Compile Data Set for Download or QSAR

Found 1625 hits of ic50 data for polymerid = 4026   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human))	BDBM469269 (US10807985, Compound 44) Show SMILES Cn1cc(cn1)-c1cc2c(ncnn2c1)N1CCN(CC1)c1ncc(cn1)[C@@](C)(N)c1ccc(F)cc1 |r| Show InChI InChI=1S/C26H27FN10/c1-26(28,20-3-5-22(27)6-4-20)21-13-29-25(30-14-21)36-9-7-35(8-10-36)24-23-11-18(16-37(23)33-17-31-24)19-12-32-34(2)15-19/h3-6,11-17H,7-10,28H2,1-2H3/t26-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114628 BindingDB Entry DOI: 10.7270/Q26114FP
					More data for this Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human))	BDBM50305083 (3-((3S,6S)-6-Isobutyl-9-methoxy-1,4-dioxo-1,2,3,4,...) Show SMILES COc1ccc2c3C[C@@H]4N([C@@H](CC(C)C)c3[nH]c2c1)C(=O)[C@H](CCC(=O)OC(C)(C)C)NC4=O |r| Show InChI InChI=1S/C26H35N3O5/c1-14(2)11-20-23-17(16-8-7-15(33-6)12-19(16)27-23)13-21-24(31)28-18(25(32)29(20)21)9-10-22(30)34-26(3,4)5/h7-8,12,14,18,20-21,27H,9-11,13H2,1-6H3,(H,28,31)/t18-,20-,21-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of human ABCG2 expressed in baculovirus infected Sf9 cell membrane assessed as inhibition of vanadate sensitive basal ATPase activity afte...				J Med Chem 59: 6121-35 (2016) Article DOI: 10.1021/acs.jmedchem.6b00035 BindingDB Entry DOI: 10.7270/Q28K7DK6
					More data for this Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human))	BDBM50545548 (CHEMBL4633247) Show SMILES [H][C@@]12Cc3c([nH]c4cc(OC)ccc34)[C@H](CC(C)C)N1C(=O)[C@H](CCOC(=O)C(C)(C)C)NC2=O |r| Show InChI InChI=1S/C26H35N3O5/c1-14(2)11-20-22-17(16-8-7-15(33-6)12-19(16)27-22)13-21-23(30)28-18(24(31)29(20)21)9-10-34-25(32)26(3,4)5/h7-8,12,14,18,20-21,27H,9-11,13H2,1-6H3,(H,28,30)/t18-,20-,21-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank 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
Taipei Chang Gung Memorial Hospital Curated by ChEMBL					Assay Description Reversal of human ABCG2-mediated multidrug resistance in HEK293/R482 cells assessed as effect on mitoxantrone-induced cytotoxicity by measuring mitox...				J Nat Prod 83: 1461-1472 (2020) Article DOI: 10.1021/acs.jnatprod.9b01022 BindingDB Entry DOI: 10.7270/Q27D2ZQP
					More data for this Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human))	BDBM50305083 (3-((3S,6S)-6-Isobutyl-9-methoxy-1,4-dioxo-1,2,3,4,...) Show SMILES COc1ccc2c3C[C@@H]4N([C@@H](CC(C)C)c3[nH]c2c1)C(=O)[C@H](CCC(=O)OC(C)(C)C)NC4=O |r| Show InChI InChI=1S/C26H35N3O5/c1-14(2)11-20-23-17(16-8-7-15(33-6)12-19(16)27-23)13-21-24(31)28-18(25(32)29(20)21)9-10-22(30)34-26(3,4)5/h7-8,12,14,18,20-21,27H,9-11,13H2,1-6H3,(H,28,31)/t18-,20-,21-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Membrane Research Group of the Hungarian Academy of Sciences Curated by ChEMBL					Assay Description TP_TRANSPORTER: efflux of Hoechst33342 in BCRP-expressing Sf9 cells				Mol Pharmacol 65: 1485-95 (2004) Article DOI: 10.1124/mol.65.6.1485 BindingDB Entry DOI: 10.7270/Q20V8F2J
					More data for this Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human))	BDBM50068270 ((E)-3-(4-hydroxy-2-methoxy-5-(2-methylbut-3-en-2-y...) Show SMILES COc1cc(O)c(cc1\C=C\C(=O)c1ccc(O)cc1)C(C)(C)C=C Show InChI InChI=1S/C21H22O4/c1-5-21(2,3)17-12-15(20(25-4)13-19(17)24)8-11-18(23)14-6-9-16(22)10-7-14/h5-13,22,24H,1H2,2-4H3/b11-8+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.20	n/a	n/a	n/a	n/a	n/a	n/a
Taipei Chang Gung Memorial Hospital Curated by ChEMBL					Assay Description Reversal of human ABCG2-mediated multidrug resistance in HEK293/R482 cells assessed as effect on mitoxantrone-induced cytotoxicity by measuring mitox...				J Nat Prod 83: 1461-1472 (2020) Article DOI: 10.1021/acs.jnatprod.9b01022 BindingDB Entry DOI: 10.7270/Q27D2ZQP
					More data for this Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human))	BDBM50068270 ((E)-3-(4-hydroxy-2-methoxy-5-(2-methylbut-3-en-2-y...) Show SMILES COc1cc(O)c(cc1\C=C\C(=O)c1ccc(O)cc1)C(C)(C)C=C Show InChI InChI=1S/C21H22O4/c1-5-21(2,3)17-12-15(20(25-4)13-19(17)24)8-11-18(23)14-6-9-16(22)10-7-14/h5-13,22,24H,1H2,2-4H3/b11-8+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7.10	n/a	n/a	n/a	n/a	n/a	n/a
Taipei Chang Gung Memorial Hospital Curated by ChEMBL					Assay Description Reversal of human ABCG2-mediated multidrug resistance in HEK293/R482 cells assessed as effect on mitoxantrone-induced cytotoxicity by measuring mitox...				J Nat Prod 83: 1461-1472 (2020) Article DOI: 10.1021/acs.jnatprod.9b01022 BindingDB Entry DOI: 10.7270/Q27D2ZQP
					More data for this Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human))	BDBM50068270 ((E)-3-(4-hydroxy-2-methoxy-5-(2-methylbut-3-en-2-y...) Show SMILES COc1cc(O)c(cc1\C=C\C(=O)c1ccc(O)cc1)C(C)(C)C=C Show InChI InChI=1S/C21H22O4/c1-5-21(2,3)17-12-15(20(25-4)13-19(17)24)8-11-18(23)14-6-9-16(22)10-7-14/h5-13,22,24H,1H2,2-4H3/b11-8+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7.80	n/a	n/a	n/a	n/a	n/a	n/a
Taipei Chang Gung Memorial Hospital Curated by ChEMBL					Assay Description Reversal of human ABCG2-mediated multidrug resistance in HEK293/R482 cells assessed as effect on mitoxantrone-induced cytotoxicity by measuring mitox...				J Nat Prod 83: 1461-1472 (2020) Article DOI: 10.1021/acs.jnatprod.9b01022 BindingDB Entry DOI: 10.7270/Q27D2ZQP
					More data for this Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human))	BDBM50507003 (CHEMBL4469532) Show SMILES N#Cc1cccc(Nc2nc(nc3ccccc23)-c2ccc[nH]2)c1 Show InChI InChI=1S/C19H13N5/c20-12-13-5-3-6-14(11-13)22-18-15-7-1-2-8-16(15)23-19(24-18)17-9-4-10-21-17/h1-11,21H,(H,22,23,24)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of GFP-fused human ABCG2 expressed in MDCK2 cells assessed as potentiation of mitoxantrone-induced cytotoxicity after 72 hrs by MTT assay				Eur J Med Chem 161: 506-525 (2019) Article DOI: 10.1016/j.ejmech.2018.10.026 BindingDB Entry DOI: 10.7270/Q23N26P9
					More data for this Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human))	BDBM50495396 (CHEMBL3110296) Show SMILES COc1ccc2[nH]cc(CCNC(=O)c3cc(=O)c4ccc(OCc5ccc(Br)cc5)cc4o3)c2c1 Show InChI InChI=1S/C28H23BrN2O5/c1-34-20-7-9-24-23(12-20)18(15-31-24)10-11-30-28(33)27-14-25(32)22-8-6-21(13-26(22)36-27)35-16-17-2-4-19(29)5-3-17/h2-9,12-15,31H,10-11,16H2,1H3,(H,30,33)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
BMSSI UMR 5086 CNRS/Universit£ Lyon 1 Curated by ChEMBL					Assay Description Inhibition of human ABCG2 expressed in Sf9 insect cell membranes assessed as inhibition of quercetin-stimulated ATPase activity after 30 mins by colo...				J Med Chem 56: 9849-60 (2013) Article DOI: 10.1021/jm401649j BindingDB Entry DOI: 10.7270/Q2RJ4NF5
					More data for this Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human))	BDBM50305083 (3-((3S,6S)-6-Isobutyl-9-methoxy-1,4-dioxo-1,2,3,4,...) Show SMILES COc1ccc2c3C[C@@H]4N([C@@H](CC(C)C)c3[nH]c2c1)C(=O)[C@H](CCC(=O)OC(C)(C)C)NC4=O |r| Show InChI InChI=1S/C26H35N3O5/c1-14(2)11-20-23-17(16-8-7-15(33-6)12-19(16)27-23)13-21-24(31)28-18(25(32)29(20)21)9-10-22(30)34-26(3,4)5/h7-8,12,14,18,20-21,27H,9-11,13H2,1-6H3,(H,28,31)/t18-,20-,21-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114346 BindingDB Entry DOI: 10.7270/Q2PZ5DT3
					More data for this Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human))	BDBM50505459 (CHEMBL4589907) Show SMILES COC(=O)c1cccc(COc2c(oc3ccccc3c2=O)-c2ccc(OCCOCCn3cc(CN(Cc4cn(CCOCCOc5ccc(cc5)-c5oc6ccccc6c(=O)c5OCc5cccc(c5)C(=O)OC)nn4)Cc4ccccc4)nn3)cc2)c1 Show InChI InChI=1S/C69H63N7O14/c1-81-68(79)52-16-10-14-48(38-52)45-87-66-62(77)58-18-6-8-20-60(58)89-64(66)50-22-26-56(27-23-50)85-36-34-83-32-30-75-43-54(70-72-75)41-74(40-47-12-4-3-5-13-47)42-55-44-76(73-71-55)31-33-84-35-37-86-57-28-24-51(25-29-57)65-67(63(78)59-19-7-9-21-61(59)90-65)88-46-49-15-11-17-53(39-49)69(80)82-2/h3-29,38-39,43-44H,30-37,40-42,45-46H2,1-2H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Hong Kong Polytechnic University Curated by ChEMBL					Assay Description Inhibition of BCRP (unknown origin) transfected in human HEK293/R2 cells assessed as potentiation of topotecan-induced cytotoxicity measured as topot...				J Med Chem 62: 8578-8608 (2019) Article DOI: 10.1021/acs.jmedchem.9b00963 BindingDB Entry DOI: 10.7270/Q28S4T5Q
					More data for this Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human))	BDBM50545548 (CHEMBL4633247) Show SMILES [H][C@@]12Cc3c([nH]c4cc(OC)ccc34)[C@H](CC(C)C)N1C(=O)[C@H](CCOC(=O)C(C)(C)C)NC2=O |r| Show InChI InChI=1S/C26H35N3O5/c1-14(2)11-20-22-17(16-8-7-15(33-6)12-19(16)27-22)13-21-23(30)28-18(24(31)29(20)21)9-10-34-25(32)26(3,4)5/h7-8,12,14,18,20-21,27H,9-11,13H2,1-6H3,(H,28,30)/t18-,20-,21-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Taipei Chang Gung Memorial Hospital Curated by ChEMBL					Assay Description Reversal of human ABCG2-mediated multidrug resistance in HEK293/R482 cells assessed as effect on topotecan-induced cytotoxicity by measuring topoteca...				J Nat Prod 83: 1461-1472 (2020) Article DOI: 10.1021/acs.jnatprod.9b01022 BindingDB Entry DOI: 10.7270/Q27D2ZQP
					More data for this Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human))	BDBM50068270 ((E)-3-(4-hydroxy-2-methoxy-5-(2-methylbut-3-en-2-y...) Show SMILES COc1cc(O)c(cc1\C=C\C(=O)c1ccc(O)cc1)C(C)(C)C=C Show InChI InChI=1S/C21H22O4/c1-5-21(2,3)17-12-15(20(25-4)13-19(17)24)8-11-18(23)14-6-9-16(22)10-7-14/h5-13,22,24H,1H2,2-4H3/b11-8+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Taipei Chang Gung Memorial Hospital Curated by ChEMBL					Assay Description Reversal of human ABCG2-mediated multidrug resistance in HEK293/R482 cells assessed as effect on mitoxantrone-induced cytotoxicity by measuring mitox...				J Nat Prod 83: 1461-1472 (2020) Article DOI: 10.1021/acs.jnatprod.9b01022 BindingDB Entry DOI: 10.7270/Q27D2ZQP
					More data for this Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human))	BDBM50505456 (CHEMBL4440681) Show SMILES COC(=O)c1cccc(COc2c(oc3ccccc3c2=O)-c2ccc(OCCOCCn3cc(CCCc4cn(CCOCCOc5ccc(cc5)-c5oc6ccccc6c(=O)c5OCc5cccc(c5)C(=O)OC)nn4)nn3)cc2)c1 Show InChI InChI=1S/C63H58N6O14/c1-74-62(72)46-12-7-10-42(36-46)40-80-60-56(70)52-16-3-5-18-54(52)82-58(60)44-20-24-50(25-21-44)78-34-32-76-30-28-68-38-48(64-66-68)14-9-15-49-39-69(67-65-49)29-31-77-33-35-79-51-26-22-45(23-27-51)59-61(57(71)53-17-4-6-19-55(53)83-59)81-41-43-11-8-13-47(37-43)63(73)75-2/h3-8,10-13,16-27,36-39H,9,14-15,28-35,40-41H2,1-2H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Hong Kong Polytechnic University Curated by ChEMBL					Assay Description Inhibition of BCRP (unknown origin) transfected in human HEK293/R2 cells assessed as potentiation of topotecan-induced cytotoxicity measured as topot...				J Med Chem 62: 8578-8608 (2019) Article DOI: 10.1021/acs.jmedchem.9b00963 BindingDB Entry DOI: 10.7270/Q28S4T5Q
					More data for this Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human))	BDBM50277402 (CHEMBL4170247) Show SMILES [O-][N+](=O)c1cccc(c1)-c1nc(Nc2ccc3OCCOc3c2)c2ccccc2n1 Show InChI InChI=1S/C22H16N4O4/c27-26(28)16-5-3-4-14(12-16)21-24-18-7-2-1-6-17(18)22(25-21)23-15-8-9-19-20(13-15)30-11-10-29-19/h1-9,12-13H,10-11H2,(H,23,24,25)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of ABCG2 ATPase activity (unknown origin) expressed in baculovirus infected high5 cell membranes after 20 mins by ascorbic acid ammonia mo...				Eur J Med Chem 139: 587-611 (2017) Article DOI: 10.1016/j.ejmech.2017.08.020 BindingDB Entry DOI: 10.7270/Q2R49T8R
					More data for this Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human))	BDBM50505460 (CHEMBL4474920) Show SMILES COC(=O)c1cccc(COc2c(oc3ccccc3c2=O)-c2ccc(OCCOCCn3cc(COCc4cn(CCOCCOc5ccc(cc5)-c5oc6ccccc6c(=O)c5OCc5cccc(c5)C(=O)OC)nn4)nn3)cc2)c1 Show InChI InChI=1S/C62H56N6O15/c1-73-61(71)45-11-7-9-41(33-45)37-80-59-55(69)51-13-3-5-15-53(51)82-57(59)43-17-21-49(22-18-43)78-31-29-75-27-25-67-35-47(63-65-67)39-77-40-48-36-68(66-64-48)26-28-76-30-32-79-50-23-19-44(20-24-50)58-60(56(70)52-14-4-6-16-54(52)83-58)81-38-42-10-8-12-46(34-42)62(72)74-2/h3-24,33-36H,25-32,37-40H2,1-2H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Hong Kong Polytechnic University Curated by ChEMBL					Assay Description Inhibition of BCRP (unknown origin) transfected in human HEK293/R2 cells assessed as potentiation of topotecan-induced cytotoxicity measured as topot...				J Med Chem 62: 8578-8608 (2019) Article DOI: 10.1021/acs.jmedchem.9b00963 BindingDB Entry DOI: 10.7270/Q28S4T5Q
					More data for this Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human))	BDBM50368349 (CHEMBL4172752) Show SMILES COc1cccc(c1)-c1nc(Nc2cccc(F)c2)c2cc(ccc2n1)[N+]([O-])=O Show InChI InChI=1S/C21H15FN4O3/c1-29-17-7-2-4-13(10-17)20-24-19-9-8-16(26(27)28)12-18(19)21(25-20)23-15-6-3-5-14(22)11-15/h2-12H,1H3,(H,23,24,25)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of c-terminal GFP-tagged human ABCG2 expressed in MDCK2 cells preincubated for 30 mins before Hoechst 33342 addition by Hoechst 33342 accu...				J Med Chem 61: 7952-7976 (2018) Article DOI: 10.1021/acs.jmedchem.8b01011 BindingDB Entry DOI: 10.7270/Q28C9ZTN
					More data for this Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human))	BDBM50305083 (3-((3S,6S)-6-Isobutyl-9-methoxy-1,4-dioxo-1,2,3,4,...) Show SMILES COc1ccc2c3C[C@@H]4N([C@@H](CC(C)C)c3[nH]c2c1)C(=O)[C@H](CCC(=O)OC(C)(C)C)NC4=O |r| Show InChI InChI=1S/C26H35N3O5/c1-14(2)11-20-23-17(16-8-7-15(33-6)12-19(16)27-23)13-21-24(31)28-18(25(32)29(20)21)9-10-22(30)34-26(3,4)5/h7-8,12,14,18,20-21,27H,9-11,13H2,1-6H3,(H,28,31)/t18-,20-,21-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Hong Kong Polytechnic University Curated by ChEMBL					Assay Description Inhibition of BCRP (unknown origin) transfected in human HEK293/R2 cells assessed as potentiation of topotecan-induced cytotoxicity measured as topot...				J Med Chem 62: 8578-8608 (2019) Article DOI: 10.1021/acs.jmedchem.9b00963 BindingDB Entry DOI: 10.7270/Q28S4T5Q
					More data for this Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human))	BDBM50305083 (3-((3S,6S)-6-Isobutyl-9-methoxy-1,4-dioxo-1,2,3,4,...) Show SMILES COc1ccc2c3C[C@@H]4N([C@@H](CC(C)C)c3[nH]c2c1)C(=O)[C@H](CCC(=O)OC(C)(C)C)NC4=O |r| Show InChI InChI=1S/C26H35N3O5/c1-14(2)11-20-23-17(16-8-7-15(33-6)12-19(16)27-23)13-21-24(31)28-18(25(32)29(20)21)9-10-22(30)34-26(3,4)5/h7-8,12,14,18,20-21,27H,9-11,13H2,1-6H3,(H,28,31)/t18-,20-,21-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
The Hong Kong Polytechnic University Curated by ChEMBL					Assay Description Modulation of BCRP (unknown origin) transfected in human HEK293/R2 cells assessed as potentiation of topotecan-induced cytotoxicity measured as topot...				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
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human))	BDBM50569927 (CHEMBL4851961) Show SMILES COc1cccc(CCn2c3-c4ccccc4C(=O)c3c3c(OCCCCOc4cccc5n(CCc6cccc(OC)c6)c6-c7ccccc7C(=O)c6c45)cccc23)c1 Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human ABCG2 transfected in human HEK293 cells assessed as inhibition of mitoxantrone efflux measured after 30 mins by FACS Calibur cyto...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113017 BindingDB Entry DOI: 10.7270/Q2VX0M95
					More data for this Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human))	BDBM50505458 (CHEMBL4453052) Show SMILES COC(=O)c1cccc(COc2c(oc3ccccc3c2=O)-c2ccc(OCCOCCn3cc(nn3)-c3cccc(c3)-c3cn(CCOCCOc4ccc(cc4)-c4oc5ccccc5c(=O)c4OCc4cccc(c4)C(=O)OC)nn3)cc2)c1 Show InChI InChI=1S/C66H56N6O14/c1-77-65(75)49-14-7-10-43(36-49)41-83-63-59(73)53-16-3-5-18-57(53)85-61(63)45-20-24-51(25-21-45)81-34-32-79-30-28-71-39-55(67-69-71)47-12-9-13-48(38-47)56-40-72(70-68-56)29-31-80-33-35-82-52-26-22-46(23-27-52)62-64(60(74)54-17-4-6-19-58(54)86-62)84-42-44-11-8-15-50(37-44)66(76)78-2/h3-27,36-40H,28-35,41-42H2,1-2H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Hong Kong Polytechnic University Curated by ChEMBL					Assay Description Inhibition of BCRP (unknown origin) transfected in human HEK293/R2 cells assessed as potentiation of topotecan-induced cytotoxicity measured as topot...				J Med Chem 62: 8578-8608 (2019) Article DOI: 10.1021/acs.jmedchem.9b00963 BindingDB Entry DOI: 10.7270/Q28S4T5Q
					More data for this Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human))	BDBM50536032 (CHEMBL4534001) Show SMILES COc1ccc(cc1)C(=O)N1CCc2c([nH]c3ccccc23)C1c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C25H20Cl2N2O2/c1-31-17-9-6-15(7-10-17)25(30)29-13-12-19-18-4-2-3-5-22(18)28-23(19)24(29)16-8-11-20(26)21(27)14-16/h2-11,14,24,28H,12-13H2,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of human ABCG2 expressed in baculovirus infected Sf9 cell membrane assessed as inhibition of vanadate sensitive basal ATPase activity afte...				J Med Chem 59: 6121-35 (2016) Article DOI: 10.1021/acs.jmedchem.6b00035 BindingDB Entry DOI: 10.7270/Q28K7DK6
					More data for this Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human))	BDBM50569931 (CHEMBL4852670) Show SMILES COc1cccc(CCn2c3-c4ccccc4C(=O)c3c3c(OCCCCCCOc4cccc5n(CCc6cccc(OC)c6)c6-c7ccccc7C(=O)c6c45)cccc23)c1 Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human ABCG2 transfected in human HEK293 cells assessed as inhibition of mitoxantrone efflux measured after 30 mins by FACS Calibur cyto...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113017 BindingDB Entry DOI: 10.7270/Q2VX0M95
					More data for this Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human))	BDBM50320491 (2-(3-CYANO-4-ISOBUTOXY-PHENYL)-4-METHYL-5-THIAZOLE...) Show SMILES CC(C)COc1ccc(cc1C#N)-c1nc(C)c(s1)C(O)=O Show InChI InChI=1S/C16H16N2O3S/c1-9(2)8-21-13-5-4-11(6-12(13)7-17)15-18-10(3)14(22-15)16(19)20/h4-6,9H,8H2,1-3H3,(H,19,20)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114346 BindingDB Entry DOI: 10.7270/Q2PZ5DT3
					More data for this Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human))	BDBM50305083 (3-((3S,6S)-6-Isobutyl-9-methoxy-1,4-dioxo-1,2,3,4,...) Show SMILES COc1ccc2c3C[C@@H]4N([C@@H](CC(C)C)c3[nH]c2c1)C(=O)[C@H](CCC(=O)OC(C)(C)C)NC4=O |r| Show InChI InChI=1S/C26H35N3O5/c1-14(2)11-20-23-17(16-8-7-15(33-6)12-19(16)27-23)13-21-24(31)28-18(25(32)29(20)21)9-10-22(30)34-26(3,4)5/h7-8,12,14,18,20-21,27H,9-11,13H2,1-6H3,(H,28,31)/t18-,20-,21-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of human ABCG2 expressed in baculovirus infected Sf9 cell membrane assessed as inhibition of vanadate sensitive quercetin-stimulated ATPas...				J Med Chem 59: 6121-35 (2016) Article DOI: 10.1021/acs.jmedchem.6b00035 BindingDB Entry DOI: 10.7270/Q28K7DK6
					More data for this Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human))	BDBM50368395 (CHEMBL4168022) Show SMILES Oc1cccc(Nc2nc(nc3ccc(cc23)[N+]([O-])=O)-c2cccc(c2)C(F)(F)F)c1 Show InChI InChI=1S/C21H13F3N4O3/c22-21(23,24)13-4-1-3-12(9-13)19-26-18-8-7-15(28(30)31)11-17(18)20(27-19)25-14-5-2-6-16(29)10-14/h1-11,29H,(H,25,26,27)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of c-terminal GFP-tagged human ABCG2 expressed in MDCK2 cells preincubated for 30 mins before Hoechst 33342 addition by Hoechst 33342 accu...				J Med Chem 61: 7952-7976 (2018) Article DOI: 10.1021/acs.jmedchem.8b01011 BindingDB Entry DOI: 10.7270/Q28C9ZTN
					More data for this Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human))	BDBM50368397 (CHEMBL4163310) Show SMILES COc1cccc(c1)-c1nc(Nc2ccc(cc2)C#N)c2cc(ccc2n1)[N+]([O-])=O Show InChI InChI=1S/C22H15N5O3/c1-30-18-4-2-3-15(11-18)21-25-20-10-9-17(27(28)29)12-19(20)22(26-21)24-16-7-5-14(13-23)6-8-16/h2-12H,1H3,(H,24,25,26)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of c-terminal GFP-tagged human ABCG2 expressed in MDCK2 cells preincubated for 30 mins before Hoechst 33342 addition by Hoechst 33342 accu...				J Med Chem 61: 7952-7976 (2018) Article DOI: 10.1021/acs.jmedchem.8b01011 BindingDB Entry DOI: 10.7270/Q28C9ZTN
					More data for this Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human))	BDBM50536024 (CHEMBL4536788) Show SMILES COc1ccc2[nH]c3C(N(CCc3c2c1)C(=O)c1ccccc1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C25H20Cl2N2O2/c1-31-17-8-10-22-19(14-17)18-11-12-29(25(30)15-5-3-2-4-6-15)24(23(18)28-22)16-7-9-20(26)21(27)13-16/h2-10,13-14,24,28H,11-12H2,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of human ABCG2 expressed in baculovirus infected Sf9 cell membrane assessed as inhibition of vanadate sensitive basal ATPase activity afte...				J Med Chem 59: 6121-35 (2016) Article DOI: 10.1021/acs.jmedchem.6b00035 BindingDB Entry DOI: 10.7270/Q28K7DK6
					More data for this Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human))	BDBM50368309 (CHEMBL4167856) Show SMILES COc1ccc(Nc2nc(nc3ccc(cc23)[N+]([O-])=O)-c2cccc(c2)C(F)(F)F)cc1OC Show InChI InChI=1S/C23H17F3N4O4/c1-33-19-9-6-15(11-20(19)34-2)27-22-17-12-16(30(31)32)7-8-18(17)28-21(29-22)13-4-3-5-14(10-13)23(24,25)26/h3-12H,1-2H3,(H,27,28,29)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of c-terminal GFP-tagged human ABCG2 expressed in MDCK2 cells preincubated for 30 mins before Hoechst 33342 addition by Hoechst 33342 accu...				J Med Chem 61: 7952-7976 (2018) Article DOI: 10.1021/acs.jmedchem.8b01011 BindingDB Entry DOI: 10.7270/Q28C9ZTN
					More data for this Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human))	BDBM50536030 (CHEMBL4483061) Show SMILES Clc1ccc(cc1Cl)C1N(CCc2c1[nH]c1ccccc21)C(=O)c1ccccc1 Show InChI InChI=1S/C24H18Cl2N2O/c25-19-11-10-16(14-20(19)26)23-22-18(17-8-4-5-9-21(17)27-22)12-13-28(23)24(29)15-6-2-1-3-7-15/h1-11,14,23,27H,12-13H2	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of human ABCG2 expressed in baculovirus infected Sf9 cell membrane assessed as inhibition of vanadate sensitive basal ATPase activity afte...				J Med Chem 59: 6121-35 (2016) Article DOI: 10.1021/acs.jmedchem.6b00035 BindingDB Entry DOI: 10.7270/Q28K7DK6
					More data for this Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human))	BDBM50569929 (CHEMBL4876781) Show SMILES COc1cccc(CCn2c3-c4ccccc4C(=O)c3c3c(OCCCCCCOc4ccc5C(=O)c6c7c(CC(C)CC7=O)n(CCc7ccccc7)c6-c5c4)cccc23)c1 Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human ABCG2 transfected in human HEK293 cells assessed as inhibition of mitoxantrone efflux measured after 30 mins by FACS Calibur cyto...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113017 BindingDB Entry DOI: 10.7270/Q2VX0M95
					More data for this Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human))	BDBM50368353 (CHEMBL4166754) Show SMILES Oc1ccc(Nc2nc(nc3ccc(cc23)[N+]([O-])=O)-c2cccc(c2)C(F)(F)F)cc1[N+]([O-])=O Show InChI InChI=1S/C21H12F3N5O5/c22-21(23,24)12-3-1-2-11(8-12)19-26-16-6-5-14(28(31)32)10-15(16)20(27-19)25-13-4-7-18(30)17(9-13)29(33)34/h1-10,30H,(H,25,26,27)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of c-terminal GFP-tagged human ABCG2 expressed in MDCK2 cells preincubated for 30 mins before Hoechst 33342 addition by Hoechst 33342 accu...				J Med Chem 61: 7952-7976 (2018) Article DOI: 10.1021/acs.jmedchem.8b01011 BindingDB Entry DOI: 10.7270/Q28C9ZTN
					More data for this Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human))	BDBM50368436 (CHEMBL4160408) Show SMILES COc1cccc(Nc2nc(nc3ccc(cc23)[N+]([O-])=O)-c2ccccc2)c1 Show InChI InChI=1S/C21H16N4O3/c1-28-17-9-5-8-15(12-17)22-21-18-13-16(25(26)27)10-11-19(18)23-20(24-21)14-6-3-2-4-7-14/h2-13H,1H3,(H,22,23,24)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of c-terminal GFP-tagged human ABCG2 expressed in MDCK2 cells preincubated for 30 mins before Hoechst 33342 addition by Hoechst 33342 accu...				J Med Chem 61: 7952-7976 (2018) Article DOI: 10.1021/acs.jmedchem.8b01011 BindingDB Entry DOI: 10.7270/Q28C9ZTN
					More data for this Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human))	BDBM50368398 (CHEMBL4163063) Show SMILES Oc1ccc(Nc2nc(nc3ccc(cc23)[N+]([O-])=O)-c2ccccc2)cc1[N+]([O-])=O Show InChI InChI=1S/C20H13N5O5/c26-18-9-6-13(10-17(18)25(29)30)21-20-15-11-14(24(27)28)7-8-16(15)22-19(23-20)12-4-2-1-3-5-12/h1-11,26H,(H,21,22,23)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of c-terminal GFP-tagged human ABCG2 expressed in MDCK2 cells preincubated for 30 mins before Hoechst 33342 addition by Hoechst 33342 accu...				J Med Chem 61: 7952-7976 (2018) Article DOI: 10.1021/acs.jmedchem.8b01011 BindingDB Entry DOI: 10.7270/Q28C9ZTN
					More data for this Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human))	BDBM50368333 (CHEMBL4171017) Show SMILES COc1ccc(Nc2nc(nc3ccc(cc23)[N+]([O-])=O)-c2ccccc2)cc1OC Show InChI InChI=1S/C22H18N4O4/c1-29-19-11-8-15(12-20(19)30-2)23-22-17-13-16(26(27)28)9-10-18(17)24-21(25-22)14-6-4-3-5-7-14/h3-13H,1-2H3,(H,23,24,25)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of c-terminal GFP-tagged human ABCG2 expressed in MDCK2 cells preincubated for 30 mins before Hoechst 33342 addition by Hoechst 33342 accu...				J Med Chem 61: 7952-7976 (2018) Article DOI: 10.1021/acs.jmedchem.8b01011 BindingDB Entry DOI: 10.7270/Q28C9ZTN
					More data for this Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human))	BDBM50536031 (CHEMBL4568473) Show SMILES COc1cccc(c1)C(=O)N1CCc2c([nH]c3ccccc23)C1c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C25H20Cl2N2O2/c1-31-17-6-4-5-16(13-17)25(30)29-12-11-19-18-7-2-3-8-22(18)28-23(19)24(29)15-9-10-20(26)21(27)14-15/h2-10,13-14,24,28H,11-12H2,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of human ABCG2 expressed in baculovirus infected Sf9 cell membrane assessed as inhibition of vanadate sensitive basal ATPase activity afte...				J Med Chem 59: 6121-35 (2016) Article DOI: 10.1021/acs.jmedchem.6b00035 BindingDB Entry DOI: 10.7270/Q28K7DK6
					More data for this Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human))	BDBM50091138 (CHEMBL3582168) Show SMILES COc1cc(OC)c2C[C@H](OC(=O)c3ccc(F)c(NC(=O)c4cc(OC)c(OC)c(OC)c4)c3)[C@H](Oc2c1)c1cc(OC)c(OC)c(OC)c1 |r| Show InChI InChI=1S/C37H38FNO12/c1-42-22-16-26(43-2)23-18-32(33(50-27(23)17-22)20-12-28(44-3)34(48-7)29(13-20)45-4)51-37(41)19-9-10-24(38)25(11-19)39-36(40)21-14-30(46-5)35(49-8)31(15-21)47-6/h9-17,32-33H,18H2,1-8H3,(H,39,40)/t32-,33+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	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 BCRP (unknown origin) transfected in human HEK293/R2 cells assessed as potentiation of topotecan-induced cytotoxicity measured as topot...				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
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human))	BDBM50569930 (CHEMBL4874743) Show SMILES COc1cccc(CCn2c3-c4ccccc4C(=O)c3c3c(OCCOc4cccc5n(CCc6cccc(OC)c6)c6-c7ccccc7C(=O)c6c45)cccc23)c1 Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human ABCG2 transfected in human HEK293 cells assessed as inhibition of mitoxantrone efflux measured after 30 mins by FACS Calibur cyto...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113017 BindingDB Entry DOI: 10.7270/Q2VX0M95
					More data for this Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human))	BDBM50322535 (3-(imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N...) Show SMILES CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3cnc4cccnn34)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C29H27F3N6O/c1-20-5-6-22(16-21(20)8-10-25-18-33-27-4-3-11-34-38(25)27)28(39)35-24-9-7-23(26(17-24)29(30,31)32)19-37-14-12-36(2)13-15-37/h3-7,9,11,16-18H,12-15,19H2,1-2H3,(H,35,39)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114346 BindingDB Entry DOI: 10.7270/Q2PZ5DT3
					More data for this Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human))	BDBM50606901 (CHEMBL3394488) Show SMILES CCN(CC)CCCNc1cc(C)nc2c3cc4ccccc4nc3nn12 Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114628 BindingDB Entry DOI: 10.7270/Q26114FP
					More data for this Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human))	BDBM50068270 ((E)-3-(4-hydroxy-2-methoxy-5-(2-methylbut-3-en-2-y...) Show SMILES COc1cc(O)c(cc1\C=C\C(=O)c1ccc(O)cc1)C(C)(C)C=C Show InChI InChI=1S/C21H22O4/c1-5-21(2,3)17-12-15(20(25-4)13-19(17)24)8-11-18(23)14-6-9-16(22)10-7-14/h5-13,22,24H,1H2,2-4H3/b11-8+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
Taipei Chang Gung Memorial Hospital Curated by ChEMBL					Assay Description Reversal of human ABCG2-mediated multidrug resistance in HEK293/R482 cells assessed as effect on topotecan-induced cytotoxicity by measuring topoteca...				J Nat Prod 83: 1461-1472 (2020) Article DOI: 10.1021/acs.jnatprod.9b01022 BindingDB Entry DOI: 10.7270/Q27D2ZQP
					More data for this Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human))	BDBM50068270 ((E)-3-(4-hydroxy-2-methoxy-5-(2-methylbut-3-en-2-y...) Show SMILES COc1cc(O)c(cc1\C=C\C(=O)c1ccc(O)cc1)C(C)(C)C=C Show InChI InChI=1S/C21H22O4/c1-5-21(2,3)17-12-15(20(25-4)13-19(17)24)8-11-18(23)14-6-9-16(22)10-7-14/h5-13,22,24H,1H2,2-4H3/b11-8+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	44	n/a	n/a	n/a	n/a	n/a	n/a
Taipei Chang Gung Memorial Hospital Curated by ChEMBL					Assay Description Reversal of human ABCG2-mediated multidrug resistance in HEK293/R482 cells assessed as effect on topotecan-induced cytotoxicity by measuring topoteca...				J Nat Prod 83: 1461-1472 (2020) Article DOI: 10.1021/acs.jnatprod.9b01022 BindingDB Entry DOI: 10.7270/Q27D2ZQP
					More data for this Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human))	BDBM50444023 (CHEMBL3092486) Show SMILES COc1ccc(cc1OC)-c1nc(Nc2ccc(cc2)[N+]([O-])=O)c2ccccc2n1 Show InChI InChI=1S/C22H18N4O4/c1-29-19-12-7-14(13-20(19)30-2)21-24-18-6-4-3-5-17(18)22(25-21)23-15-8-10-16(11-9-15)26(27)28/h3-13H,1-2H3,(H,23,24,25)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	44	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of human GFP-fused ABCG2 expressed in MDCK2 cells assessed as reduction in Hoechst 33342 efflux preincubated for 30 mins followed by Hoech...				Eur J Med Chem 139: 587-611 (2017) Article DOI: 10.1016/j.ejmech.2017.08.020 BindingDB Entry DOI: 10.7270/Q2R49T8R
					More data for this Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human))	BDBM50444023 (CHEMBL3092486) Show SMILES COc1ccc(cc1OC)-c1nc(Nc2ccc(cc2)[N+]([O-])=O)c2ccccc2n1 Show InChI InChI=1S/C22H18N4O4/c1-29-19-12-7-14(13-20(19)30-2)21-24-18-6-4-3-5-17(18)22(25-21)23-15-8-10-16(11-9-15)26(27)28/h3-13H,1-2H3,(H,23,24,25)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	44	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of human GFP-fused ABCG2 expressed in MDCK2 cells assessed as reduction in Hoechst 33342 efflux preincubated for 30 mins followed by Hoech...				Eur J Med Chem 139: 587-611 (2017) Article DOI: 10.1016/j.ejmech.2017.08.020 BindingDB Entry DOI: 10.7270/Q2R49T8R
					More data for this Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human))	BDBM50507008 (CHEMBL4470633) Show SMILES N#Cc1cccc(Nc2nc(nc3ccccc23)-c2cccs2)c1 Show InChI InChI=1S/C19H12N4S/c20-12-13-5-3-6-14(11-13)21-18-15-7-1-2-8-16(15)22-19(23-18)17-9-4-10-24-17/h1-11H,(H,21,22,23)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of GFP-fused human ABCG2 expressed in MDCK2 cells assessed as potentiation of mitoxantrone-induced cytotoxicity after 72 hrs by MTT assay				Eur J Med Chem 161: 506-525 (2019) Article DOI: 10.1016/j.ejmech.2018.10.026 BindingDB Entry DOI: 10.7270/Q23N26P9
					More data for this Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human))	BDBM50368450 (CHEMBL4164420) Show SMILES [O-][N+](=O)c1ccc2nc(nc(Nc3cccc(F)c3)c2c1)-c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C21H12F4N4O2/c22-14-5-2-6-15(10-14)26-20-17-11-16(29(30)31)7-8-18(17)27-19(28-20)12-3-1-4-13(9-12)21(23,24)25/h1-11H,(H,26,27,28)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of c-terminal GFP-tagged human ABCG2 expressed in MDCK2 cells preincubated for 30 mins before Hoechst 33342 addition by Hoechst 33342 accu...				J Med Chem 61: 7952-7976 (2018) Article DOI: 10.1021/acs.jmedchem.8b01011 BindingDB Entry DOI: 10.7270/Q28C9ZTN
					More data for this Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human))	BDBM50368434 (CHEMBL4171213) Show SMILES CC(=O)Nc1cccc(Nc2nc(nc3ccc(cc23)[N+]([O-])=O)-c2cccc(c2)C(F)(F)F)c1 Show InChI InChI=1S/C23H16F3N5O3/c1-13(32)27-16-6-3-7-17(11-16)28-22-19-12-18(31(33)34)8-9-20(19)29-21(30-22)14-4-2-5-15(10-14)23(24,25)26/h2-12H,1H3,(H,27,32)(H,28,29,30)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of c-terminal GFP-tagged human ABCG2 expressed in MDCK2 cells preincubated for 30 mins before Hoechst 33342 addition by Hoechst 33342 accu...				J Med Chem 61: 7952-7976 (2018) Article DOI: 10.1021/acs.jmedchem.8b01011 BindingDB Entry DOI: 10.7270/Q28C9ZTN
					More data for this Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human))	BDBM50091112 (CHEMBL3582167) Show SMILES COc1cc(OC)c2C[C@H](OC(=O)c3ccc(F)c(NC(=O)c4ccc(OC)c(OC)c4)c3)[C@H](Oc2c1)c1cc(OC)c(OC)c(OC)c1 |r| Show InChI InChI=1S/C36H36FNO11/c1-41-22-16-27(43-3)23-18-32(33(48-28(23)17-22)21-14-30(45-5)34(47-7)31(15-21)46-6)49-36(40)20-8-10-24(37)25(12-20)38-35(39)19-9-11-26(42-2)29(13-19)44-4/h8-17,32-33H,18H2,1-7H3,(H,38,39)/t32-,33+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
The Hong Kong Polytechnic University Curated by ChEMBL					Assay Description Modulation of BCRP (unknown origin) transfected in human HEK293/R2 cells assessed as potentiation of topotecan-induced cytotoxicity measured as topot...				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
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human))	BDBM50529175 (CHEMBL4444486) Show SMILES COc1ccc2[nH]cc(CCNC(=O)c3cc(=O)c4c(OCc5ccc(Br)cc5Br)cccc4o3)c2c1 Show InChI InChI=1S/C28H22Br2N2O5/c1-35-19-7-8-22-20(12-19)16(14-32-22)9-10-31-28(34)26-13-23(33)27-24(3-2-4-25(27)37-26)36-15-17-5-6-18(29)11-21(17)30/h2-8,11-14,32H,9-10,15H2,1H3,(H,31,34)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114346 BindingDB Entry DOI: 10.7270/Q2PZ5DT3
					More data for this Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human))	BDBM50581481 (CHEMBL5089855) Show SMILES COc1cc(OC)c2C[C@H](OC(=O)c3ccc(F)c(NC(=O)c4cc(OC)c(OC)c(OC)c4)c3)[C@H](Oc2c1)c1ccc(OC)c(OC)c1 |r| Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of BCRP in HEK293/R2 cells assessed as reversal of topotecan resistance by measuring topotecan IC50 at 1 uM after 5 days by Cell Titer-Glo...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113795 BindingDB Entry DOI: 10.7270/Q2GF0ZDD
					More data for this Ligand-Target Pair

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