Compile Data Set for Download or QSAR

Found 30 hits with Last Name = 'domracheva' and Initial = 'i'   

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
Multidrug resistance-associated protein 1 (Homo sapiens (Human))	BDBM50030659 (CHEMBL3342116) Show SMILES CCOC(=O)c1c(C)nc2sc(C(=O)c3ccccc3)c(N)c2c1-c1cc(OC)c(OC)c(OC)c1 Show InChI InChI=1S/C27H26N2O6S/c1-6-35-27(31)19-14(2)29-26-21(22(28)25(36-26)23(30)15-10-8-7-9-11-15)20(19)16-12-17(32-3)24(34-5)18(13-16)33-4/h7-13H,6,28H2,1-5H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	5.20E+3	n/a	n/a	n/a	n/a
Institute of Organic Synthesis Curated by ChEMBL					Assay Description Modulation of MRP1 mediated drug efflux in doxorubicin-resistant human H69 cells assessed as accumulation of calcein AM incubated for 15 mins prior t...				Bioorg Med Chem 22: 5860-70 (2014) Article DOI: 10.1016/j.bmc.2014.09.023 BindingDB Entry DOI: 10.7270/Q24F1SBQ
					More data for this Ligand-Target Pair
Multidrug resistance-associated protein 1 (Homo sapiens (Human))	BDBM50030734 (CHEMBL3342110) Show SMILES COC(=O)c1c(C)nc2sc(C(=O)c3ccc(OC)cc3OC)c(N)c2c1-c1ccc(OC)c(OC)c1 Show InChI InChI=1S/C27H26N2O7S/c1-13-20(27(31)36-6)21(14-7-10-17(33-3)19(11-14)35-5)22-23(28)25(37-26(22)29-13)24(30)16-9-8-15(32-2)12-18(16)34-4/h7-12H,28H2,1-6H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	4.14E+4	n/a	n/a	n/a	n/a
Institute of Organic Synthesis Curated by ChEMBL					Assay Description Modulation of MRP1 mediated drug efflux in doxorubicin-resistant human H69 cells assessed as accumulation of calcein AM incubated for 15 mins prior t...				Bioorg Med Chem 22: 5860-70 (2014) Article DOI: 10.1016/j.bmc.2014.09.023 BindingDB Entry DOI: 10.7270/Q24F1SBQ
					More data for this Ligand-Target Pair
Multidrug resistance-associated protein 1 (Homo sapiens (Human))	BDBM50030671 (CHEMBL3342118) Show SMILES CCOC(=O)c1c(C)nc2sc(C(=O)c3ccc(OC)cc3OC)c(N)c2c1-c1cc(OC)c(OC)c(OC)c1 Show InChI InChI=1S/C29H30N2O8S/c1-8-39-29(33)21-14(2)31-28-23(22(21)15-11-19(36-5)26(38-7)20(12-15)37-6)24(30)27(40-28)25(32)17-10-9-16(34-3)13-18(17)35-4/h9-13H,8,30H2,1-7H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.24E+4	n/a	n/a	n/a	n/a
Institute of Organic Synthesis Curated by ChEMBL					Assay Description Modulation of MRP1 mediated drug efflux in doxorubicin-resistant human H69 cells assessed as accumulation of calcein AM incubated for 15 mins prior t...				Bioorg Med Chem 22: 5860-70 (2014) Article DOI: 10.1016/j.bmc.2014.09.023 BindingDB Entry DOI: 10.7270/Q24F1SBQ
					More data for this Ligand-Target Pair
Multidrug resistance-associated protein 1 (Homo sapiens (Human))	BDBM50030672 (CHEMBL3342123) Show SMILES COCCOC(=O)c1c(C)nc2sc(C(=O)c3ccccc3)c(N)c2c1-c1cc(OC)c(OC)c(OC)c1 Show InChI InChI=1S/C28H28N2O7S/c1-15-20(28(32)37-12-11-33-2)21(17-13-18(34-3)25(36-5)19(14-17)35-4)22-23(29)26(38-27(22)30-15)24(31)16-9-7-6-8-10-16/h6-10,13-14H,11-12,29H2,1-5H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	3.90E+3	n/a	n/a	n/a	n/a
Institute of Organic Synthesis Curated by ChEMBL					Assay Description Modulation of MRP1 mediated drug efflux in doxorubicin-resistant human H69 cells assessed as accumulation of calcein AM incubated for 15 mins prior t...				Bioorg Med Chem 22: 5860-70 (2014) Article DOI: 10.1016/j.bmc.2014.09.023 BindingDB Entry DOI: 10.7270/Q24F1SBQ
					More data for this Ligand-Target Pair
Multidrug resistance-associated protein 1 (Homo sapiens (Human))	BDBM50030673 (CHEMBL3342124) Show SMILES COCCOC(=O)c1c(C)nc2sc(C(=O)c3ccc(OC)cc3)c(N)c2c1-c1cc(OC)c(OC)c(OC)c1 Show InChI InChI=1S/C29H30N2O8S/c1-15-21(29(33)39-12-11-34-2)22(17-13-19(36-4)26(38-6)20(14-17)37-5)23-24(30)27(40-28(23)31-15)25(32)16-7-9-18(35-3)10-8-16/h7-10,13-14H,11-12,30H2,1-6H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a
Institute of Organic Synthesis Curated by ChEMBL					Assay Description Modulation of MRP1 mediated drug efflux in doxorubicin-resistant human H69 cells assessed as accumulation of calcein AM incubated for 15 mins prior t...				Bioorg Med Chem 22: 5860-70 (2014) Article DOI: 10.1016/j.bmc.2014.09.023 BindingDB Entry DOI: 10.7270/Q24F1SBQ
					More data for this Ligand-Target Pair
Multidrug resistance-associated protein 1 (Homo sapiens (Human))	BDBM50030675 (CHEMBL3342125) Show SMILES COCCOC(=O)c1c(C)nc2sc(C(=O)c3ccc(OC)cc3OC)c(N)c2c1-c1cc(OC)c(OC)c(OC)c1 Show InChI InChI=1S/C30H32N2O9S/c1-15-22(30(34)41-11-10-35-2)23(16-12-20(38-5)27(40-7)21(13-16)39-6)24-25(31)28(42-29(24)32-15)26(33)18-9-8-17(36-3)14-19(18)37-4/h8-9,12-14H,10-11,31H2,1-7H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a
Institute of Organic Synthesis Curated by ChEMBL					Assay Description Modulation of MRP1 mediated drug efflux in doxorubicin-resistant human H69 cells assessed as accumulation of calcein AM incubated for 15 mins prior t...				Bioorg Med Chem 22: 5860-70 (2014) Article DOI: 10.1016/j.bmc.2014.09.023 BindingDB Entry DOI: 10.7270/Q24F1SBQ
					More data for this Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2 (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 NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	DrugBank Article PubMed	n/a	n/a	n/a	n/a	3.73E+4	n/a	n/a	n/a	n/a
Institute of Organic Synthesis Curated by ChEMBL					Assay Description Modulation of BCRP1 mediated drug efflux in mitoxantrone-resistant human MES-SA cells assessed as accumulation of hoechst 33342 incubated for 15 mins...				Bioorg Med Chem 22: 5860-70 (2014) Article DOI: 10.1016/j.bmc.2014.09.023 BindingDB Entry DOI: 10.7270/Q24F1SBQ
					More data for this Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human))	BDBM50030677 (CHEMBL3344541) Show SMILES COc1ccc(cc1)C(=O)c1sc2nc(C)c(C(C)=O)c(-c3cc(OC)c(OC)c(OC)c3)c2c1N Show InChI InChI=1S/C27H26N2O6S/c1-13-20(14(2)30)21(16-11-18(33-4)25(35-6)19(12-16)34-5)22-23(28)26(36-27(22)29-13)24(31)15-7-9-17(32-3)10-8-15/h7-12H,28H2,1-6H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a
Institute of Organic Synthesis Curated by ChEMBL					Assay Description Modulation of BCRP1 mediated drug efflux in mitoxantrone-resistant human MES-SA cells assessed as accumulation of hoechst 33342 incubated for 15 mins...				Bioorg Med Chem 22: 5860-70 (2014) Article DOI: 10.1016/j.bmc.2014.09.023 BindingDB Entry DOI: 10.7270/Q24F1SBQ
					More data for this Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human))	BDBM50030678 (CHEMBL3344542) Show SMILES COC(=O)c1c(C)nc2sc(C(=O)c3ccc(OC)cc3)c(N)c2c1-c1ccc(OC)cc1 Show InChI InChI=1S/C25H22N2O5S/c1-13-18(25(29)32-4)19(14-5-9-16(30-2)10-6-14)20-21(26)23(33-24(20)27-13)22(28)15-7-11-17(31-3)12-8-15/h5-12H,26H2,1-4H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	700	n/a	n/a	n/a	n/a
Institute of Organic Synthesis Curated by ChEMBL					Assay Description Modulation of BCRP1 mediated drug efflux in mitoxantrone-resistant human MES-SA cells assessed as accumulation of hoechst 33342 incubated for 15 mins...				Bioorg Med Chem 22: 5860-70 (2014) Article DOI: 10.1016/j.bmc.2014.09.023 BindingDB Entry DOI: 10.7270/Q24F1SBQ
					More data for this Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human))	BDBM50030679 (CHEMBL3344543) Show SMILES COC(=O)c1c(C)nc2sc(C(=O)c3ccc(OC)cc3)c(N)c2c1-c1ccc(OC)c(OC)c1 Show InChI InChI=1S/C26H24N2O6S/c1-13-19(26(30)34-5)20(15-8-11-17(32-3)18(12-15)33-4)21-22(27)24(35-25(21)28-13)23(29)14-6-9-16(31-2)10-7-14/h6-12H,27H2,1-5H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	3.60E+3	n/a	n/a	n/a	n/a
Institute of Organic Synthesis Curated by ChEMBL					Assay Description Modulation of BCRP1 mediated drug efflux in mitoxantrone-resistant human MES-SA cells assessed as accumulation of hoechst 33342 incubated for 15 mins...				Bioorg Med Chem 22: 5860-70 (2014) Article DOI: 10.1016/j.bmc.2014.09.023 BindingDB Entry DOI: 10.7270/Q24F1SBQ
					More data for this Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human))	BDBM50030734 (CHEMBL3342110) Show SMILES COC(=O)c1c(C)nc2sc(C(=O)c3ccc(OC)cc3OC)c(N)c2c1-c1ccc(OC)c(OC)c1 Show InChI InChI=1S/C27H26N2O7S/c1-13-20(27(31)36-6)21(14-7-10-17(33-3)19(11-14)35-5)22-23(28)25(37-26(22)29-13)24(30)16-9-8-15(32-2)12-18(16)34-4/h7-12H,28H2,1-6H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	4.10E+3	n/a	n/a	n/a	n/a
Institute of Organic Synthesis Curated by ChEMBL					Assay Description Modulation of BCRP1 mediated drug efflux in mitoxantrone-resistant human MES-SA cells assessed as accumulation of hoechst 33342 incubated for 15 mins...				Bioorg Med Chem 22: 5860-70 (2014) Article DOI: 10.1016/j.bmc.2014.09.023 BindingDB Entry DOI: 10.7270/Q24F1SBQ
					More data for this Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human))	BDBM50030735 (CHEMBL3342113) Show SMILES CCOC(=O)c1c(C)nc2sc(C(=O)c3ccc(OC)cc3)c(N)c2c1-c1ccc(OC)cc1 Show InChI InChI=1S/C26H24N2O5S/c1-5-33-26(30)19-14(2)28-25-21(20(19)15-6-10-17(31-3)11-7-15)22(27)24(34-25)23(29)16-8-12-18(32-4)13-9-16/h6-13H,5,27H2,1-4H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	400	n/a	n/a	n/a	n/a
Institute of Organic Synthesis Curated by ChEMBL					Assay Description Modulation of BCRP1 mediated drug efflux in mitoxantrone-resistant human MES-SA cells assessed as accumulation of hoechst 33342 incubated for 15 mins...				Bioorg Med Chem 22: 5860-70 (2014) Article DOI: 10.1016/j.bmc.2014.09.023 BindingDB Entry DOI: 10.7270/Q24F1SBQ
					More data for this Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human))	BDBM50030659 (CHEMBL3342116) Show SMILES CCOC(=O)c1c(C)nc2sc(C(=O)c3ccccc3)c(N)c2c1-c1cc(OC)c(OC)c(OC)c1 Show InChI InChI=1S/C27H26N2O6S/c1-6-35-27(31)19-14(2)29-26-21(22(28)25(36-26)23(30)15-10-8-7-9-11-15)20(19)16-12-17(32-3)24(34-5)18(13-16)33-4/h7-13H,6,28H2,1-5H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a
Institute of Organic Synthesis Curated by ChEMBL					Assay Description Modulation of BCRP1 mediated drug efflux in mitoxantrone-resistant human MES-SA cells assessed as accumulation of hoechst 33342 incubated for 15 mins...				Bioorg Med Chem 22: 5860-70 (2014) Article DOI: 10.1016/j.bmc.2014.09.023 BindingDB Entry DOI: 10.7270/Q24F1SBQ
					More data for this Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human))	BDBM50030661 (CHEMBL3342117) Show SMILES CCOC(=O)c1c(C)nc2sc(C(=O)c3ccc(OC)cc3)c(N)c2c1-c1cc(OC)c(OC)c(OC)c1 Show InChI InChI=1S/C28H28N2O7S/c1-7-37-28(32)20-14(2)30-27-22(21(20)16-12-18(34-4)25(36-6)19(13-16)35-5)23(29)26(38-27)24(31)15-8-10-17(33-3)11-9-15/h8-13H,7,29H2,1-6H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	700	n/a	n/a	n/a	n/a
Institute of Organic Synthesis Curated by ChEMBL					Assay Description Modulation of BCRP1 mediated drug efflux in mitoxantrone-resistant human MES-SA cells assessed as accumulation of hoechst 33342 incubated for 15 mins...				Bioorg Med Chem 22: 5860-70 (2014) Article DOI: 10.1016/j.bmc.2014.09.023 BindingDB Entry DOI: 10.7270/Q24F1SBQ
					More data for this Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human))	BDBM50030671 (CHEMBL3342118) Show SMILES CCOC(=O)c1c(C)nc2sc(C(=O)c3ccc(OC)cc3OC)c(N)c2c1-c1cc(OC)c(OC)c(OC)c1 Show InChI InChI=1S/C29H30N2O8S/c1-8-39-29(33)21-14(2)31-28-23(22(21)15-11-19(36-5)26(38-7)20(12-15)37-6)24(30)27(40-28)25(32)17-10-9-16(34-3)13-18(17)35-4/h9-13H,8,30H2,1-7H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a
Institute of Organic Synthesis Curated by ChEMBL					Assay Description Modulation of BCRP1 mediated drug efflux in mitoxantrone-resistant human MES-SA cells assessed as accumulation of hoechst 33342 incubated for 15 mins...				Bioorg Med Chem 22: 5860-70 (2014) Article DOI: 10.1016/j.bmc.2014.09.023 BindingDB Entry DOI: 10.7270/Q24F1SBQ
					More data for this Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human))	BDBM50030736 (CHEMBL3342119) Show SMILES CCOC(=O)c1c(C)nc2sc(C(=O)c3ccc(OC)cc3)c(N)c2c1-c1ccc(OCC)cc1 Show InChI InChI=1S/C27H26N2O5S/c1-5-33-19-13-7-16(8-14-19)21-20(27(31)34-6-2)15(3)29-26-22(21)23(28)25(35-26)24(30)17-9-11-18(32-4)12-10-17/h7-14H,5-6,28H2,1-4H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a
Institute of Organic Synthesis Curated by ChEMBL					Assay Description Modulation of BCRP1 mediated drug efflux in mitoxantrone-resistant human MES-SA cells assessed as accumulation of hoechst 33342 incubated for 15 mins...				Bioorg Med Chem 22: 5860-70 (2014) Article DOI: 10.1016/j.bmc.2014.09.023 BindingDB Entry DOI: 10.7270/Q24F1SBQ
					More data for this Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human))	BDBM50030737 (CHEMBL3342121) Show SMILES CCCCOC(=O)c1c(C)nc2sc(C(=O)c3ccc(OC)cc3)c(N)c2c1-c1cc(OC)c(OC)c(OC)c1 Show InChI InChI=1S/C30H32N2O7S/c1-7-8-13-39-30(34)22-16(2)32-29-24(23(22)18-14-20(36-4)27(38-6)21(15-18)37-5)25(31)28(40-29)26(33)17-9-11-19(35-3)12-10-17/h9-12,14-15H,7-8,13,31H2,1-6H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	400	n/a	n/a	n/a	n/a
Institute of Organic Synthesis Curated by ChEMBL					Assay Description Modulation of BCRP1 mediated drug efflux in mitoxantrone-resistant human MES-SA cells assessed as accumulation of hoechst 33342 incubated for 15 mins...				Bioorg Med Chem 22: 5860-70 (2014) Article DOI: 10.1016/j.bmc.2014.09.023 BindingDB Entry DOI: 10.7270/Q24F1SBQ
					More data for this Ligand-Target Pair
Multidrug resistance-associated protein 1 (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 GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.78E+4	n/a	n/a	n/a	n/a
Institute of Organic Synthesis Curated by ChEMBL					Assay Description Modulation of MRP1 mediated drug efflux in doxorubicin-resistant human H69 cells assessed as accumulation of calcein AM incubated for 15 mins prior t...				Bioorg Med Chem 22: 5860-70 (2014) Article DOI: 10.1016/j.bmc.2014.09.023 BindingDB Entry DOI: 10.7270/Q24F1SBQ
					More data for this Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human))	BDBM50030738 (CHEMBL3342122) Show SMILES COCCOC(=O)c1c(C)nc2sc(C(=O)c3ccc(OC)cc3)c(N)c2c1-c1ccc(OC)cc1 Show InChI InChI=1S/C27H26N2O6S/c1-15-20(27(31)35-14-13-32-2)21(16-5-9-18(33-3)10-6-16)22-23(28)25(36-26(22)29-15)24(30)17-7-11-19(34-4)12-8-17/h5-12H,13-14,28H2,1-4H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	800	n/a	n/a	n/a	n/a
Institute of Organic Synthesis Curated by ChEMBL					Assay Description Modulation of BCRP1 mediated drug efflux in mitoxantrone-resistant human MES-SA cells assessed as accumulation of hoechst 33342 incubated for 15 mins...				Bioorg Med Chem 22: 5860-70 (2014) Article DOI: 10.1016/j.bmc.2014.09.023 BindingDB Entry DOI: 10.7270/Q24F1SBQ
					More data for this Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human))	BDBM50030672 (CHEMBL3342123) Show SMILES COCCOC(=O)c1c(C)nc2sc(C(=O)c3ccccc3)c(N)c2c1-c1cc(OC)c(OC)c(OC)c1 Show InChI InChI=1S/C28H28N2O7S/c1-15-20(28(32)37-12-11-33-2)21(17-13-18(34-3)25(36-5)19(14-17)35-4)22-23(29)26(38-27(22)30-15)24(31)16-9-7-6-8-10-16/h6-10,13-14H,11-12,29H2,1-5H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a
Institute of Organic Synthesis Curated by ChEMBL					Assay Description Modulation of BCRP1 mediated drug efflux in mitoxantrone-resistant human MES-SA cells assessed as accumulation of hoechst 33342 incubated for 15 mins...				Bioorg Med Chem 22: 5860-70 (2014) Article DOI: 10.1016/j.bmc.2014.09.023 BindingDB Entry DOI: 10.7270/Q24F1SBQ
					More data for this Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human))	BDBM50030673 (CHEMBL3342124) Show SMILES COCCOC(=O)c1c(C)nc2sc(C(=O)c3ccc(OC)cc3)c(N)c2c1-c1cc(OC)c(OC)c(OC)c1 Show InChI InChI=1S/C29H30N2O8S/c1-15-21(29(33)39-12-11-34-2)22(17-13-19(36-4)26(38-6)20(14-17)37-5)23-24(30)27(40-28(23)31-15)25(32)16-7-9-18(35-3)10-8-16/h7-10,13-14H,11-12,30H2,1-6H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	200	n/a	n/a	n/a	n/a
Institute of Organic Synthesis Curated by ChEMBL					Assay Description Modulation of BCRP1 mediated drug efflux in mitoxantrone-resistant human MES-SA cells assessed as accumulation of hoechst 33342 incubated for 15 mins...				Bioorg Med Chem 22: 5860-70 (2014) Article DOI: 10.1016/j.bmc.2014.09.023 BindingDB Entry DOI: 10.7270/Q24F1SBQ
					More data for this Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human))	BDBM50030675 (CHEMBL3342125) Show SMILES COCCOC(=O)c1c(C)nc2sc(C(=O)c3ccc(OC)cc3OC)c(N)c2c1-c1cc(OC)c(OC)c(OC)c1 Show InChI InChI=1S/C30H32N2O9S/c1-15-22(30(34)41-11-10-35-2)23(16-12-20(38-5)27(40-7)21(13-16)39-6)24-25(31)28(42-29(24)32-15)26(33)18-9-8-17(36-3)14-19(18)37-4/h8-9,12-14H,10-11,31H2,1-7H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a
Institute of Organic Synthesis Curated by ChEMBL					Assay Description Modulation of BCRP1 mediated drug efflux in mitoxantrone-resistant human MES-SA cells assessed as accumulation of hoechst 33342 incubated for 15 mins...				Bioorg Med Chem 22: 5860-70 (2014) Article DOI: 10.1016/j.bmc.2014.09.023 BindingDB Entry DOI: 10.7270/Q24F1SBQ
					More data for this Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human))	BDBM50030739 (CHEMBL3342127) Show SMILES CCCOCCOC(=O)c1c(C)nc2sc(C(=O)c3ccc(OC)cc3)c(N)c2c1-c1cc(OC)c(OC)c(OC)c1 Show InChI InChI=1S/C31H34N2O8S/c1-7-12-40-13-14-41-31(35)23-17(2)33-30-25(24(23)19-15-21(37-4)28(39-6)22(16-19)38-5)26(32)29(42-30)27(34)18-8-10-20(36-3)11-9-18/h8-11,15-16H,7,12-14,32H2,1-6H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	600	n/a	n/a	n/a	n/a
Institute of Organic Synthesis Curated by ChEMBL					Assay Description Modulation of BCRP1 mediated drug efflux in mitoxantrone-resistant human MES-SA cells assessed as accumulation of hoechst 33342 incubated for 15 mins...				Bioorg Med Chem 22: 5860-70 (2014) Article DOI: 10.1016/j.bmc.2014.09.023 BindingDB Entry DOI: 10.7270/Q24F1SBQ
					More data for this Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human))	BDBM50030740 (CHEMBL3342128) Show SMILES CCOC(=O)c1c(nc2sc(C(=O)c3ccc(OC)cc3)c(N)c2c1-c1cc(OC)c(OC)c(OC)c1)-c1cc(OC)c(OC)c(OC)c1 Show InChI InChI=1S/C36H36N2O10S/c1-9-48-36(40)28-26(19-14-22(42-3)32(46-7)23(15-19)43-4)27-29(37)34(31(39)18-10-12-21(41-2)13-11-18)49-35(27)38-30(28)20-16-24(44-5)33(47-8)25(17-20)45-6/h10-17H,9,37H2,1-8H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a
Institute of Organic Synthesis Curated by ChEMBL					Assay Description Modulation of BCRP1 mediated drug efflux in mitoxantrone-resistant human MES-SA cells assessed as accumulation of hoechst 33342 incubated for 15 mins...				Bioorg Med Chem 22: 5860-70 (2014) Article DOI: 10.1016/j.bmc.2014.09.023 BindingDB Entry DOI: 10.7270/Q24F1SBQ
					More data for this Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human))	BDBM50030741 (CHEMBL3342134) Show SMILES CCOC(=O)c1c(C)nc2oc(C(=O)c3ccc(OC)cc3)c(N)c2c1-c1cc(OC)c(OC)c(OC)c1 Show InChI InChI=1S/C28H28N2O8/c1-7-37-28(32)20-14(2)30-27-22(21(20)16-12-18(34-4)25(36-6)19(13-16)35-5)23(29)26(38-27)24(31)15-8-10-17(33-3)11-9-15/h8-13H,7,29H2,1-6H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	3.40E+3	n/a	n/a	n/a	n/a
Institute of Organic Synthesis Curated by ChEMBL					Assay Description Modulation of BCRP1 mediated drug efflux in mitoxantrone-resistant human MES-SA cells assessed as accumulation of hoechst 33342 incubated for 15 mins...				Bioorg Med Chem 22: 5860-70 (2014) Article DOI: 10.1016/j.bmc.2014.09.023 BindingDB Entry DOI: 10.7270/Q24F1SBQ
					More data for this Ligand-Target Pair
Multidrug resistance-associated protein 1 (Homo sapiens (Human))	BDBM50001285 ((E)-3-((3-(2-(7-chloroquinolin-2-yl)vinyl)phenyl)(...) Show SMILES CN(C)C(=O)CCSC(SCCC(O)=O)c1cccc(\C=C\c2ccc3ccc(Cl)cc3n2)c1 Show InChI InChI=1S/C26H27ClN2O3S2/c1-29(2)24(30)12-14-33-26(34-15-13-25(31)32)20-5-3-4-18(16-20)6-10-22-11-8-19-7-9-21(27)17-23(19)28-22/h3-11,16-17,26H,12-15H2,1-2H3,(H,31,32)/b10-6+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	1.24E+4	n/a	n/a	n/a	n/a
Institute of Organic Synthesis Curated by ChEMBL					Assay Description Modulation of MRP1 mediated drug efflux in doxorubicin-resistant human H69 cells assessed as accumulation of calcein AM incubated for 15 mins prior t...				Bioorg Med Chem 22: 5860-70 (2014) Article DOI: 10.1016/j.bmc.2014.09.023 BindingDB Entry DOI: 10.7270/Q24F1SBQ
					More data for this Ligand-Target Pair
Multidrug resistance-associated protein 1 (Homo sapiens (Human))	BDBM50030743 (CHEMBL1506885) Show SMILES O=C(NCCCN1CCOCC1)c1cnn2c(cc(nc12)-c1ccccc1)-c1ccccc1 Show InChI InChI=1S/C26H27N5O2/c32-26(27-12-7-13-30-14-16-33-17-15-30)22-19-28-31-24(21-10-5-2-6-11-21)18-23(29-25(22)31)20-8-3-1-4-9-20/h1-6,8-11,18-19H,7,12-17H2,(H,27,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	9.80E+3	n/a	n/a	n/a	n/a
Institute of Organic Synthesis Curated by ChEMBL					Assay Description Modulation of MRP1 mediated drug efflux in doxorubicin-resistant human H69 cells assessed as accumulation of calcein AM incubated for 15 mins prior t...				Bioorg Med Chem 22: 5860-70 (2014) Article DOI: 10.1016/j.bmc.2014.09.023 BindingDB Entry DOI: 10.7270/Q24F1SBQ
					More data for this Ligand-Target Pair
Multidrug resistance-associated protein 1 (Homo sapiens (Human))	BDBM50030677 (CHEMBL3344541) Show SMILES COc1ccc(cc1)C(=O)c1sc2nc(C)c(C(C)=O)c(-c3cc(OC)c(OC)c(OC)c3)c2c1N Show InChI InChI=1S/C27H26N2O6S/c1-13-20(14(2)30)21(16-11-18(33-4)25(35-6)19(12-16)34-5)22-23(28)26(36-27(22)29-13)24(31)15-7-9-17(32-3)10-8-15/h7-12H,28H2,1-6H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	6.60E+3	n/a	n/a	n/a	n/a
Institute of Organic Synthesis Curated by ChEMBL					Assay Description Modulation of MRP1 mediated drug efflux in doxorubicin-resistant human H69 cells assessed as accumulation of calcein AM incubated for 15 mins prior t...				Bioorg Med Chem 22: 5860-70 (2014) Article DOI: 10.1016/j.bmc.2014.09.023 BindingDB Entry DOI: 10.7270/Q24F1SBQ
					More data for this Ligand-Target Pair
Multidrug resistance-associated protein 1 (Homo sapiens (Human))	BDBM50030679 (CHEMBL3344543) Show SMILES COC(=O)c1c(C)nc2sc(C(=O)c3ccc(OC)cc3)c(N)c2c1-c1ccc(OC)c(OC)c1 Show InChI InChI=1S/C26H24N2O6S/c1-13-19(26(30)34-5)20(15-8-11-17(32-3)18(12-15)33-4)21-22(27)24(35-25(21)28-13)23(29)14-6-9-16(31-2)10-7-14/h6-12H,27H2,1-5H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	1.19E+4	n/a	n/a	n/a	n/a
Institute of Organic Synthesis Curated by ChEMBL					Assay Description Modulation of MRP1 mediated drug efflux in doxorubicin-resistant human H69 cells assessed as accumulation of calcein AM incubated for 15 mins prior t...				Bioorg Med Chem 22: 5860-70 (2014) Article DOI: 10.1016/j.bmc.2014.09.023 BindingDB Entry DOI: 10.7270/Q24F1SBQ
					More data for this Ligand-Target Pair
Multidrug resistance-associated protein 1 (Homo sapiens (Human))	BDBM50030661 (CHEMBL3342117) Show SMILES CCOC(=O)c1c(C)nc2sc(C(=O)c3ccc(OC)cc3)c(N)c2c1-c1cc(OC)c(OC)c(OC)c1 Show InChI InChI=1S/C28H28N2O7S/c1-7-37-28(32)20-14(2)30-27-22(21(20)16-12-18(34-4)25(36-6)19(13-16)35-5)23(29)26(38-27)24(31)15-8-10-17(33-3)11-9-15/h8-13H,7,29H2,1-6H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	5.20E+3	n/a	n/a	n/a	n/a
Institute of Organic Synthesis Curated by ChEMBL					Assay Description Modulation of MRP1 mediated drug efflux in doxorubicin-resistant human H69 cells assessed as accumulation of calcein AM incubated for 15 mins prior t...				Bioorg Med Chem 22: 5860-70 (2014) Article DOI: 10.1016/j.bmc.2014.09.023 BindingDB Entry DOI: 10.7270/Q24F1SBQ
					More data for this Ligand-Target Pair