5,6,7-tetrahydrobenzo[b]th...)Show InChI InChI=1S/C16H15ClN2O2S/c17-11-7-3-1-5-9(11)15(21)19-16-13(14(18)20)10-6-2-4-8-12(10)22-16/h1,3,5,7H,2,4,6,8H2,(H2,18,20)(H,19,21) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 326 | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Potentiation of CFTR F508del mutant (unknown origin) expressed in human CFBE41o- cells co-expressing YFP incubated for 10 mins by halide potentiator ... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01796
BindingDB Entry DOI: 10.7270/Q2HQ43P7 |
More data for this
Ligand-Target Pair | |
Cystic fibrosis transmembrane conductance regulator
(Homo sapiens (Human)) | BDBM50566248
(CHEMBL4790007)Show SMILES CN(Cc1ccccc1)S(=O)(=O)c1cc(C(N)=O)c(NC(=O)c2ccn[nH]2)s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 17 | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Potentiation of CFTR F508del mutant (unknown origin) expressed in human CFBE41o- cells co-expressing YFP incubated for 10 mins by halide potentiator ... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01796
BindingDB Entry DOI: 10.7270/Q2HQ43P7 |
More data for this
Ligand-Target Pair | |
Cystic fibrosis transmembrane conductance regulator
(Homo sapiens (Human)) | BDBM50566249
(CHEMBL4795314)Show SMILES NC(=O)c1cc(sc1NC(=O)c1ccn[nH]1)S(=O)(=O)N1CCCCC1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 13 | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Potentiation of CFTR F508del mutant (unknown origin) expressed in human CFBE41o- cells co-expressing YFP incubated for 10 mins by halide potentiator ... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01796
BindingDB Entry DOI: 10.7270/Q2HQ43P7 |
More data for this
Ligand-Target Pair | |
Cystic fibrosis transmembrane conductance regulator
(Homo sapiens (Human)) | BDBM50566250
(CHEMBL4784536)Show SMILES NC(=O)c1cc(sc1NC(=O)c1ccn[nH]1)S(=O)(=O)c1ccc(F)cc1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 29 | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Potentiation of CFTR F508del mutant (unknown origin) expressed in human CFBE41o- cells co-expressing YFP incubated for 10 mins by halide potentiator ... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01796
BindingDB Entry DOI: 10.7270/Q2HQ43P7 |
More data for this
Ligand-Target Pair | |
Cystic fibrosis transmembrane conductance regulator
(Homo sapiens (Human)) | BDBM50566251
(CHEMBL4776744)Show SMILES CC(C)(C)C(=O)Nc1sc(cc1C(N)=O)S(=O)(=O)c1ccc(F)cc1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 352 | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Potentiation of CFTR F508del mutant (unknown origin) expressed in human CFBE41o- cells co-expressing YFP incubated for 10 mins by halide potentiator ... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01796
BindingDB Entry DOI: 10.7270/Q2HQ43P7 |
More data for this
Ligand-Target Pair | |
Cystic fibrosis transmembrane conductance regulator
(Homo sapiens (Human)) | BDBM50566252
(CHEMBL4777140)Show SMILES NC(=O)c1cc(sc1NC(=O)C1(O)CC1)S(=O)(=O)c1ccc(F)cc1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 79 | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Potentiation of CFTR F508del mutant (unknown origin) expressed in human CFBE41o- cells co-expressing YFP incubated for 10 mins by halide potentiator ... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01796
BindingDB Entry DOI: 10.7270/Q2HQ43P7 |
More data for this
Ligand-Target Pair | |
Cystic fibrosis transmembrane conductance regulator
(Homo sapiens (Human)) | BDBM50566253
(CHEMBL4782437)Show SMILES CC(C)(O)C(=O)Nc1sc(cc1C(N)=O)S(=O)(=O)c1ccc(F)cc1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 26 | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Potentiation of CFTR F508del mutant (unknown origin) expressed in human CFBE41o- cells co-expressing YFP incubated for 10 mins by halide potentiator ... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01796
BindingDB Entry DOI: 10.7270/Q2HQ43P7 |
More data for this
Ligand-Target Pair | |
Cystic fibrosis transmembrane conductance regulator
(Homo sapiens (Human)) | BDBM50566254
(CHEMBL4781656)Show SMILES COc1ccc(cc1)S(=O)(=O)c1cc(C(N)=O)c(NC(=O)C(C)(C)O)s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 20 | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Potentiation of CFTR F508del mutant (unknown origin) expressed in human CFBE41o- cells co-expressing YFP incubated for 10 mins by halide potentiator ... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01796
BindingDB Entry DOI: 10.7270/Q2HQ43P7 |
More data for this
Ligand-Target Pair | |
Cystic fibrosis transmembrane conductance regulator
(Homo sapiens (Human)) | BDBM50566255
(CHEMBL4793801)Show SMILES CC(C)(O)CNC(=O)c1ncc(cc1N)S(=O)(=O)c1ccc(OC(F)(F)F)cc1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 33 | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Potentiation of CFTR F508del mutant (unknown origin) expressed in human CFBE41o- cells co-expressing YFP incubated for 10 mins by halide potentiator ... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01796
BindingDB Entry DOI: 10.7270/Q2HQ43P7 |
More data for this
Ligand-Target Pair | |
Cystic fibrosis transmembrane conductance regulator
(Homo sapiens (Human)) | BDBM50566256
(CHEMBL4798183)Show SMILES Nc1cc(cnc1C(=O)NC[C@@H](O)C(F)(F)F)S(=O)(=O)c1ccc(OC(F)(F)F)cc1 |r| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 3.40 | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Potentiation of CFTR F508del mutant (unknown origin) expressed in human CFBE41o- cells co-expressing YFP incubated for 10 mins by halide potentiator ... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01796
BindingDB Entry DOI: 10.7270/Q2HQ43P7 |
More data for this
Ligand-Target Pair | |
Cystic fibrosis transmembrane conductance regulator
(Homo sapiens (Human)) | BDBM50566257
(CHEMBL4785210)Show SMILES C[C@H](O)CNC(=O)c1ncc(cc1N)S(=O)(=O)c1ccc(OC(F)(F)F)cc1 |r| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 11 | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Potentiation of CFTR F508del mutant (unknown origin) expressed in human CFBE41o- cells co-expressing YFP incubated for 10 mins by halide potentiator ... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01796
BindingDB Entry DOI: 10.7270/Q2HQ43P7 |
More data for this
Ligand-Target Pair | |
Cystic fibrosis transmembrane conductance regulator
(Homo sapiens (Human)) | BDBM50566258
(CHEMBL4787310)Show SMILES Nc1cc(cnc1C(=O)NCC1(O)CC1)S(=O)(=O)c1ccc(OC(F)(F)F)cc1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 2.80 | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Potentiation of CFTR F508del mutant (unknown origin) expressed in human CFBE41o- cells co-expressing YFP incubated for 10 mins by halide potentiator ... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01796
BindingDB Entry DOI: 10.7270/Q2HQ43P7 |
More data for this
Ligand-Target Pair | |
Cystic fibrosis transmembrane conductance regulator
(Homo sapiens (Human)) | BDBM50566259
(CHEMBL4795705)Show SMILES Nc1cc(cnc1C(=O)NC[C@@H](O)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1 |r| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 7.80 | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Potentiation of CFTR F508del mutant (unknown origin) expressed in human CFBE41o- cells co-expressing YFP incubated for 10 mins by halide potentiator ... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01796
BindingDB Entry DOI: 10.7270/Q2HQ43P7 |
More data for this
Ligand-Target Pair | |
Cystic fibrosis transmembrane conductance regulator
(Homo sapiens (Human)) | BDBM50566260
(CHEMBL4787733)Show SMILES CN(C[C@@H](O)C(F)(F)F)C(=O)c1ncc(cc1N)S(=O)(=O)c1ccc(F)cc1 |r| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | >2.00E+3 | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Potentiation of CFTR F508del mutant (unknown origin) expressed in human CFBE41o- cells co-expressing YFP incubated for 10 mins by halide potentiator ... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01796
BindingDB Entry DOI: 10.7270/Q2HQ43P7 |
More data for this
Ligand-Target Pair | |
Cystic fibrosis transmembrane conductance regulator
(Homo sapiens (Human)) | BDBM50566261
(CHEMBL4789045)Show SMILES Nc1cc(cnc1C(=O)N1CCC[C@H]1CO)S(=O)(=O)c1ccc(cc1)C(F)(F)F |r| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | >2.00E+3 | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Potentiation of CFTR F508del mutant (unknown origin) expressed in human CFBE41o- cells co-expressing YFP incubated for 10 mins by halide potentiator ... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01796
BindingDB Entry DOI: 10.7270/Q2HQ43P7 |
More data for this
Ligand-Target Pair | |
Cystic fibrosis transmembrane conductance regulator
(Homo sapiens (Human)) | BDBM50566262
(CHEMBL4799994)Show SMILES Nc1cc(cnc1C(=O)N1CC(O)(C1)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.10 | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Potentiation of CFTR F508del mutant (unknown origin) expressed in human CFBE41o- cells co-expressing YFP incubated for 10 mins by halide potentiator ... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01796
BindingDB Entry DOI: 10.7270/Q2HQ43P7 |
More data for this
Ligand-Target Pair | |
Cystic fibrosis transmembrane conductance regulator
(Homo sapiens (Human)) | BDBM50566263
(CHEMBL4776653)Show SMILES Nc1cc(cnc1C(=O)NC[C@@H](O)C(F)(F)F)S(=O)(=O)c1ccccc1OC(F)(F)F |r| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | <0.310 | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Potentiation of CFTR F508del mutant (unknown origin) expressed in human CFBE41o- cells co-expressing YFP incubated for 10 mins by halide potentiator ... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01796
BindingDB Entry DOI: 10.7270/Q2HQ43P7 |
More data for this
Ligand-Target Pair | |
Cystic fibrosis transmembrane conductance regulator
(Homo sapiens (Human)) | BDBM50566264
(CHEMBL4781857)Show SMILES Nc1cc(cnc1C(=O)NCC(O)C(F)(F)F)S(=O)(=O)N1CCC(CC1)OC(F)(F)F | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 5 | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Potentiation of CFTR F508del mutant (unknown origin) expressed in human CFBE41o- cells co-expressing YFP incubated for 10 mins by halide potentiator ... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01796
BindingDB Entry DOI: 10.7270/Q2HQ43P7 |
More data for this
Ligand-Target Pair | |
Cystic fibrosis transmembrane conductance regulator
(Homo sapiens (Human)) | BDBM50566254
(CHEMBL4781656)Show SMILES COc1ccc(cc1)S(=O)(=O)c1cc(C(N)=O)c(NC(=O)C(C)(C)O)s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 478 | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Potentiation of CFTR G551D mutant (unknown origin) expressed in human HEK293 cells co-expressing YFP incubated for 10 mins by halide potentiator assa... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01796
BindingDB Entry DOI: 10.7270/Q2HQ43P7 |
More data for this
Ligand-Target Pair | |
Cystic fibrosis transmembrane conductance regulator
(Homo sapiens (Human)) | BDBM50566257
(CHEMBL4785210)Show SMILES C[C@H](O)CNC(=O)c1ncc(cc1N)S(=O)(=O)c1ccc(OC(F)(F)F)cc1 |r| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 18 | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Potentiation of CFTR F508del mutant in human HBE cells by trans-epithelial clamp circuit assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01796
BindingDB Entry DOI: 10.7270/Q2HQ43P7 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50566257
(CHEMBL4785210)Show SMILES C[C@H](O)CNC(=O)c1ncc(cc1N)S(=O)(=O)c1ccc(OC(F)(F)F)cc1 |r| | 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 | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of CYP1A2 (unknown origin) |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01796
BindingDB Entry DOI: 10.7270/Q2HQ43P7 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50566257
(CHEMBL4785210)Show SMILES C[C@H](O)CNC(=O)c1ncc(cc1N)S(=O)(=O)c1ccc(OC(F)(F)F)cc1 |r| | 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 | n/a | n/a | >3.30E+4 | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of CYP2C19 (unknown origin) |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01796
BindingDB Entry DOI: 10.7270/Q2HQ43P7 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50566257
(CHEMBL4785210)Show SMILES C[C@H](O)CNC(=O)c1ncc(cc1N)S(=O)(=O)c1ccc(OC(F)(F)F)cc1 |r| | 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 | n/a | n/a | 2.60E+4 | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of CYP2C9 (unknown origin) |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01796
BindingDB Entry DOI: 10.7270/Q2HQ43P7 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50566257
(CHEMBL4785210)Show SMILES C[C@H](O)CNC(=O)c1ncc(cc1N)S(=O)(=O)c1ccc(OC(F)(F)F)cc1 |r| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of CYP2D6 (unknown origin) |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01796
BindingDB Entry DOI: 10.7270/Q2HQ43P7 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50566257
(CHEMBL4785210)Show SMILES C[C@H](O)CNC(=O)c1ncc(cc1N)S(=O)(=O)c1ccc(OC(F)(F)F)cc1 |r| | 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 | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of CYP3A4 (unknown origin) |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01796
BindingDB Entry DOI: 10.7270/Q2HQ43P7 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50246760
(CHEMBL4075348)Show SMILES CC1(C)Cc2c(sc(NC(=O)c3ccn[nH]3)c2C(N)=O)C(C)(C)O1 Show InChI InChI=1S/C16H20N4O3S/c1-15(2)7-8-10(12(17)21)14(24-11(8)16(3,4)23-15)19-13(22)9-5-6-18-20-9/h5-6H,7H2,1-4H3,(H2,17,21)(H,18,20)(H,19,22) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a |
Galapagos NV
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C19 (unknown origin) |
J Med Chem 61: 1425-1435 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01288
BindingDB Entry DOI: 10.7270/Q2Z03BK6 |
More data for this
Ligand-Target Pair | |
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