Found 12 hits Enz. Inhib. hit(s) with all data for entry = 50042007 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 |
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 | 2.21E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Research Institute of Chemical Technology
Curated by ChEMBL
| Assay Description TP_TRANSPORTER: drug resistance (paclitaxel) in HCT15/CL02 cells |
Anticancer Drugs 14: 175-81 (2003)
Article DOI: 10.1097/01.cad.0000054526.51553.e8 BindingDB Entry DOI: 10.7270/Q25H7HJC |
More data for this Ligand-Target Pair | |
ATP-dependent translocase ABCB1
(Homo sapiens (Human)) | BDBM50005628
((S) Verapamil | (S)-5-((3,4-dimethoxyphenethyl)(me...)Show SMILES COc1ccc(CCN(C)CCC[C@](C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC |r| 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/t27-/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
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CHEMBL MCE KEGG PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 2.44E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Research Institute of Chemical Technology
Curated by ChEMBL
| Assay Description TP_TRANSPORTER: drug resistance (paclitaxel) in HCT15/CL02 cells |
Anticancer Drugs 14: 175-81 (2003)
Article DOI: 10.1097/01.cad.0000054526.51553.e8 BindingDB Entry DOI: 10.7270/Q25H7HJC |
More data for this Ligand-Target Pair | |
ATP-dependent translocase ABCB1
(Homo sapiens (Human)) | BDBM50338982
((R)-5-((3,4-dimethoxyphenethyl)(methyl)amino)-2-(3...)Show SMILES COc1ccc(CCN(C)CCC[C@@](C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC |r| 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/t27-/m1/s1 | PDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
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MCE KEGG PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 2.58E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Research Institute of Chemical Technology
Curated by ChEMBL
| Assay Description TP_TRANSPORTER: drug resistance (paclitaxel) in HCT15/CL02 cells |
Anticancer Drugs 14: 175-81 (2003)
Article DOI: 10.1097/01.cad.0000054526.51553.e8 BindingDB Entry DOI: 10.7270/Q25H7HJC |
More data for this Ligand-Target Pair | |
ATP-dependent translocase ABCB1
(Homo sapiens (Human)) | BDBM50420194
(CHEMBL2074950)Show SMILES COc1ccc(CCN(C)CCC[C@]2(CCc3c2ccc(OC)c3OC)C#N)cc1OC |r| Show InChI InChI=1S/C26H34N2O4/c1-28(16-12-19-7-9-22(29-2)24(17-19)31-4)15-6-13-26(18-27)14-11-20-21(26)8-10-23(30-3)25(20)32-5/h7-10,17H,6,11-16H2,1-5H3/t26-/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
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CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.04E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Research Institute of Chemical Technology
Curated by ChEMBL
| Assay Description TP_TRANSPORTER: drug resistance (paclitaxel) in HCT15/CL02 cells |
Anticancer Drugs 14: 175-81 (2003)
Article DOI: 10.1097/01.cad.0000054526.51553.e8 BindingDB Entry DOI: 10.7270/Q25H7HJC |
More data for this Ligand-Target Pair | |
ATP-dependent translocase ABCB1
(Homo sapiens (Human)) | BDBM50420195
(CHEMBL2074951)Show SMILES COc1ccc(CCN(C)CCC[C@@]2(CCc3c2ccc(OC)c3OC)C#N)cc1OC |r| Show InChI InChI=1S/C26H34N2O4/c1-28(16-12-19-7-9-22(29-2)24(17-19)31-4)15-6-13-26(18-27)14-11-20-21(26)8-10-23(30-3)25(20)32-5/h7-10,17H,6,11-16H2,1-5H3/t26-/m1/s1 | PDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.11E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Research Institute of Chemical Technology
Curated by ChEMBL
| Assay Description TP_TRANSPORTER: drug resistance (paclitaxel) in HCT15/CL02 cells |
Anticancer Drugs 14: 175-81 (2003)
Article DOI: 10.1097/01.cad.0000054526.51553.e8 BindingDB Entry DOI: 10.7270/Q25H7HJC |
More data for this Ligand-Target Pair | |
ATP-dependent translocase ABCB1
(Homo sapiens (Human)) | BDBM50420194
(CHEMBL2074950)Show SMILES COc1ccc(CCN(C)CCC[C@]2(CCc3c2ccc(OC)c3OC)C#N)cc1OC |r| Show InChI InChI=1S/C26H34N2O4/c1-28(16-12-19-7-9-22(29-2)24(17-19)31-4)15-6-13-26(18-27)14-11-20-21(26)8-10-23(30-3)25(20)32-5/h7-10,17H,6,11-16H2,1-5H3/t26-/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
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CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Research Institute of Chemical Technology
Curated by ChEMBL
| Assay Description TP_TRANSPORTER: drug resistance (paclitaxel) in HCT15/CL02 cells |
Anticancer Drugs 14: 175-81 (2003)
Article DOI: 10.1097/01.cad.0000054526.51553.e8 BindingDB Entry DOI: 10.7270/Q25H7HJC |
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
| Purchase
DrugBank MCE KEGG PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 4.78E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Research Institute of Chemical Technology
Curated by ChEMBL
| Assay Description TP_TRANSPORTER: drug resistance (paclitaxel) in MES-SA/DX5 cells |
Anticancer Drugs 14: 175-81 (2003)
Article DOI: 10.1097/01.cad.0000054526.51553.e8 BindingDB Entry DOI: 10.7270/Q25H7HJC |
More data for this Ligand-Target Pair | |
ATP-dependent translocase ABCB1
(Homo sapiens (Human)) | BDBM50005628
((S) Verapamil | (S)-5-((3,4-dimethoxyphenethyl)(me...)Show SMILES COc1ccc(CCN(C)CCC[C@](C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC |r| 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/t27-/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE KEGG PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 5.33E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Research Institute of Chemical Technology
Curated by ChEMBL
| Assay Description TP_TRANSPORTER: drug resistance (paclitaxel) in MES-SA/DX5 cells |
Anticancer Drugs 14: 175-81 (2003)
Article DOI: 10.1097/01.cad.0000054526.51553.e8 BindingDB Entry DOI: 10.7270/Q25H7HJC |
More data for this Ligand-Target Pair | |
ATP-dependent translocase ABCB1
(Homo sapiens (Human)) | BDBM50338982
((R)-5-((3,4-dimethoxyphenethyl)(methyl)amino)-2-(3...)Show SMILES COc1ccc(CCN(C)CCC[C@@](C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC |r| 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/t27-/m1/s1 | PDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
MCE KEGG PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 5.52E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Research Institute of Chemical Technology
Curated by ChEMBL
| Assay Description TP_TRANSPORTER: drug resistance (paclitaxel) in MES-SA/DX5 cells |
Anticancer Drugs 14: 175-81 (2003)
Article DOI: 10.1097/01.cad.0000054526.51553.e8 BindingDB Entry DOI: 10.7270/Q25H7HJC |
More data for this Ligand-Target Pair | |
ATP-dependent translocase ABCB1
(Homo sapiens (Human)) | BDBM50420194
(CHEMBL2074950)Show SMILES COc1ccc(CCN(C)CCC[C@]2(CCc3c2ccc(OC)c3OC)C#N)cc1OC |r| Show InChI InChI=1S/C26H34N2O4/c1-28(16-12-19-7-9-22(29-2)24(17-19)31-4)15-6-13-26(18-27)14-11-20-21(26)8-10-23(30-3)25(20)32-5/h7-10,17H,6,11-16H2,1-5H3/t26-/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 6.63E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Research Institute of Chemical Technology
Curated by ChEMBL
| Assay Description TP_TRANSPORTER: drug resistance (paclitaxel) in MES-SA/DX5 cells |
Anticancer Drugs 14: 175-81 (2003)
Article DOI: 10.1097/01.cad.0000054526.51553.e8 BindingDB Entry DOI: 10.7270/Q25H7HJC |
More data for this Ligand-Target Pair | |
ATP-dependent translocase ABCB1
(Homo sapiens (Human)) | BDBM50420194
(CHEMBL2074950)Show SMILES COc1ccc(CCN(C)CCC[C@]2(CCc3c2ccc(OC)c3OC)C#N)cc1OC |r| Show InChI InChI=1S/C26H34N2O4/c1-28(16-12-19-7-9-22(29-2)24(17-19)31-4)15-6-13-26(18-27)14-11-20-21(26)8-10-23(30-3)25(20)32-5/h7-10,17H,6,11-16H2,1-5H3/t26-/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 7.63E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Research Institute of Chemical Technology
Curated by ChEMBL
| Assay Description TP_TRANSPORTER: drug resistance (paclitaxel) in MES-SA/DX5 cells |
Anticancer Drugs 14: 175-81 (2003)
Article DOI: 10.1097/01.cad.0000054526.51553.e8 BindingDB Entry DOI: 10.7270/Q25H7HJC |
More data for this Ligand-Target Pair | |
ATP-dependent translocase ABCB1
(Homo sapiens (Human)) | BDBM50420195
(CHEMBL2074951)Show SMILES COc1ccc(CCN(C)CCC[C@@]2(CCc3c2ccc(OC)c3OC)C#N)cc1OC |r| Show InChI InChI=1S/C26H34N2O4/c1-28(16-12-19-7-9-22(29-2)24(17-19)31-4)15-6-13-26(18-27)14-11-20-21(26)8-10-23(30-3)25(20)32-5/h7-10,17H,6,11-16H2,1-5H3/t26-/m1/s1 | PDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 7.65E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Research Institute of Chemical Technology
Curated by ChEMBL
| Assay Description TP_TRANSPORTER: drug resistance (paclitaxel) in MES-SA/DX5 cells |
Anticancer Drugs 14: 175-81 (2003)
Article DOI: 10.1097/01.cad.0000054526.51553.e8 BindingDB Entry DOI: 10.7270/Q25H7HJC |
More data for this Ligand-Target Pair | |