Found 131 hits of ic50 for monomerid = 81939 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 |
Translocator protein
(Rattus norvegicus (rat)) | BDBM81939
(CAS_52-53-9 | NSC_62969 | VERAPAMIL)Show SMILES COc1ccc(CCN(C)CCCC(C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC Show InChI InChI=1S/C27H38N2O4/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6/h9-12,17-18,20H,8,13-16H2,1-7H3 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
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DrugBank MCE KEGG PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Siena
Curated by ChEMBL
| Assay Description Ability to inhibit [3H]-PK 11195 binding to peripheral-type benzodiazepine receptor(PBR) in rat cerebral cortex homogenate. |
J Med Chem 39: 2922-38 (1996)
Article DOI: 10.1021/jm960162z BindingDB Entry DOI: 10.7270/Q2HH6KQ5 |
More data for this Ligand-Target Pair | |
ATP-dependent translocase ABCB1
(Homo sapiens (Human)) | BDBM81939
(CAS_52-53-9 | NSC_62969 | VERAPAMIL)Show SMILES COc1ccc(CCN(C)CCCC(C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC Show InChI InChI=1S/C27H38N2O4/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6/h9-12,17-18,20H,8,13-16H2,1-7H3 | PDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
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DrugBank MCE KEGG PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Reversal of P-glycoprotein mediated multidrug resistance in human KBV cells assessed as reversal of resistance to vincristine-induced cytotoxicity by... |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.113107 BindingDB Entry DOI: 10.7270/Q2SX6HZ3 |
More data for this Ligand-Target Pair | |
ATP-dependent translocase ABCB1
(Homo sapiens (Human)) | BDBM81939
(CAS_52-53-9 | NSC_62969 | VERAPAMIL)Show SMILES COc1ccc(CCN(C)CCCC(C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC Show InChI InChI=1S/C27H38N2O4/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6/h9-12,17-18,20H,8,13-16H2,1-7H3 | PDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
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DrugBank MCE KEGG PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 3.90 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of ABCB1 in human HeLa S3 cells assessed as potentiation of vincristine-induced cytotoxicity by measuring vincristine IC50 at 2.5 uM measu... |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112422 BindingDB Entry DOI: 10.7270/Q22Z1974 |
More data for this Ligand-Target Pair | |
ATP-dependent translocase ABCB1
(Homo sapiens (Human)) | BDBM81939
(CAS_52-53-9 | NSC_62969 | VERAPAMIL)Show SMILES COc1ccc(CCN(C)CCCC(C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC Show InChI InChI=1S/C27H38N2O4/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6/h9-12,17-18,20H,8,13-16H2,1-7H3 | PDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
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DrugBank MCE KEGG PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 4.60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Reversal of P-glycoprotein mediated multidrug resistance in human KBV cells assessed as reversal of resistance to vincristine-induced cytotoxicity by... |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.113107 BindingDB Entry DOI: 10.7270/Q2SX6HZ3 |
More data for this Ligand-Target Pair | |
ATP-dependent translocase ABCB1
(Homo sapiens (Human)) | BDBM81939
(CAS_52-53-9 | NSC_62969 | VERAPAMIL)Show SMILES COc1ccc(CCN(C)CCCC(C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC Show InChI InChI=1S/C27H38N2O4/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6/h9-12,17-18,20H,8,13-16H2,1-7H3 | PDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
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DrugBank MCE KEGG PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 4.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Key Laboratory of Molecular Pharmacology and Drug Evaluation (Yantai University)
Curated by ChEMBL
| Assay Description Reversal of P-gp-mediated drug resistance in human KBV cells assessed as potentiation of paclitaxel-induced cytotoxicity by measuring paclitaxel IC50... |
Eur J Med Chem 161: 364-377 (2019)
Article DOI: 10.1016/j.ejmech.2018.10.033 BindingDB Entry DOI: 10.7270/Q2D50R79 |
More data for this Ligand-Target Pair | |
ATP-dependent translocase ABCB1
(Homo sapiens (Human)) | BDBM81939
(CAS_52-53-9 | NSC_62969 | VERAPAMIL)Show SMILES COc1ccc(CCN(C)CCCC(C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC Show InChI InChI=1S/C27H38N2O4/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6/h9-12,17-18,20H,8,13-16H2,1-7H3 | PDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
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DrugBank MCE KEGG PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 5.30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Reversal of P-glycoprotein mediated multidrug resistance in human MCF-7T cells assessed as reversal of resistance to vincristine-induced cytotoxicity... |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.113107 BindingDB Entry DOI: 10.7270/Q2SX6HZ3 |
More data for this Ligand-Target Pair | |
ATP-dependent translocase ABCB1
(Homo sapiens (Human)) | BDBM81939
(CAS_52-53-9 | NSC_62969 | VERAPAMIL)Show SMILES COc1ccc(CCN(C)CCCC(C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC Show InChI InChI=1S/C27H38N2O4/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6/h9-12,17-18,20H,8,13-16H2,1-7H3 | PDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
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DrugBank MCE KEGG PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 6.70 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of ABCB1 in FLp-In-293 cells assessed as potentiation of vincristine-induced cytotoxicity by measuring vincristine IC50 at 2.5 uM measured... |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112422 BindingDB Entry DOI: 10.7270/Q22Z1974 |
More data for this Ligand-Target Pair | |
ATP-dependent translocase ABCB1
(Homo sapiens (Human)) | BDBM81939
(CAS_52-53-9 | NSC_62969 | VERAPAMIL)Show SMILES COc1ccc(CCN(C)CCCC(C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC Show InChI InChI=1S/C27H38N2O4/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6/h9-12,17-18,20H,8,13-16H2,1-7H3 | PDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
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DrugBank MCE KEGG PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 7.10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of ABCB1 in multidrug-resistant human KB-C2 cells assessed as increase in reversal of resistance to paclitaxel-induced cytotoxicity by mea... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01741 BindingDB Entry DOI: 10.7270/Q20K2D5F |
More data for this Ligand-Target Pair | |
ATP-dependent translocase ABCB1
(Homo sapiens (Human)) | BDBM81939
(CAS_52-53-9 | NSC_62969 | VERAPAMIL)Show SMILES COc1ccc(CCN(C)CCCC(C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC Show InChI InChI=1S/C27H38N2O4/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6/h9-12,17-18,20H,8,13-16H2,1-7H3 | PDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
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DrugBank MCE KEGG PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 8.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Reversal of P-glycoprotein mediated multidrug resistance in human MCF-7T cells assessed as reversal of resistance to paclitaxel-induced cytotoxicity ... |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.113107 BindingDB Entry DOI: 10.7270/Q2SX6HZ3 |
More data for this Ligand-Target Pair | |
ATP-dependent translocase ABCB1
(Homo sapiens (Human)) | BDBM81939
(CAS_52-53-9 | NSC_62969 | VERAPAMIL)Show SMILES COc1ccc(CCN(C)CCCC(C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC Show InChI InChI=1S/C27H38N2O4/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6/h9-12,17-18,20H,8,13-16H2,1-7H3 | PDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
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DrugBank MCE KEGG PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 8.60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of ABCB1 in FLp-In-293 cells assessed as potentiation of paclitaxel-induced cytotoxicity by measuring paclitaxel IC50 at 2.5 uM measured a... |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112422 BindingDB Entry DOI: 10.7270/Q22Z1974 |
More data for this Ligand-Target Pair | |
ATP-dependent translocase ABCB1
(Homo sapiens (Human)) | BDBM81939
(CAS_52-53-9 | NSC_62969 | VERAPAMIL)Show SMILES COc1ccc(CCN(C)CCCC(C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC Show InChI InChI=1S/C27H38N2O4/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6/h9-12,17-18,20H,8,13-16H2,1-7H3 | PDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
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DrugBank MCE KEGG PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 8.90 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of ABCB1 in human HeLa S3 cells assessed as potentiation of paclitaxel-induced cytotoxicity by measuring paclitaxel IC50 at 2.5 uM measure... |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112422 BindingDB Entry DOI: 10.7270/Q22Z1974 |
More data for this Ligand-Target Pair | |
ATP-dependent translocase ABCB1
(Homo sapiens (Human)) | BDBM81939
(CAS_52-53-9 | NSC_62969 | VERAPAMIL)Show SMILES COc1ccc(CCN(C)CCCC(C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC Show InChI InChI=1S/C27H38N2O4/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6/h9-12,17-18,20H,8,13-16H2,1-7H3 | PDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
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DrugBank MCE KEGG PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Reversal of P-glycoprotein mediated multidrug resistance in human MCF-7T cells assessed as reversal of resistance to vincristine-induced cytotoxicity... |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.113107 BindingDB Entry DOI: 10.7270/Q2SX6HZ3 |
More data for this Ligand-Target Pair | |
ATP-dependent translocase ABCB1
(Homo sapiens (Human)) | BDBM81939
(CAS_52-53-9 | NSC_62969 | VERAPAMIL)Show SMILES COc1ccc(CCN(C)CCCC(C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC Show InChI InChI=1S/C27H38N2O4/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6/h9-12,17-18,20H,8,13-16H2,1-7H3 | PDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
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DrugBank MCE KEGG PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of ABCB1 (unknown origin) expressed in HEK293 cells assessed as increase in reversal of resistance to paclitaxel-induced cytotoxicity by m... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01741 BindingDB Entry DOI: 10.7270/Q20K2D5F |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM81939
(CAS_52-53-9 | NSC_62969 | VERAPAMIL)Show SMILES COc1ccc(CCN(C)CCCC(C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC Show InChI InChI=1S/C27H38N2O4/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6/h9-12,17-18,20H,8,13-16H2,1-7H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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DrugBank MCE KEGG PC cid PC sid PDB UniChem
Similars
| DrugBank Article PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of human CYP3A4 preincubated for 10 mins followed by substrate and NADP addition measured after 30 mins by fluorescence assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01498 BindingDB Entry DOI: 10.7270/Q29027P1 |
More data for this Ligand-Target Pair | |
ATP-dependent translocase ABCB1
(Homo sapiens (Human)) | BDBM81939
(CAS_52-53-9 | NSC_62969 | VERAPAMIL)Show SMILES COc1ccc(CCN(C)CCCC(C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC Show InChI InChI=1S/C27H38N2O4/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6/h9-12,17-18,20H,8,13-16H2,1-7H3 | PDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
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DrugBank MCE KEGG PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Reversal of P-glycoprotein mediated multidrug resistance in human MCF-7T cells assessed as reversal of resistance to paclitaxel-induced cytotoxicity ... |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.113107 BindingDB Entry DOI: 10.7270/Q2SX6HZ3 |
More data for this Ligand-Target Pair | |
ATP-dependent translocase ABCB1
(Homo sapiens (Human)) | BDBM81939
(CAS_52-53-9 | NSC_62969 | VERAPAMIL)Show SMILES COc1ccc(CCN(C)CCCC(C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC Show InChI InChI=1S/C27H38N2O4/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6/h9-12,17-18,20H,8,13-16H2,1-7H3 | PDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
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DrugBank MCE KEGG PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Yantai University
Curated by ChEMBL
| Assay Description Reversal of P-gp-mediated multidrug resistance in human KBV cells assessed as potentiation of paclitaxel-induced cytotoxicity by measuring paclitaxel... |
Eur J Med Chem 182: (2019)
Article DOI: 10.1016/j.ejmech.2019.111668 BindingDB Entry DOI: 10.7270/Q2QC06W2 |
More data for this Ligand-Target Pair | |
ATP-dependent translocase ABCB1
(Homo sapiens (Human)) | BDBM81939
(CAS_52-53-9 | NSC_62969 | VERAPAMIL)Show SMILES COc1ccc(CCN(C)CCCC(C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC Show InChI InChI=1S/C27H38N2O4/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6/h9-12,17-18,20H,8,13-16H2,1-7H3 | PDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
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DrugBank MCE KEGG PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Reversal of P-glycoprotein mediated multidrug resistance in human KBV cells assessed as reversal of resistance to paclitaxel-induced cytotoxicity by ... |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.113107 BindingDB Entry DOI: 10.7270/Q2SX6HZ3 |
More data for this Ligand-Target Pair | |
ATP-dependent translocase ABCB1
(Homo sapiens (Human)) | BDBM81939
(CAS_52-53-9 | NSC_62969 | VERAPAMIL)Show SMILES COc1ccc(CCN(C)CCCC(C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC Show InChI InChI=1S/C27H38N2O4/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6/h9-12,17-18,20H,8,13-16H2,1-7H3 | PDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
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DrugBank MCE KEGG PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
Universities of Shandong
Curated by ChEMBL
| Assay Description Reversal of P-gp-mediated multidrug resistance in human KBV cells assessed as potentiation of paclitaxel-induced cytotoxicity by measuring paclitaxel... |
Eur J Med Chem 161: 118-130 (2019)
Article DOI: 10.1016/j.ejmech.2018.10.038 BindingDB Entry DOI: 10.7270/Q22V2KD1 |
More data for this Ligand-Target Pair | |
ATP-dependent translocase ABCB1
(Homo sapiens (Human)) | BDBM81939
(CAS_52-53-9 | NSC_62969 | VERAPAMIL)Show SMILES COc1ccc(CCN(C)CCCC(C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC Show InChI InChI=1S/C27H38N2O4/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6/h9-12,17-18,20H,8,13-16H2,1-7H3 | PDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
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DrugBank MCE KEGG PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Firenze
Curated by ChEMBL
| Assay Description Modulatory activity at P-gp assessed as doxorubicin IC50 in human K562 cells at 3 uM after 72 hrs by MTT assay (Rvb doxorubicin alone IC50 = 0.023 +/... |
Eur J Med Chem 87: 398-412 (2014)
Article DOI: 10.1016/j.ejmech.2014.09.084 BindingDB Entry DOI: 10.7270/Q2H41VF6 |
More data for this Ligand-Target Pair | |
ATP-dependent translocase ABCB1
(Homo sapiens (Human)) | BDBM81939
(CAS_52-53-9 | NSC_62969 | VERAPAMIL)Show SMILES COc1ccc(CCN(C)CCCC(C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC Show InChI InChI=1S/C27H38N2O4/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6/h9-12,17-18,20H,8,13-16H2,1-7H3 | PDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
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DrugBank MCE KEGG PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
Yantai University
Curated by ChEMBL
| Assay Description Reversal of P-gp-mediated multidrug resistance in human KBV cells assessed as potentiation of vincristine-induced cytotoxicity by measuring vincristi... |
Eur J Med Chem 182: (2019)
Article DOI: 10.1016/j.ejmech.2019.111668 BindingDB Entry DOI: 10.7270/Q2QC06W2 |
More data for this Ligand-Target Pair | |
ATP-dependent translocase ABCB1
(Homo sapiens (Human)) | BDBM81939
(CAS_52-53-9 | NSC_62969 | VERAPAMIL)Show SMILES COc1ccc(CCN(C)CCCC(C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC Show InChI InChI=1S/C27H38N2O4/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6/h9-12,17-18,20H,8,13-16H2,1-7H3 | PDB
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| Article PubMed
| n/a | n/a | 37 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Reversal of P-glycoprotein mediated multidrug resistance in human KBV cells assessed as reversal of resistance to paclitaxel-induced cytotoxicity by ... |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.113107 BindingDB Entry DOI: 10.7270/Q2SX6HZ3 |
More data for this Ligand-Target Pair | |
ATP-dependent translocase ABCB1
(Homo sapiens (Human)) | BDBM81939
(CAS_52-53-9 | NSC_62969 | VERAPAMIL)Show SMILES COc1ccc(CCN(C)CCCC(C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC Show InChI InChI=1S/C27H38N2O4/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6/h9-12,17-18,20H,8,13-16H2,1-7H3 | PDB
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| Article PubMed
| n/a | n/a | 38 | n/a | n/a | n/a | n/a | n/a | n/a |
The Hong Kong Polytechnic University
Curated by ChEMBL
| Assay Description Modulation of P-gp (unknown origin) transfected in human MDA435/LCC6MDR cells assessed as reversible of paclitaxel resistance measured as IC50 for pa... |
J Med Chem 58: 4529-49 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00085 BindingDB Entry DOI: 10.7270/Q2N29ZP5 |
More data for this Ligand-Target Pair | |
ATP-dependent translocase ABCB1
(Homo sapiens (Human)) | BDBM81939
(CAS_52-53-9 | NSC_62969 | VERAPAMIL)Show SMILES COc1ccc(CCN(C)CCCC(C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC Show InChI InChI=1S/C27H38N2O4/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6/h9-12,17-18,20H,8,13-16H2,1-7H3 | PDB
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| Article PubMed
| n/a | n/a | 38 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of P-glycoprotein in human LCC6MDR cells assessed as reversal fold by measuring reduction in paclitaxel by measuring paclitaxel IC50 at 1 ... |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113795 BindingDB Entry DOI: 10.7270/Q2GF0ZDD |
More data for this Ligand-Target Pair | |
Voltage-dependent L-type calcium channel subunit alpha-1C
(RAT) | BDBM81939
(CAS_52-53-9 | NSC_62969 | VERAPAMIL)Show SMILES COc1ccc(CCN(C)CCCC(C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC Show InChI InChI=1S/C27H38N2O4/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6/h9-12,17-18,20H,8,13-16H2,1-7H3 | PDB
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| Article PubMed
| n/a | n/a | 39 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Siena
Curated by ChEMBL
| Assay Description Ability to inhibit [3H]nitrendipine binding to the L-type calcium channel receptor(CCR) in rat heart homogenate. |
J Med Chem 39: 2922-38 (1996)
Article DOI: 10.1021/jm960162z BindingDB Entry DOI: 10.7270/Q2HH6KQ5 |
More data for this Ligand-Target Pair | |
ATP-dependent translocase ABCB1
(Homo sapiens (Human)) | BDBM81939
(CAS_52-53-9 | NSC_62969 | VERAPAMIL)Show SMILES COc1ccc(CCN(C)CCCC(C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC Show InChI InChI=1S/C27H38N2O4/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6/h9-12,17-18,20H,8,13-16H2,1-7H3 | PDB
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| Article PubMed
| n/a | n/a | 76 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of ABCB1 in FLp-In-293 cells assessed as potentiation of doxorubicin-induced cytotoxicity by measuring doxorubicin IC50 at 2.5 uM measured... |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112422 BindingDB Entry DOI: 10.7270/Q22Z1974 |
More data for this Ligand-Target Pair | |
ATP-dependent translocase ABCB1
(Homo sapiens (Human)) | BDBM81939
(CAS_52-53-9 | NSC_62969 | VERAPAMIL)Show SMILES COc1ccc(CCN(C)CCCC(C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC Show InChI InChI=1S/C27H38N2O4/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6/h9-12,17-18,20H,8,13-16H2,1-7H3 | PDB
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| Article PubMed
| n/a | n/a | 77 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of ABCB1 in human KB-VIN cells assessed as potentiation of paclitaxel-induced cytotoxicity by measuring paclitaxel IC50 at 2.5 uM measured... |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112422 BindingDB Entry DOI: 10.7270/Q22Z1974 |
More data for this Ligand-Target Pair | |
Voltage-dependent L-type calcium channel subunit alpha-1C/alpha-1D/alpha-1S
(Rattus norvegicus-RAT) | BDBM81939
(CAS_52-53-9 | NSC_62969 | VERAPAMIL)Show SMILES COc1ccc(CCN(C)CCCC(C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC Show InChI InChI=1S/C27H38N2O4/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6/h9-12,17-18,20H,8,13-16H2,1-7H3 | PDB
KEGG
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| PDB Article PubMed
| n/a | n/a | 79 | n/a | n/a | n/a | n/a | n/a | n/a |
Vietnam Academy of Science and Technology
Curated by ChEMBL
| Assay Description Inhibition of L-type calcium channel in endothelium-denuded Wistar rat aorta rings assessed as relaxation of 60 mM K+-induced contraction |
J Nat Prod 77: 1586-93 (2014)
Article DOI: 10.1021/np500076v BindingDB Entry DOI: 10.7270/Q26H4K1N |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
ATP-dependent translocase ABCB1
(Homo sapiens (Human)) | BDBM81939
(CAS_52-53-9 | NSC_62969 | VERAPAMIL)Show SMILES COc1ccc(CCN(C)CCCC(C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC Show InChI InChI=1S/C27H38N2O4/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6/h9-12,17-18,20H,8,13-16H2,1-7H3 | PDB
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| Article PubMed
| n/a | n/a | 86 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of ABCB1 in human HeLa S3 cells assessed as potentiation of doxorubicin-induced cytotoxicity by measuring doxorubicin IC50 at 2.5 uM measu... |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112422 BindingDB Entry DOI: 10.7270/Q22Z1974 |
More data for this Ligand-Target Pair | |
Voltage-dependent L-type calcium channel subunit alpha-1C
(Cavia porcellus) | BDBM81939
(CAS_52-53-9 | NSC_62969 | VERAPAMIL)Show SMILES COc1ccc(CCN(C)CCCC(C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC Show InChI InChI=1S/C27H38N2O4/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6/h9-12,17-18,20H,8,13-16H2,1-7H3 | UniProtKB/SwissProt
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| Article PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University
Curated by ChEMBL
| Assay Description Inhibition of L-type calcium channel measured using whole-cell patch clamp in guinea pig ventricular myocytes |
J Appl Toxicol 32: 858-66 (2012)
Article DOI: 10.1002/jat.2784 BindingDB Entry DOI: 10.7270/Q2D79D5C |
More data for this Ligand-Target Pair | |
Voltage-dependent L-type calcium channel subunit alpha-1C
(Cavia porcellus) | BDBM81939
(CAS_52-53-9 | NSC_62969 | VERAPAMIL)Show SMILES COc1ccc(CCN(C)CCCC(C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC Show InChI InChI=1S/C27H38N2O4/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6/h9-12,17-18,20H,8,13-16H2,1-7H3 | UniProtKB/SwissProt
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| Article PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Oxford
Curated by ChEMBL
| Assay Description Inhibition of calcium current (ICaL) measured using whole-cell patch clamp experiments in isolated guinea pig ventricular myocytes |
Cardiovasc Res 91: 53-61 (2011)
Article DOI: 10.1093/cvr/cvr044 BindingDB Entry DOI: 10.7270/Q2NP264F |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM81939
(CAS_52-53-9 | NSC_62969 | VERAPAMIL)Show SMILES COc1ccc(CCN(C)CCCC(C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC Show InChI InChI=1S/C27H38N2O4/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6/h9-12,17-18,20H,8,13-16H2,1-7H3 | PDB MMDB
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| DrugBank PubMed
| n/a | n/a | 141 | n/a | n/a | n/a | n/a | n/a | n/a |
Gedeon Richter Ltd
Curated by ChEMBL
| Assay Description Inhibition of human Potassium channel HERG expressed in mammalian cells |
Bioorg Med Chem Lett 13: 2773-5 (2003)
BindingDB Entry DOI: 10.7270/Q2QZ2BGZ |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM81939
(CAS_52-53-9 | NSC_62969 | VERAPAMIL)Show SMILES COc1ccc(CCN(C)CCCC(C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC Show InChI InChI=1S/C27H38N2O4/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6/h9-12,17-18,20H,8,13-16H2,1-7H3 | PDB MMDB
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| DrugBank Article PubMed
| n/a | n/a | 141 | n/a | n/a | n/a | n/a | n/a | n/a |
TCG Lifesciences Ltd.
Curated by ChEMBL
| Assay Description Inhibition of human ERG |
Eur J Med Chem 46: 618-30 (2011)
Article DOI: 10.1016/j.ejmech.2010.11.042 BindingDB Entry DOI: 10.7270/Q2WQ052W |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM81939
(CAS_52-53-9 | NSC_62969 | VERAPAMIL)Show SMILES COc1ccc(CCN(C)CCCC(C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC Show InChI InChI=1S/C27H38N2O4/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6/h9-12,17-18,20H,8,13-16H2,1-7H3 | PDB MMDB
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| DrugBank Article PubMed
| n/a | n/a | 143 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Oxford
Curated by ChEMBL
| Assay Description Inhibition of hERG K channel |
Cardiovasc Res 91: 53-61 (2011)
Article DOI: 10.1093/cvr/cvr044 BindingDB Entry DOI: 10.7270/Q2NP264F |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM81939
(CAS_52-53-9 | NSC_62969 | VERAPAMIL)Show SMILES COc1ccc(CCN(C)CCCC(C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC Show InChI InChI=1S/C27H38N2O4/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6/h9-12,17-18,20H,8,13-16H2,1-7H3 | PDB MMDB
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| DrugBank PubMed
| n/a | n/a | 143 | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of K+ channel activity in CHO cells expressing HERG Kv11.1 |
Bioorg Med Chem Lett 13: 1829-35 (2003)
BindingDB Entry DOI: 10.7270/Q2TX3FX0 |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM81939
(CAS_52-53-9 | NSC_62969 | VERAPAMIL)Show SMILES COc1ccc(CCN(C)CCCC(C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC Show InChI InChI=1S/C27H38N2O4/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6/h9-12,17-18,20H,8,13-16H2,1-7H3 | PDB MMDB
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| DrugBank Article PubMed
| n/a | n/a | 145 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development
Curated by ChEMBL
| Assay Description Inhibition of human voltage-gated potassium channel subunit Kv11.1 (ERG K+ channel) in open state |
Bioorg Med Chem Lett 15: 1737-41 (2005)
Article DOI: 10.1016/j.bmcl.2005.01.008 BindingDB Entry DOI: 10.7270/Q2FT8NCR |
More data for this Ligand-Target Pair | |
Voltage-dependent L-type calcium channel subunit alpha-1C
(Homo sapiens (Human)) | BDBM81939
(CAS_52-53-9 | NSC_62969 | VERAPAMIL)Show SMILES COc1ccc(CCN(C)CCCC(C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC Show InChI InChI=1S/C27H38N2O4/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6/h9-12,17-18,20H,8,13-16H2,1-7H3 | PDB
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| PubMed
| n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
Università di Firenze
Curated by ChEMBL
| Assay Description Inhibition of (-)-[3H]- D-888 binding to L-type calcium channels in kitten heart ventricle membranes |
J Med Chem 36: 439-45 (1993)
BindingDB Entry DOI: 10.7270/Q2833R3Q |
More data for this Ligand-Target Pair | |
Voltage-dependent L-type calcium channel subunit alpha-1C
(Cavia porcellus) | BDBM81939
(CAS_52-53-9 | NSC_62969 | VERAPAMIL)Show SMILES COc1ccc(CCN(C)CCCC(C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC Show InChI InChI=1S/C27H38N2O4/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6/h9-12,17-18,20H,8,13-16H2,1-7H3 | UniProtKB/SwissProt
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| Article PubMed
| n/a | n/a | 164 | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University
Curated by ChEMBL
| Assay Description Inhibition of L-type calcium channel measured using whole-cell patch clamp in guinea pig ventricular myocytes |
J Appl Toxicol 32: 858-66 (2012)
Article DOI: 10.1002/jat.2784 BindingDB Entry DOI: 10.7270/Q2D79D5C |
More data for this Ligand-Target Pair | |
ATP-dependent translocase ABCB1
(Homo sapiens (Human)) | BDBM81939
(CAS_52-53-9 | NSC_62969 | VERAPAMIL)Show SMILES COc1ccc(CCN(C)CCCC(C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC Show InChI InChI=1S/C27H38N2O4/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6/h9-12,17-18,20H,8,13-16H2,1-7H3 | PDB
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| Article PubMed
| n/a | n/a | 195 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of ABCB1 in human KB-VIN cells assessed as potentiation of vincristine-induced cytotoxicity by measuring vincristine IC50 at 2.5 uM measur... |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112422 BindingDB Entry DOI: 10.7270/Q22Z1974 |
More data for this Ligand-Target Pair | |
Voltage-dependent L-type calcium channel subunit alpha-1C/alpha-1D/alpha-1F/alpha-1S
(Homo sapiens (Human)) | BDBM81939
(CAS_52-53-9 | NSC_62969 | VERAPAMIL)Show SMILES COc1ccc(CCN(C)CCCC(C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC Show InChI InChI=1S/C27H38N2O4/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6/h9-12,17-18,20H,8,13-16H2,1-7H3 | PDB
KEGG
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| DrugBank PDB Article PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
ChanTest Corporation
Curated by ChEMBL
| Assay Description Inhibition of Cav1.2 current measured using QPatch automatic path clamp system in CHO cells expressing Cav1.2, beta-2 and alpha-2/delta-1 subunits |
Sci Rep 3: (2013)
Article DOI: 10.1038/srep02100 BindingDB Entry DOI: 10.7270/Q2RB77K2 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM81939
(CAS_52-53-9 | NSC_62969 | VERAPAMIL)Show SMILES COc1ccc(CCN(C)CCCC(C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC Show InChI InChI=1S/C27H38N2O4/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6/h9-12,17-18,20H,8,13-16H2,1-7H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
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DrugBank MCE KEGG PC cid PC sid PDB UniChem
Similars
| DrugBank Article PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of human ERG stably expressed in CHO-K1 cells at -90 mV holding potential by automated Q-patch clamp method |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00328 BindingDB Entry DOI: 10.7270/Q2639TJ1 |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM81939
(CAS_52-53-9 | NSC_62969 | VERAPAMIL)Show SMILES COc1ccc(CCN(C)CCCC(C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC Show InChI InChI=1S/C27H38N2O4/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6/h9-12,17-18,20H,8,13-16H2,1-7H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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DrugBank MCE KEGG PC cid PC sid PDB UniChem
Similars
| DrugBank Article PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Cape Town
Curated by ChEMBL
| Assay Description Inhibition of human ERG expressed in CHO cells assessed as reduction in peak channel current by IonWork patch-clamp electrophysiology method |
J Med Chem 62: 1022-1035 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01769 BindingDB Entry DOI: 10.7270/Q2HX1H22 |
More data for this Ligand-Target Pair | |
ATP-dependent translocase ABCB1
(Homo sapiens (Human)) | BDBM81939
(CAS_52-53-9 | NSC_62969 | VERAPAMIL)Show SMILES COc1ccc(CCN(C)CCCC(C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC Show InChI InChI=1S/C27H38N2O4/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6/h9-12,17-18,20H,8,13-16H2,1-7H3 | PDB
UniProtKB/SwissProt
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DrugBank MCE KEGG PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of ABCB1 in multidrug-resistant human SW620/Ad300 cells assessed as increase in reversal of resistance to paclitaxel-induced cytotoxicity ... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01741 BindingDB Entry DOI: 10.7270/Q20K2D5F |
More data for this Ligand-Target Pair | |
Voltage-dependent L-type calcium channel subunit alpha-1C/alpha-1D/alpha-1S
(Rattus norvegicus-RAT) | BDBM81939
(CAS_52-53-9 | NSC_62969 | VERAPAMIL)Show SMILES COc1ccc(CCN(C)CCCC(C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC Show InChI InChI=1S/C27H38N2O4/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6/h9-12,17-18,20H,8,13-16H2,1-7H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
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DrugBank MCE KEGG PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 398 | n/a | n/a | n/a | n/a | n/a | n/a |
Vietnam Academy of Science and Technology
Curated by ChEMBL
| Assay Description Inhibition of L-type calcium channel in endothelium-denuded Wistar rat aorta rings assessed as relaxation of phenylephrine-induced contraction |
J Nat Prod 77: 1586-93 (2014)
Article DOI: 10.1021/np500076v BindingDB Entry DOI: 10.7270/Q26H4K1N |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM81939
(CAS_52-53-9 | NSC_62969 | VERAPAMIL)Show SMILES COc1ccc(CCN(C)CCCC(C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC Show InChI InChI=1S/C27H38N2O4/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6/h9-12,17-18,20H,8,13-16H2,1-7H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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DrugBank MCE KEGG PC cid PC sid PDB UniChem
Similars
| DrugBank Article PubMed
| n/a | n/a | 400 | n/a | n/a | n/a | n/a | n/a | n/a |
Ocean University of China
Curated by ChEMBL
| Assay Description Inhibition of human ERG |
J Med Chem 63: 5865-5878 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00168 BindingDB Entry DOI: 10.7270/Q2DJ5K4K |
More data for this Ligand-Target Pair | |
ATP-dependent translocase ABCB1
(Homo sapiens (Human)) | BDBM81939
(CAS_52-53-9 | NSC_62969 | VERAPAMIL)Show SMILES COc1ccc(CCN(C)CCCC(C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC Show InChI InChI=1S/C27H38N2O4/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6/h9-12,17-18,20H,8,13-16H2,1-7H3 | PDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
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DrugBank MCE KEGG PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 412 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of human full-length ABCB1 expressed in FLp-In-293 cells assessed as potentiation of paclitaxel-induced cytotoxicity by measuring paclitax... |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112422 BindingDB Entry DOI: 10.7270/Q22Z1974 |
More data for this Ligand-Target Pair | |
ATP-dependent translocase ABCB1
(Homo sapiens (Human)) | BDBM81939
(CAS_52-53-9 | NSC_62969 | VERAPAMIL)Show SMILES COc1ccc(CCN(C)CCCC(C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC Show InChI InChI=1S/C27H38N2O4/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6/h9-12,17-18,20H,8,13-16H2,1-7H3 | PDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
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DrugBank MCE KEGG PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 456 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of human full-length ABCB1 expressed in FLp-In-293 cells assessed as potentiation of vincristine-induced cytotoxicity by measuring vincris... |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112422 BindingDB Entry DOI: 10.7270/Q22Z1974 |
More data for this Ligand-Target Pair | |
Voltage-dependent L-type calcium channel subunit alpha-1C/alpha-1D/alpha-1S
(Rattus norvegicus-RAT) | BDBM81939
(CAS_52-53-9 | NSC_62969 | VERAPAMIL)Show SMILES COc1ccc(CCN(C)CCCC(C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC Show InChI InChI=1S/C27H38N2O4/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6/h9-12,17-18,20H,8,13-16H2,1-7H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
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DrugBank MCE KEGG PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 481 | n/a | n/a | n/a | n/a | n/a | n/a |
Vietnam Academy of Science and Technology
Curated by ChEMBL
| Assay Description Inhibition of L-type calcium channel in Wistar rat aorta rings assessed as reduction in L-type Ba(2+) current at Vh of -50 mV |
J Nat Prod 77: 1586-93 (2014)
Article DOI: 10.1021/np500076v BindingDB Entry DOI: 10.7270/Q26H4K1N |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
ATP-dependent translocase ABCB1
(Homo sapiens (Human)) | BDBM81939
(CAS_52-53-9 | NSC_62969 | VERAPAMIL)Show SMILES COc1ccc(CCN(C)CCCC(C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC Show InChI InChI=1S/C27H38N2O4/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6/h9-12,17-18,20H,8,13-16H2,1-7H3 | PDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
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DrugBank MCE KEGG PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Bari"Aldo Moro"
Curated by ChEMBL
| Assay Description Inhibition of human MDR1 expressed in MDCK cells assessed as calcein AM accumulation after 30 mins by fluorescence assay |
J Med Chem 55: 424-36 (2012)
Article DOI: 10.1021/jm201305y BindingDB Entry DOI: 10.7270/Q2HD7W35 |
More data for this Ligand-Target Pair | |
ATP-dependent translocase ABCB1
(Homo sapiens (Human)) | BDBM81939
(CAS_52-53-9 | NSC_62969 | VERAPAMIL)Show SMILES COc1ccc(CCN(C)CCCC(C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC Show InChI InChI=1S/C27H38N2O4/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6/h9-12,17-18,20H,8,13-16H2,1-7H3 | PDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
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DrugBank MCE KEGG PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 522 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of human full-length ABCB1 expressed in FLp-In-293 cells assessed as potentiation of doxorubicin-induced cytotoxicity by measuring doxorub... |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112422 BindingDB Entry DOI: 10.7270/Q22Z1974 |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM81939
(CAS_52-53-9 | NSC_62969 | VERAPAMIL)Show SMILES COc1ccc(CCN(C)CCCC(C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC Show InChI InChI=1S/C27H38N2O4/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6/h9-12,17-18,20H,8,13-16H2,1-7H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
DrugBank MCE KEGG PC cid PC sid PDB UniChem
Similars
| DrugBank Article PubMed
| n/a | n/a | 530 | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description Inhibition of human ERG expressed in CHO cells at holding potential of -90 mV by patch clamp method |
Bioorg Med Chem 25: 5341-5354 (2017)
Article DOI: 10.1016/j.bmc.2017.07.058 BindingDB Entry DOI: 10.7270/Q29W0K0D |
More data for this Ligand-Target Pair | |