Compile Data Set for Download or QSAR

Found 462 hits with Last Name = 'gallus' and Initial = 'j'   

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
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human))	BDBM50239302 (CHEMBL4071857) Show SMILES FC(F)(F)c1ccc(Nc2nc(nc3ccccc23)-c2ccncc2)cc1 Show InChI InChI=1S/C20H13F3N4/c21-20(22,23)14-5-7-15(8-6-14)25-19-16-3-1-2-4-17(16)26-18(27-19)13-9-11-24-12-10-13/h1-12H,(H,25,26,27)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of ABCG2 (unknown origin) ATPase activity expressed in baculovirus infected high five cell membranes by ascorbic acid/ammonia molybdate re...				J Med Chem 60: 4474-4495 (2017) Article DOI: 10.1021/acs.jmedchem.7b00441 BindingDB Entry DOI: 10.7270/Q2GT5Q9V
					More data for this Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human))	BDBM50239301 (CHEMBL4065492) Show SMILES FC(F)(F)c1cccc(Nc2nc(nc3ccccc23)-c2ccncc2)c1 Show InChI InChI=1S/C20H13F3N4/c21-20(22,23)14-4-3-5-15(12-14)25-19-16-6-1-2-7-17(16)26-18(27-19)13-8-10-24-11-9-13/h1-12H,(H,25,26,27)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.80E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of ABCG2 (unknown origin) ATPase activity expressed in baculovirus infected high five cell membranes by ascorbic acid/ammonia molybdate re...				J Med Chem 60: 4474-4495 (2017) Article DOI: 10.1021/acs.jmedchem.7b00441 BindingDB Entry DOI: 10.7270/Q2GT5Q9V
					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))	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))	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))	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))	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))	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))	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))	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))	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))	BDBM50368389 (CHEMBL4174412) Show SMILES COc1cccc(Nc2nc(nc3ccc(cc23)[N+]([O-])=O)-c2cccnc2)c1 Show InChI InChI=1S/C20H15N5O3/c1-28-16-6-2-5-14(10-16)22-20-17-11-15(25(26)27)7-8-18(17)23-19(24-20)13-4-3-9-21-12-13/h2-12H,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	47	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))	BDBM50507006 (CHEMBL4456005) Show SMILES [O-][N+](=O)c1cccc(c1)C(=O)Nc1nc(nc2ccccc12)-c1ccccc1 Show InChI InChI=1S/C21H14N4O3/c26-21(15-9-6-10-16(13-15)25(27)28)24-20-17-11-4-5-12-18(17)22-19(23-20)14-7-2-1-3-8-14/h1-13H,(H,22,23,24,26)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	47	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))	BDBM50277393 (CHEMBL4160529) Show SMILES COc1ccc(cc1OC)-c1nc(Nc2ccc(Br)c(OC)c2)c2ccccc2n1 Show InChI InChI=1S/C23H20BrN3O3/c1-28-19-11-8-14(12-21(19)30-3)22-26-18-7-5-4-6-16(18)23(27-22)25-15-9-10-17(24)20(13-15)29-2/h4-13H,1-3H3,(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	48	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))	BDBM50368334 (CHEMBL4163784) Show SMILES [O-][N+](=O)c1ccc2nc(nc(Nc3cccc(c3)C#N)c2c1)-c1ccccc1 Show InChI InChI=1S/C21H13N5O2/c22-13-14-5-4-8-16(11-14)23-21-18-12-17(26(27)28)9-10-19(18)24-20(25-21)15-6-2-1-3-7-15/h1-12H,(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	48	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))	BDBM50368326 (CHEMBL4174458) Show SMILES [O-][N+](=O)c1ccc2nc(nc(Nc3ccc(cc3)C#N)c2c1)-c1ccccc1 Show InChI InChI=1S/C21H13N5O2/c22-13-14-6-8-16(9-7-14)23-21-18-12-17(26(27)28)10-11-19(18)24-20(25-21)15-4-2-1-3-5-15/h1-12H,(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	48	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))	BDBM50368394 (CHEMBL4164189) Show SMILES [O-][N+](=O)c1ccc2nc(nc(Nc3cccc(c3)C(F)(F)F)c2c1)-c1ccccc1 Show InChI InChI=1S/C21H13F3N4O2/c22-21(23,24)14-7-4-8-15(11-14)25-20-17-12-16(28(29)30)9-10-18(17)26-19(27-20)13-5-2-1-3-6-13/h1-12H,(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	49	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))	BDBM50368335 (CHEMBL4172063) Show SMILES [O-][N+](=O)c1ccc2nc(nc(Nc3cccc(F)c3)c2c1)-c1ccccc1 Show InChI InChI=1S/C20H13FN4O2/c21-14-7-4-8-15(11-14)22-20-17-12-16(25(26)27)9-10-18(17)23-19(24-20)13-5-2-1-3-6-13/h1-12H,(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	52	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))	BDBM50277405 (CHEMBL4165918) Show SMILES COc1ccc(Nc2nc(nc3ccccc23)-c2cccc(c2)[N+]([O-])=O)cc1OC Show InChI InChI=1S/C22H18N4O4/c1-29-19-11-10-15(13-20(19)30-2)23-22-17-8-3-4-9-18(17)24-21(25-22)14-6-5-7-16(12-14)26(27)28/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	Article PubMed	n/a	n/a	55	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))	BDBM50507006 (CHEMBL4456005) Show SMILES [O-][N+](=O)c1cccc(c1)C(=O)Nc1nc(nc2ccccc12)-c1ccccc1 Show InChI InChI=1S/C21H14N4O3/c26-21(15-9-6-10-16(13-15)25(27)28)24-20-17-11-4-5-12-18(17)22-19(23-20)14-7-2-1-3-8-14/h1-13H,(H,22,23,24,26)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	55	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 Hoechst 33342 accumulation preincubated for 30 mins followed by Hoechst 3334...				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))	BDBM50277405 (CHEMBL4165918) Show SMILES COc1ccc(Nc2nc(nc3ccccc23)-c2cccc(c2)[N+]([O-])=O)cc1OC Show InChI InChI=1S/C22H18N4O4/c1-29-19-11-10-15(13-20(19)30-2)23-22-17-8-3-4-9-18(17)24-21(25-22)14-6-5-7-16(12-14)26(27)28/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	Article PubMed	n/a	n/a	56	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))	BDBM50368348 (CHEMBL4164845) Show SMILES COc1ccc(cc1OC)-c1nc(Nc2cccc(c2)C(F)(F)F)c2cc(ccc2n1)[N+]([O-])=O Show InChI InChI=1S/C23H17F3N4O4/c1-33-19-9-6-13(10-20(19)34-2)21-28-18-8-7-16(30(31)32)12-17(18)22(29-21)27-15-5-3-4-14(11-15)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	57	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))	BDBM50368385 (CHEMBL4174809) Show SMILES COc1ccc(Nc2nc(nc3ccc(cc23)[N+]([O-])=O)-c2cccnc2)cc1 Show InChI InChI=1S/C20H15N5O3/c1-28-16-7-4-14(5-8-16)22-20-17-11-15(25(26)27)6-9-18(17)23-19(24-20)13-3-2-10-21-12-13/h2-12H,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	58	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))	BDBM50368307 (CHEMBL4175885) Show SMILES COc1cccc(Nc2nc(nc3ccc(cc23)[N+]([O-])=O)-c2cccc(c2)C(F)(F)F)c1 Show InChI InChI=1S/C22H15F3N4O3/c1-32-17-7-3-6-15(11-17)26-21-18-12-16(29(30)31)8-9-19(18)27-20(28-21)13-4-2-5-14(10-13)22(23,24)25/h2-12H,1H3,(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	59	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))	BDBM50368363 (CHEMBL4167604) Show SMILES [O-][N+](=O)c1ccc2nc(nc(Nc3ccccc3)c2c1)-c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C21H13F3N4O2/c22-21(23,24)14-6-4-5-13(11-14)19-26-18-10-9-16(28(29)30)12-17(18)20(27-19)25-15-7-2-1-3-8-15/h1-12H,(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	60	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))	BDBM50368360 (CHEMBL4174654) Show SMILES [O-][N+](=O)c1ccc(Nc2nc(nc3ccc(cc23)[N+]([O-])=O)-c2cccc(c2)C(F)(F)F)cc1 Show InChI InChI=1S/C21H12F3N5O4/c22-21(23,24)13-3-1-2-12(10-13)19-26-18-9-8-16(29(32)33)11-17(18)20(27-19)25-14-4-6-15(7-5-14)28(30)31/h1-11H,(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	61	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))	BDBM50368364 (CHEMBL4159686) Show SMILES [O-][N+](=O)c1ccc2nc(nc(Nc3cccc(c3)C#N)c2c1)-c1ccncc1 Show InChI InChI=1S/C20H12N6O2/c21-12-13-2-1-3-15(10-13)23-20-17-11-16(26(27)28)4-5-18(17)24-19(25-20)14-6-8-22-9-7-14/h1-11H,(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	64	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))	BDBM50239322 (CHEMBL4075328) Show SMILES [O-][N+](=O)c1ccc(Nc2nc(nc3ccccc23)-c2cccnc2)cc1 Show InChI InChI=1S/C19H13N5O2/c25-24(26)15-9-7-14(8-10-15)21-19-16-5-1-2-6-17(16)22-18(23-19)13-4-3-11-20-12-13/h1-12H,(H,21,22,23)	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	64	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of recombinant human GFP-fused ABCG2 expressed in MDCK2 cells assessed as reduction in Hoechst 33342 efflux preincubated for 30 mins follo...				J Med Chem 60: 4474-4495 (2017) Article DOI: 10.1021/acs.jmedchem.7b00441 BindingDB Entry DOI: 10.7270/Q2GT5Q9V
					More data for this Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human))	BDBM50368325 (CHEMBL4170623) Show SMILES Oc1cccc(Nc2nc(nc3ccc(cc23)[N+]([O-])=O)-c2ccccc2)c1 Show InChI InChI=1S/C20H14N4O3/c25-16-8-4-7-14(11-16)21-20-17-12-15(24(26)27)9-10-18(17)22-19(23-20)13-5-2-1-3-6-13/h1-12,25H,(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	65	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))	BDBM50368330 (CHEMBL4175064) Show SMILES [O-][N+](=O)c1cccc(Nc2nc(nc3ccc(cc23)[N+]([O-])=O)-c2cccc(c2)C(F)(F)F)c1 Show InChI InChI=1S/C21H12F3N5O4/c22-21(23,24)13-4-1-3-12(9-13)19-26-18-8-7-16(29(32)33)11-17(18)20(27-19)25-14-5-2-6-15(10-14)28(30)31/h1-11H,(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	66	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))	BDBM50277399 (CHEMBL4166863) Show SMILES COc1cccc(c1)-c1nc(Nc2ccc(cc2)[N+]([O-])=O)c2ccccc2n1 Show InChI InChI=1S/C21H16N4O3/c1-28-17-6-4-5-14(13-17)20-23-19-8-3-2-7-18(19)21(24-20)22-15-9-11-16(12-10-15)25(26)27/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	66	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))	BDBM50277399 (CHEMBL4166863) Show SMILES COc1cccc(c1)-c1nc(Nc2ccc(cc2)[N+]([O-])=O)c2ccccc2n1 Show InChI InChI=1S/C21H16N4O3/c1-28-17-6-4-5-14(13-17)20-23-19-8-3-2-7-18(19)21(24-20)22-15-9-11-16(12-10-15)25(26)27/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	68	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))	BDBM50394043 (CHEMBL2158556) Show SMILES [O-][N+](=O)c1ccc(Nc2nc(nc3ccccc23)-c2ccccc2)cc1 Show InChI InChI=1S/C20H14N4O2/c25-24(26)16-12-10-15(11-13-16)21-20-17-8-4-5-9-18(17)22-19(23-20)14-6-2-1-3-7-14/h1-13H,(H,21,22,23)	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	70	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 Hoechst 33342 accumulation preincubated for 30 mins followed by Hoechst 3334...				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))	BDBM50239316 (CHEMBL4088022) Show SMILES N#Cc1ccc(Nc2nc(nc3ccccc23)-c2ccccc2)cc1 Show InChI InChI=1S/C21H14N4/c22-14-15-10-12-17(13-11-15)23-21-18-8-4-5-9-19(18)24-20(25-21)16-6-2-1-3-7-16/h1-13H,(H,23,24,25)	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	71	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of recombinant human GFP-fused ABCG2 expressed in MDCK2 cells assessed as reduction in Hoechst 33342 efflux preincubated for 30 mins follo...				J Med Chem 60: 4474-4495 (2017) Article DOI: 10.1021/acs.jmedchem.7b00441 BindingDB Entry DOI: 10.7270/Q2GT5Q9V
					More data for this Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human))	BDBM50444007 (CHEMBL3092485) Show SMILES COc1ccc(cc1OC)-c1nc(Nc2cccc(c2)[N+]([O-])=O)c2ccccc2n1 Show InChI InChI=1S/C22H18N4O4/c1-29-19-11-10-14(12-20(19)30-2)21-24-18-9-4-3-8-17(18)22(25-21)23-15-6-5-7-16(13-15)26(27)28/h3-13H,1-2H3,(H,23,24,25)	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	76	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of human BCRP expressed in MDCK2 cells assessed as Hoechst 33342 accumulation treated 30 mins before Hoechst 33342 addition measured up to...				Bioorg Med Chem 21: 7858-73 (2013) Article DOI: 10.1016/j.bmc.2013.10.007 BindingDB Entry DOI: 10.7270/Q2TX3GT2
					More data for this Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human))	BDBM50368396 (CHEMBL4164155) Show SMILES COc1ccc(Nc2nc(nc3ccc(cc23)[N+]([O-])=O)-c2ccncc2)cc1 Show InChI InChI=1S/C20H15N5O3/c1-28-16-5-2-14(3-6-16)22-20-17-12-15(25(26)27)4-7-18(17)23-19(24-20)13-8-10-21-11-9-13/h2-12H,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	76	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))	BDBM50507018 (CHEMBL4582715) Show SMILES [O-][N+](=O)c1ccc(cc1)C(=O)Nc1nc(nc2ccccc12)-c1ccccc1 Show InChI InChI=1S/C21H14N4O3/c26-21(15-10-12-16(13-11-15)25(27)28)24-20-17-8-4-5-9-18(17)22-19(23-20)14-6-2-1-3-7-14/h1-13H,(H,22,23,24,26)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	77	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))	BDBM50368451 (CHEMBL4170981) Show SMILES CC(=O)Nc1cccc(Nc2nc(nc3ccc(cc23)[N+]([O-])=O)-c2ccccc2)c1 Show InChI InChI=1S/C22H17N5O3/c1-14(28)23-16-8-5-9-17(12-16)24-22-19-13-18(27(29)30)10-11-20(19)25-21(26-22)15-6-3-2-4-7-15/h2-13H,1H3,(H,23,28)(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	79	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))	BDBM50444007 (CHEMBL3092485) Show SMILES COc1ccc(cc1OC)-c1nc(Nc2cccc(c2)[N+]([O-])=O)c2ccccc2n1 Show InChI InChI=1S/C22H18N4O4/c1-29-19-11-10-14(12-20(19)30-2)21-24-18-9-4-3-8-17(18)22(25-21)23-15-6-5-7-16(13-15)26(27)28/h3-13H,1-2H3,(H,23,24,25)	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	81	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))	BDBM50239317 (CHEMBL4069582) Show SMILES Oc1ccc(Nc2nc(nc3ccccc23)-c2ccccc2)cc1[N+]([O-])=O Show InChI InChI=1S/C20H14N4O3/c25-18-11-10-14(12-17(18)24(26)27)21-20-15-8-4-5-9-16(15)22-19(23-20)13-6-2-1-3-7-13/h1-12,25H,(H,21,22,23)	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	81	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of recombinant human GFP-fused ABCG2 expressed in MDCK2 cells assessed as reduction in Hoechst 33342 efflux preincubated for 30 mins follo...				J Med Chem 60: 4474-4495 (2017) Article DOI: 10.1021/acs.jmedchem.7b00441 BindingDB Entry DOI: 10.7270/Q2GT5Q9V
					More data for this Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human))	BDBM50444007 (CHEMBL3092485) Show SMILES COc1ccc(cc1OC)-c1nc(Nc2cccc(c2)[N+]([O-])=O)c2ccccc2n1 Show InChI InChI=1S/C22H18N4O4/c1-29-19-11-10-14(12-20(19)30-2)21-24-18-9-4-3-8-17(18)22(25-21)23-15-6-5-7-16(13-15)26(27)28/h3-13H,1-2H3,(H,23,24,25)	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	83	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))	BDBM50277391 (CHEMBL4161606) Show SMILES CCN(CC)c1cccc(Nc2nc(nc3ccccc23)-c2cccc(c2)[N+]([O-])=O)c1 Show InChI InChI=1S/C24H23N5O2/c1-3-28(4-2)19-11-8-10-18(16-19)25-24-21-13-5-6-14-22(21)26-23(27-24)17-9-7-12-20(15-17)29(30)31/h5-16H,3-4H2,1-2H3,(H,25,26,27)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	84	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))	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	84	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))	BDBM50277425 (CHEMBL4164537) Show SMILES COc1ccc(Nc2nc(nc3ccccc23)-c2ccc(cc2)[N+]([O-])=O)cc1OC Show InChI InChI=1S/C22H18N4O4/c1-29-19-12-9-15(13-20(19)30-2)23-22-17-5-3-4-6-18(17)24-21(25-22)14-7-10-16(11-8-14)26(27)28/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	87	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

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