Compile Data Set for Download or QSAR

Found 51 hits with Last Name = 'liang' and Initial = 'k'   

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
Substance-P receptor (Homo sapiens (Human))	BDBM50470670 (CHEMBL149557) Show SMILES COc1ccc(cc1CN[C@H]1CCCN[C@H]1c1ccccc1)-c1ccsc1 Show InChI InChI=1S/C23H26N2OS/c1-26-22-10-9-18(19-11-13-27-16-19)14-20(22)15-25-21-8-5-12-24-23(21)17-6-3-2-4-7-17/h2-4,6-7,9-11,13-14,16,21,23-25H,5,8,12,15H2,1H3/t21-,23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0316	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GSK UK Curated by ChEMBL					Assay Description Binding affinity to Tachykinin receptor 1 stably expressed in chinese hamster ovary (CHO) cells				J Med Chem 38: 4985-92 (1995) Article DOI: 10.1021/jm00026a005 BindingDB Entry DOI: 10.7270/Q2S46VQ5
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50470678 (CHEMBL146885) Show SMILES COc1ccc(cc1CN[C@H]1CCCN[C@H]1c1ccccc1)-c1c(C)noc1C Show InChI InChI=1S/C24H29N3O2/c1-16-23(17(2)29-27-16)19-11-12-22(28-3)20(14-19)15-26-21-10-7-13-25-24(21)18-8-5-4-6-9-18/h4-6,8-9,11-12,14,21,24-26H,7,10,13,15H2,1-3H3/t21-,24-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0501	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GSK UK Curated by ChEMBL					Assay Description Binding affinity to Tachykinin receptor 1 stably expressed in chinese hamster ovary (CHO) cells				J Med Chem 38: 4985-92 (1995) Article DOI: 10.1021/jm00026a005 BindingDB Entry DOI: 10.7270/Q2S46VQ5
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50470675 (CHEMBL344536) Show SMILES COc1ccc(Br)cc1CN[C@H]1CCCN[C@H]1c1ccccc1 Show InChI InChI=1S/C19H23BrN2O/c1-23-18-10-9-16(20)12-15(18)13-22-17-8-5-11-21-19(17)14-6-3-2-4-7-14/h2-4,6-7,9-10,12,17,19,21-22H,5,8,11,13H2,1H3/t17-,19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0501	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GSK UK Curated by ChEMBL					Assay Description Binding affinity to Tachykinin receptor 1 stably expressed in chinese hamster ovary (CHO) cells				J Med Chem 38: 4985-92 (1995) Article DOI: 10.1021/jm00026a005 BindingDB Entry DOI: 10.7270/Q2S46VQ5
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50410193 (CHEMBL356062 | GR-203040) Show SMILES COc1ccc(cc1CN[C@H]1CCCN[C@H]1c1ccccc1)-n1cnnn1 Show InChI InChI=1S/C20H24N6O/c1-27-19-10-9-17(26-14-23-24-25-26)12-16(19)13-22-18-8-5-11-21-20(18)15-6-3-2-4-7-15/h2-4,6-7,9-10,12,14,18,20-22H,5,8,11,13H2,1H3/t18-,20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	0.0501	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GSK UK Curated by ChEMBL					Assay Description Binding affinity to Tachykinin receptor 1 stably expressed in chinese hamster ovary (CHO) cells				J Med Chem 38: 4985-92 (1995) Article DOI: 10.1021/jm00026a005 BindingDB Entry DOI: 10.7270/Q2S46VQ5
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50470683 (CHEMBL356786) Show SMILES COc1ccc(cc1CN[C@H]1CCCN[C@H]1c1ccccc1)-c1ccoc1 Show InChI InChI=1S/C23H26N2O2/c1-26-22-10-9-18(19-11-13-27-16-19)14-20(22)15-25-21-8-5-12-24-23(21)17-6-3-2-4-7-17/h2-4,6-7,9-11,13-14,16,21,23-25H,5,8,12,15H2,1H3/t21-,23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0631	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GSK UK Curated by ChEMBL					Assay Description Binding affinity to Tachykinin receptor 1 stably expressed in chinese hamster ovary (CHO) cells				J Med Chem 38: 4985-92 (1995) Article DOI: 10.1021/jm00026a005 BindingDB Entry DOI: 10.7270/Q2S46VQ5
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50470669 (CHEMBL359188) Show SMILES COc1ccc(cc1CN[C@H]1CCCN[C@H]1c1ccccc1)-c1ccncc1 Show InChI InChI=1S/C24H27N3O/c1-28-23-10-9-20(18-11-14-25-15-12-18)16-21(23)17-27-22-8-5-13-26-24(22)19-6-3-2-4-7-19/h2-4,6-7,9-12,14-16,22,24,26-27H,5,8,13,17H2,1H3/t22-,24-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0631	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GSK UK Curated by ChEMBL					Assay Description Binding affinity to Tachykinin receptor 1 stably expressed in chinese hamster ovary (CHO) cells				J Med Chem 38: 4985-92 (1995) Article DOI: 10.1021/jm00026a005 BindingDB Entry DOI: 10.7270/Q2S46VQ5
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50470672 (CHEMBL434884) Show SMILES COc1ccc(SC)cc1CN[C@H]1CCCN[C@H]1c1ccccc1 Show InChI InChI=1S/C20H26N2OS/c1-23-19-11-10-17(24-2)13-16(19)14-22-18-9-6-12-21-20(18)15-7-4-3-5-8-15/h3-5,7-8,10-11,13,18,20-22H,6,9,12,14H2,1-2H3/t18-,20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0794	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GSK UK Curated by ChEMBL					Assay Description Binding affinity to Tachykinin receptor 1 stably expressed in chinese hamster ovary (CHO) cells				J Med Chem 38: 4985-92 (1995) Article DOI: 10.1021/jm00026a005 BindingDB Entry DOI: 10.7270/Q2S46VQ5
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50470667 (CHEMBL424301) Show SMILES COc1ccc(cc1CN[C@H]1CCCN[C@H]1c1ccccc1)-n1ncnn1 Show InChI InChI=1S/C20H24N6O/c1-27-19-10-9-17(26-24-14-23-25-26)12-16(19)13-22-18-8-5-11-21-20(18)15-6-3-2-4-7-15/h2-4,6-7,9-10,12,14,18,20-22H,5,8,11,13H2,1H3/t18-,20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.126	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GSK UK Curated by ChEMBL					Assay Description Binding affinity to Tachykinin receptor 1 stably expressed in chinese hamster ovary (CHO) cells				J Med Chem 38: 4985-92 (1995) Article DOI: 10.1021/jm00026a005 BindingDB Entry DOI: 10.7270/Q2S46VQ5
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50470676 (CHEMBL359255) Show SMILES COc1ccc(cc1CN[C@H]1CCCN[C@H]1c1ccccc1)-n1cncn1 Show InChI InChI=1S/C21H25N5O/c1-27-20-10-9-18(26-15-22-14-25-26)12-17(20)13-24-19-8-5-11-23-21(19)16-6-3-2-4-7-16/h2-4,6-7,9-10,12,14-15,19,21,23-24H,5,8,11,13H2,1H3/t19-,21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.158	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GSK UK Curated by ChEMBL					Assay Description Binding affinity to Tachykinin receptor 1 stably expressed in chinese hamster ovary (CHO) cells				J Med Chem 38: 4985-92 (1995) Article DOI: 10.1021/jm00026a005 BindingDB Entry DOI: 10.7270/Q2S46VQ5
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50470677 (CHEMBL147776) Show SMILES COc1ccc(F)cc1CN[C@H]1CCCN[C@H]1c1ccccc1 Show InChI InChI=1S/C19H23FN2O/c1-23-18-10-9-16(20)12-15(18)13-22-17-8-5-11-21-19(17)14-6-3-2-4-7-14/h2-4,6-7,9-10,12,17,19,21-22H,5,8,11,13H2,1H3/t17-,19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.158	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GSK UK Curated by ChEMBL					Assay Description Binding affinity to Tachykinin receptor 1 stably expressed in chinese hamster ovary (CHO) cells				J Med Chem 38: 4985-92 (1995) Article DOI: 10.1021/jm00026a005 BindingDB Entry DOI: 10.7270/Q2S46VQ5
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50470671 (CHEMBL358575) Show SMILES COc1ccc(cc1CN[C@H]1CCCN[C@H]1c1ccccc1)-c1cncnc1 Show InChI InChI=1S/C23H26N4O/c1-28-22-10-9-18(20-13-24-16-25-14-20)12-19(22)15-27-21-8-5-11-26-23(21)17-6-3-2-4-7-17/h2-4,6-7,9-10,12-14,16,21,23,26-27H,5,8,11,15H2,1H3/t21-,23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.158	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GSK UK Curated by ChEMBL					Assay Description Binding affinity to Tachykinin receptor 1 stably expressed in chinese hamster ovary (CHO) cells				J Med Chem 38: 4985-92 (1995) Article DOI: 10.1021/jm00026a005 BindingDB Entry DOI: 10.7270/Q2S46VQ5
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50470681 (CHEMBL357029) Show SMILES COc1ccc(cc1CN[C@H]1CCCN[C@H]1c1ccccc1)-c1nnnn1C Show InChI InChI=1S/C21H26N6O/c1-27-21(24-25-26-27)16-10-11-19(28-2)17(13-16)14-23-18-9-6-12-22-20(18)15-7-4-3-5-8-15/h3-5,7-8,10-11,13,18,20,22-23H,6,9,12,14H2,1-2H3/t18-,20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GSK UK Curated by ChEMBL					Assay Description Binding affinity to Tachykinin receptor 1 stably expressed in chinese hamster ovary (CHO) cells				J Med Chem 38: 4985-92 (1995) Article DOI: 10.1021/jm00026a005 BindingDB Entry DOI: 10.7270/Q2S46VQ5
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50000041 ((+) (2-Methoxy-benzyl)-(2-phenyl-piperidin-3-yl)-a...) Show SMILES COc1ccccc1CN[C@H]1CCCN[C@H]1c1ccccc1 Show InChI InChI=1S/C19H24N2O/c1-22-18-12-6-5-10-16(18)14-21-17-11-7-13-20-19(17)15-8-3-2-4-9-15/h2-6,8-10,12,17,19-21H,7,11,13-14H2,1H3/t17-,19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	0.251	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GSK UK Curated by ChEMBL					Assay Description Binding affinity to Tachykinin receptor 1 stably expressed in chinese hamster ovary (CHO) cells				J Med Chem 38: 4985-92 (1995) Article DOI: 10.1021/jm00026a005 BindingDB Entry DOI: 10.7270/Q2S46VQ5
					More data for this Ligand-Target Pair				3D Structure (crystal)
Substance-P receptor (Homo sapiens (Human))	BDBM50470674 (CHEMBL342966) Show SMILES COc1ccc(cc1CN[C@H]1CCCN[C@H]1c1ccccc1)-c1ccco1 Show InChI InChI=1S/C23H26N2O2/c1-26-21-12-11-18(22-10-6-14-27-22)15-19(21)16-25-20-9-5-13-24-23(20)17-7-3-2-4-8-17/h2-4,6-8,10-12,14-15,20,23-25H,5,9,13,16H2,1H3/t20-,23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.501	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GSK UK Curated by ChEMBL					Assay Description Binding affinity to Tachykinin receptor 1 stably expressed in chinese hamster ovary (CHO) cells				J Med Chem 38: 4985-92 (1995) Article DOI: 10.1021/jm00026a005 BindingDB Entry DOI: 10.7270/Q2S46VQ5
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50470680 (CHEMBL343404) Show SMILES COc1ccc(cc1CN[C@H]1CCCN[C@H]1c1ccccc1)S(C)(=O)=O Show InChI InChI=1S/C20H26N2O3S/c1-25-19-11-10-17(26(2,23)24)13-16(19)14-22-18-9-6-12-21-20(18)15-7-4-3-5-8-15/h3-5,7-8,10-11,13,18,20-22H,6,9,12,14H2,1-2H3/t18-,20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.501	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GSK UK Curated by ChEMBL					Assay Description Binding affinity to Tachykinin receptor 1 stably expressed in chinese hamster ovary (CHO) cells				J Med Chem 38: 4985-92 (1995) Article DOI: 10.1021/jm00026a005 BindingDB Entry DOI: 10.7270/Q2S46VQ5
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50470673 (CHEMBL144793) Show SMILES COc1ccc(cc1CN[C@H]1CCCN[C@H]1c1ccccc1)-c1c(C)nn(C)c1C Show InChI InChI=1S/C25H32N4O/c1-17-24(18(2)29(3)28-17)20-12-13-23(30-4)21(15-20)16-27-22-11-8-14-26-25(22)19-9-6-5-7-10-19/h5-7,9-10,12-13,15,22,25-27H,8,11,14,16H2,1-4H3/t22-,25-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.794	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GSK UK Curated by ChEMBL					Assay Description Binding affinity to Tachykinin receptor 1 stably expressed in chinese hamster ovary (CHO) cells				J Med Chem 38: 4985-92 (1995) Article DOI: 10.1021/jm00026a005 BindingDB Entry DOI: 10.7270/Q2S46VQ5
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50470668 (CHEMBL147619) Show SMILES COc1ccc(cc1CN[C@H]1CCCN[C@H]1c1ccccc1)-c1nccs1 Show InChI InChI=1S/C22H25N3OS/c1-26-20-10-9-17(22-24-12-13-27-22)14-18(20)15-25-19-8-5-11-23-21(19)16-6-3-2-4-7-16/h2-4,6-7,9-10,12-14,19,21,23,25H,5,8,11,15H2,1H3/t19-,21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.794	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GSK UK Curated by ChEMBL					Assay Description Binding affinity to Tachykinin receptor 1 stably expressed in chinese hamster ovary (CHO) cells				J Med Chem 38: 4985-92 (1995) Article DOI: 10.1021/jm00026a005 BindingDB Entry DOI: 10.7270/Q2S46VQ5
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50470679 (CHEMBL146210) Show SMILES COc1ccc(cc1CN[C@H]1CCCN[C@H]1c1ccccc1)-c1nccn1C Show InChI InChI=1S/C23H28N4O/c1-27-14-13-25-23(27)18-10-11-21(28-2)19(15-18)16-26-20-9-6-12-24-22(20)17-7-4-3-5-8-17/h3-5,7-8,10-11,13-15,20,22,24,26H,6,9,12,16H2,1-2H3/t20-,22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GSK UK Curated by ChEMBL					Assay Description Binding affinity to Tachykinin receptor 1 stably expressed in chinese hamster ovary (CHO) cells				J Med Chem 38: 4985-92 (1995) Article DOI: 10.1021/jm00026a005 BindingDB Entry DOI: 10.7270/Q2S46VQ5
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50470682 (CHEMBL343219) Show SMILES COc1ccc(cc1CN[C@H]1CCCN[C@H]1c1ccccc1)-c1nnn(C)n1 Show InChI InChI=1S/C21H26N6O/c1-27-25-21(24-26-27)16-10-11-19(28-2)17(13-16)14-23-18-9-6-12-22-20(18)15-7-4-3-5-8-15/h3-5,7-8,10-11,13,18,20,22-23H,6,9,12,14H2,1-2H3/t18-,20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GSK UK Curated by ChEMBL					Assay Description Binding affinity to Tachykinin receptor 1 stably expressed in chinese hamster ovary (CHO) cells				J Med Chem 38: 4985-92 (1995) Article DOI: 10.1021/jm00026a005 BindingDB Entry DOI: 10.7270/Q2S46VQ5
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50506874 (CHEMBL4161103) Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)Cc4nccnc4[C@@](C)(CO)[C@]3([H])CC[C@@]12C)C(=O)OCc1ccccc1 |r,t:15| Show InChI InChI=1S/C39H52N2O3/c1-34(2)16-18-39(33(43)44-24-26-10-8-7-9-11-26)19-17-37(5)27(28(39)22-34)12-13-31-35(3)23-29-32(41-21-20-40-29)36(4,25-42)30(35)14-15-38(31,37)6/h7-12,20-21,28,30-31,42H,13-19,22-25H2,1-6H3/t28-,30+,31+,35-,36-,37+,38+,39-/m0/s1	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0300	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))	BDBM50570217 (CHEMBL4863423) Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)Cc4nccnc4[C@@](C)(COC(=O)CCC(=O)OCCOCCOCCOCCO)[C@]3([H])CC[C@@]12C)C(=O)OCc1ccccc1 |r,t:15| Show InChI	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0400	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))	BDBM50075373 (1N-{4-[2-(6,7-dimethoxy-1,2,3,4-tetrahydro-2-isoqu...) Show SMILES COc1cc2CCN(CCc3ccc(NC(=O)c4cc(OC)c(OC)cc4NC(=O)c4cnc5ccccc5c4)cc3)Cc2cc1OC Show InChI InChI=1S/C38H38N4O6/c1-45-33-18-25-14-16-42(23-28(25)19-34(33)46-2)15-13-24-9-11-29(12-10-24)40-38(44)30-20-35(47-3)36(48-4)21-32(30)41-37(43)27-17-26-7-5-6-8-31(26)39-22-27/h5-12,17-22H,13-16,23H2,1-4H3,(H,40,44)(H,41,43)	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	0.220	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				3D Structure (crystal)
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50075373 (1N-{4-[2-(6,7-dimethoxy-1,2,3,4-tetrahydro-2-isoqu...) Show SMILES COc1cc2CCN(CCc3ccc(NC(=O)c4cc(OC)c(OC)cc4NC(=O)c4cnc5ccccc5c4)cc3)Cc2cc1OC Show InChI InChI=1S/C38H38N4O6/c1-45-33-18-25-14-16-42(23-28(25)19-34(33)46-2)15-13-24-9-11-29(12-10-24)40-38(44)30-20-35(47-3)36(48-4)21-32(30)41-37(43)27-17-26-7-5-6-8-31(26)39-22-27/h5-12,17-22H,13-16,23H2,1-4H3,(H,40,44)(H,41,43)	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	0.260	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				3D Structure (crystal)
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50075373 (1N-{4-[2-(6,7-dimethoxy-1,2,3,4-tetrahydro-2-isoqu...) Show SMILES COc1cc2CCN(CCc3ccc(NC(=O)c4cc(OC)c(OC)cc4NC(=O)c4cnc5ccccc5c4)cc3)Cc2cc1OC Show InChI InChI=1S/C38H38N4O6/c1-45-33-18-25-14-16-42(23-28(25)19-34(33)46-2)15-13-24-9-11-29(12-10-24)40-38(44)30-20-35(47-3)36(48-4)21-32(30)41-37(43)27-17-26-7-5-6-8-31(26)39-22-27/h5-12,17-22H,13-16,23H2,1-4H3,(H,40,44)(H,41,43)	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	0.710	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				3D Structure (crystal)
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50570217 (CHEMBL4863423) Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)Cc4nccnc4[C@@](C)(COC(=O)CCC(=O)OCCOCCOCCOCCO)[C@]3([H])CC[C@@]12C)C(=O)OCc1ccccc1 |r,t:15| Show InChI	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.790	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))	BDBM50570217 (CHEMBL4863423) Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)Cc4nccnc4[C@@](C)(COC(=O)CCC(=O)OCCOCCOCCOCCO)[C@]3([H])CC[C@@]12C)C(=O)OCc1ccccc1 |r,t:15| Show InChI	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.890	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))	BDBM50506874 (CHEMBL4161103) Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)Cc4nccnc4[C@@](C)(CO)[C@]3([H])CC[C@@]12C)C(=O)OCc1ccccc1 |r,t:15| Show InChI InChI=1S/C39H52N2O3/c1-34(2)16-18-39(33(43)44-24-26-10-8-7-9-11-26)19-17-37(5)27(28(39)22-34)12-13-31-35(3)23-29-32(41-21-20-40-29)36(4,25-42)30(35)14-15-38(31,37)6/h7-12,20-21,28,30-31,42H,13-19,22-25H2,1-6H3/t28-,30+,31+,35-,36-,37+,38+,39-/m0/s1	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.5	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))	BDBM50075373 (1N-{4-[2-(6,7-dimethoxy-1,2,3,4-tetrahydro-2-isoqu...) Show SMILES COc1cc2CCN(CCc3ccc(NC(=O)c4cc(OC)c(OC)cc4NC(=O)c4cnc5ccccc5c4)cc3)Cc2cc1OC Show InChI InChI=1S/C38H38N4O6/c1-45-33-18-25-14-16-42(23-28(25)19-34(33)46-2)15-13-24-9-11-29(12-10-24)40-38(44)30-20-35(47-3)36(48-4)21-32(30)41-37(43)27-17-26-7-5-6-8-31(26)39-22-27/h5-12,17-22H,13-16,23H2,1-4H3,(H,40,44)(H,41,43)	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Reversal of P-glycoprotein mediated multidrug resistance in human 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				3D Structure (crystal)
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50506874 (CHEMBL4161103) Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)Cc4nccnc4[C@@](C)(CO)[C@]3([H])CC[C@@]12C)C(=O)OCc1ccccc1 |r,t:15| Show InChI InChI=1S/C39H52N2O3/c1-34(2)16-18-39(33(43)44-24-26-10-8-7-9-11-26)19-17-37(5)27(28(39)22-34)12-13-31-35(3)23-29-32(41-21-20-40-29)36(4,25-42)30(35)14-15-38(31,37)6/h7-12,20-21,28,30-31,42H,13-19,22-25H2,1-6H3/t28-,30+,31+,35-,36-,37+,38+,39-/m0/s1	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.20	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	Purchase 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))	BDBM50075373 (1N-{4-[2-(6,7-dimethoxy-1,2,3,4-tetrahydro-2-isoqu...) Show SMILES COc1cc2CCN(CCc3ccc(NC(=O)c4cc(OC)c(OC)cc4NC(=O)c4cnc5ccccc5c4)cc3)Cc2cc1OC Show InChI InChI=1S/C38H38N4O6/c1-45-33-18-25-14-16-42(23-28(25)19-34(33)46-2)15-13-24-9-11-29(12-10-24)40-38(44)30-20-35(47-3)36(48-4)21-32(30)41-37(43)27-17-26-7-5-6-8-31(26)39-22-27/h5-12,17-22H,13-16,23H2,1-4H3,(H,40,44)(H,41,43)	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Reversal of P-glycoprotein mediated multidrug resistance in human 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				3D Structure (crystal)
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50075373 (1N-{4-[2-(6,7-dimethoxy-1,2,3,4-tetrahydro-2-isoqu...) Show SMILES COc1cc2CCN(CCc3ccc(NC(=O)c4cc(OC)c(OC)cc4NC(=O)c4cnc5ccccc5c4)cc3)Cc2cc1OC Show InChI InChI=1S/C38H38N4O6/c1-45-33-18-25-14-16-42(23-28(25)19-34(33)46-2)15-13-24-9-11-29(12-10-24)40-38(44)30-20-35(47-3)36(48-4)21-32(30)41-37(43)27-17-26-7-5-6-8-31(26)39-22-27/h5-12,17-22H,13-16,23H2,1-4H3,(H,40,44)(H,41,43)	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	3.30	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 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				3D Structure (crystal)
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50570217 (CHEMBL4863423) Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)Cc4nccnc4[C@@](C)(COC(=O)CCC(=O)OCCOCCOCCOCCO)[C@]3([H])CC[C@@]12C)C(=O)OCc1ccccc1 |r,t:15| Show InChI	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	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))	BDBM50075373 (1N-{4-[2-(6,7-dimethoxy-1,2,3,4-tetrahydro-2-isoqu...) Show SMILES COc1cc2CCN(CCc3ccc(NC(=O)c4cc(OC)c(OC)cc4NC(=O)c4cnc5ccccc5c4)cc3)Cc2cc1OC Show InChI InChI=1S/C38H38N4O6/c1-45-33-18-25-14-16-42(23-28(25)19-34(33)46-2)15-13-24-9-11-29(12-10-24)40-38(44)30-20-35(47-3)36(48-4)21-32(30)41-37(43)27-17-26-7-5-6-8-31(26)39-22-27/h5-12,17-22H,13-16,23H2,1-4H3,(H,40,44)(H,41,43)	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	4.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Reversal of P-glycoprotein mediated multidrug resistance in human 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				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	Purchase 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))	BDBM50570217 (CHEMBL4863423) Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)Cc4nccnc4[C@@](C)(COC(=O)CCC(=O)OCCOCCOCCOCCO)[C@]3([H])CC[C@@]12C)C(=O)OCc1ccccc1 |r,t:15| Show InChI	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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 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))	BDBM50570217 (CHEMBL4863423) Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)Cc4nccnc4[C@@](C)(COC(=O)CCC(=O)OCCOCCOCCOCCO)[C@]3([H])CC[C@@]12C)C(=O)OCc1ccccc1 |r,t:15| Show InChI	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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	Purchase 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))	BDBM50570217 (CHEMBL4863423) Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)Cc4nccnc4[C@@](C)(COC(=O)CCC(=O)OCCOCCOCCOCCO)[C@]3([H])CC[C@@]12C)C(=O)OCc1ccccc1 |r,t:15| Show InChI	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.40	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))	BDBM50506874 (CHEMBL4161103) Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)Cc4nccnc4[C@@](C)(CO)[C@]3([H])CC[C@@]12C)C(=O)OCc1ccccc1 |r,t:15| Show InChI InChI=1S/C39H52N2O3/c1-34(2)16-18-39(33(43)44-24-26-10-8-7-9-11-26)19-17-37(5)27(28(39)22-34)12-13-31-35(3)23-29-32(41-21-20-40-29)36(4,25-42)30(35)14-15-38(31,37)6/h7-12,20-21,28,30-31,42H,13-19,22-25H2,1-6H3/t28-,30+,31+,35-,36-,37+,38+,39-/m0/s1	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.90	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))	BDBM50075373 (1N-{4-[2-(6,7-dimethoxy-1,2,3,4-tetrahydro-2-isoqu...) Show SMILES COc1cc2CCN(CCc3ccc(NC(=O)c4cc(OC)c(OC)cc4NC(=O)c4cnc5ccccc5c4)cc3)Cc2cc1OC Show InChI InChI=1S/C38H38N4O6/c1-45-33-18-25-14-16-42(23-28(25)19-34(33)46-2)15-13-24-9-11-29(12-10-24)40-38(44)30-20-35(47-3)36(48-4)21-32(30)41-37(43)27-17-26-7-5-6-8-31(26)39-22-27/h5-12,17-22H,13-16,23H2,1-4H3,(H,40,44)(H,41,43)	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	7.60	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 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				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	Purchase 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	Purchase 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))	BDBM50506874 (CHEMBL4161103) Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)Cc4nccnc4[C@@](C)(CO)[C@]3([H])CC[C@@]12C)C(=O)OCc1ccccc1 |r,t:15| Show InChI InChI=1S/C39H52N2O3/c1-34(2)16-18-39(33(43)44-24-26-10-8-7-9-11-26)19-17-37(5)27(28(39)22-34)12-13-31-35(3)23-29-32(41-21-20-40-29)36(4,25-42)30(35)14-15-38(31,37)6/h7-12,20-21,28,30-31,42H,13-19,22-25H2,1-6H3/t28-,30+,31+,35-,36-,37+,38+,39-/m0/s1	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	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	Purchase 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))	BDBM50506874 (CHEMBL4161103) Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)Cc4nccnc4[C@@](C)(CO)[C@]3([H])CC[C@@]12C)C(=O)OCc1ccccc1 |r,t:15| Show InChI InChI=1S/C39H52N2O3/c1-34(2)16-18-39(33(43)44-24-26-10-8-7-9-11-26)19-17-37(5)27(28(39)22-34)12-13-31-35(3)23-29-32(41-21-20-40-29)36(4,25-42)30(35)14-15-38(31,37)6/h7-12,20-21,28,30-31,42H,13-19,22-25H2,1-6H3/t28-,30+,31+,35-,36-,37+,38+,39-/m0/s1	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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 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))	BDBM50506874 (CHEMBL4161103) Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)Cc4nccnc4[C@@](C)(CO)[C@]3([H])CC[C@@]12C)C(=O)OCc1ccccc1 |r,t:15| Show InChI InChI=1S/C39H52N2O3/c1-34(2)16-18-39(33(43)44-24-26-10-8-7-9-11-26)19-17-37(5)27(28(39)22-34)12-13-31-35(3)23-29-32(41-21-20-40-29)36(4,25-42)30(35)14-15-38(31,37)6/h7-12,20-21,28,30-31,42H,13-19,22-25H2,1-6H3/t28-,30+,31+,35-,36-,37+,38+,39-/m0/s1	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	17	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))	BDBM50570217 (CHEMBL4863423) Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)Cc4nccnc4[C@@](C)(COC(=O)CCC(=O)OCCOCCOCCOCCO)[C@]3([H])CC[C@@]12C)C(=O)OCc1ccccc1 |r,t:15| Show InChI	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	22	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	Purchase 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	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	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

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