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Compile Data Set for Download or QSAR

Found 12 hits with Last Name = 'kwon' and Initial = 'mj'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
ATP-dependent translocase ABCB1


(Homo sapiens (Human))
BDBM81939
PNG
(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
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n/an/a 2.21E+3n/an/an/an/an/an/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
PNG
((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
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n/an/a 2.44E+3n/an/an/an/an/an/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
PNG
((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
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n/an/a 2.58E+3n/an/an/an/an/an/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
PNG
(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
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n/an/a 3.04E+3n/an/an/an/an/an/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
PNG
(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
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n/an/a 3.11E+3n/an/an/an/an/an/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
PNG
(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
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n/an/a 3.20E+3n/an/an/an/an/an/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
PNG
(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
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n/an/a 4.78E+3n/an/an/an/an/an/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
PNG
((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
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n/an/a 5.33E+3n/an/an/an/an/an/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
PNG
((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
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n/an/a 5.52E+3n/an/an/an/an/an/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
PNG
(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
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n/an/a 6.63E+3n/an/an/an/an/an/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
PNG
(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
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n/an/a 7.63E+3n/an/an/an/an/an/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
PNG
(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
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n/an/a 7.65E+3n/an/an/an/an/an/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