Compile Data Set for Download or QSAR

Found 121 hits with Last Name = 'bönisch' and Initial = 'h'   

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
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM22417 (3-(2-methoxyphenoxy)-N-methyl-3-phenylpropan-1-ami...) Show SMILES CNCCC(Oc1ccccc1OC)c1ccccc1 Show InChI InChI=1S/C17H21NO2/c1-18-13-12-15(14-8-4-3-5-9-14)20-17-11-7-6-10-16(17)19-2/h3-11,15,18H,12-13H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	PubMed	4.21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by PDSP Ki Database									J Pharmacol Exp Ther 290: 761-7 (1999) BindingDB Entry DOI: 10.7270/Q2HH6HNF
					More data for this Ligand-Target Pair
Norepinephrine transporter (RAT)	BDBM22417 (3-(2-methoxyphenoxy)-N-methyl-3-phenylpropan-1-ami...) Show SMILES CNCCC(Oc1ccccc1OC)c1ccccc1 Show InChI InChI=1S/C17H21NO2/c1-18-13-12-15(14-8-4-3-5-9-14)20-17-11-7-6-10-16(17)19-2/h3-11,15,18H,12-13H2,1-2H3	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	PubMed	5.74	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by PDSP Ki Database									J Pharmacol Exp Ther 290: 761-7 (1999) BindingDB Entry DOI: 10.7270/Q2HH6HNF
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (BOVINE)	BDBM22417 (3-(2-methoxyphenoxy)-N-methyl-3-phenylpropan-1-ami...) Show SMILES CNCCC(Oc1ccccc1OC)c1ccccc1 Show InChI InChI=1S/C17H21NO2/c1-18-13-12-15(14-8-4-3-5-9-14)20-17-11-7-6-10-16(17)19-2/h3-11,15,18H,12-13H2,1-2H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	PubMed	6.01	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by PDSP Ki Database									J Pharmacol Exp Ther 290: 761-7 (1999) BindingDB Entry DOI: 10.7270/Q2HH6HNF
					More data for this Ligand-Target Pair
Norepinephrine transporter (RAT)	BDBM35229 (3-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-N-met...) Show SMILES CNCCCN1c2ccccc2CCc2ccccc12 Show InChI InChI=1S/C18H22N2/c1-19-13-6-14-20-17-9-4-2-7-15(17)11-12-16-8-3-5-10-18(16)20/h2-5,7-10,19H,6,11-14H2,1H3	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	7.36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by PDSP Ki Database									J Pharmacol Exp Ther 290: 761-7 (1999) BindingDB Entry DOI: 10.7270/Q2HH6HNF
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM35229 (3-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-N-met...) Show SMILES CNCCCN1c2ccccc2CCc2ccccc12 Show InChI InChI=1S/C18H22N2/c1-19-13-6-14-20-17-9-4-2-7-15(17)11-12-16-8-3-5-10-18(16)20/h2-5,7-10,19H,6,11-14H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PubMed	8.54	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by PDSP Ki Database									J Pharmacol Exp Ther 290: 761-7 (1999) BindingDB Entry DOI: 10.7270/Q2HH6HNF
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (BOVINE)	BDBM35229 (3-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-N-met...) Show SMILES CNCCCN1c2ccccc2CCc2ccccc12 Show InChI InChI=1S/C18H22N2/c1-19-13-6-14-20-17-9-4-2-7-15(17)11-12-16-8-3-5-10-18(16)20/h2-5,7-10,19H,6,11-14H2,1H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	8.88	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by PDSP Ki Database									J Pharmacol Exp Ther 290: 761-7 (1999) BindingDB Entry DOI: 10.7270/Q2HH6HNF
					More data for this Ligand-Target Pair
Norepinephrine transporter (RAT)	BDBM50010859 (CHEMBL11 | IMIPRAMINE HYDROCHLORIDE | IMIPRAMINE P...) Show SMILES CN(C)CCCN1c2ccccc2CCc2ccccc12 Show InChI InChI=1S/C19H24N2/c1-20(2)14-7-15-21-18-10-5-3-8-16(18)12-13-17-9-4-6-11-19(17)21/h3-6,8-11H,7,12-15H2,1-2H3	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PubMed	82.2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by PDSP Ki Database									J Pharmacol Exp Ther 290: 761-7 (1999) BindingDB Entry DOI: 10.7270/Q2HH6HNF
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (BOVINE)	BDBM50010859 (CHEMBL11 | IMIPRAMINE HYDROCHLORIDE | IMIPRAMINE P...) Show SMILES CN(C)CCCN1c2ccccc2CCc2ccccc12 Show InChI InChI=1S/C19H24N2/c1-20(2)14-7-15-21-18-10-5-3-8-16(18)12-13-17-9-4-6-11-19(17)21/h3-6,8-11H,7,12-15H2,1-2H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PubMed	93.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by PDSP Ki Database									J Pharmacol Exp Ther 290: 761-7 (1999) BindingDB Entry DOI: 10.7270/Q2HH6HNF
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50010859 (CHEMBL11 | IMIPRAMINE HYDROCHLORIDE | IMIPRAMINE P...) Show SMILES CN(C)CCCN1c2ccccc2CCc2ccccc12 Show InChI InChI=1S/C19H24N2/c1-20(2)14-7-15-21-18-10-5-3-8-16(18)12-13-17-9-4-6-11-19(17)21/h3-6,8-11H,7,12-15H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank PubMed	118	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by PDSP Ki Database									J Pharmacol Exp Ther 290: 761-7 (1999) BindingDB Entry DOI: 10.7270/Q2HH6HNF
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (BOVINE)	BDBM22418 (Cocaine | Cocaine (-) | methyl (1R,2R,3S,5S)-3-(be...) Show SMILES [H][C@]12CC[C@]([H])([C@H]([C@H](C1)OC(=O)c1ccccc1)C(=O)OC)N2C |TLB:18:6:22:3.2| Show InChI InChI=1S/C17H21NO4/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3/t12-,13+,14-,15+/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	197	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by PDSP Ki Database									J Pharmacol Exp Ther 290: 761-7 (1999) BindingDB Entry DOI: 10.7270/Q2HH6HNF
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM55121 (3-HYDROXYTYRAMINE HYDROCHLORIDE | 4-(2-aminoethyl)...) Show SMILES NCCc1ccc(O)c(O)c1 Show InChI InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid PDB UniChem Similars	DrugBank PubMed	323	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by PDSP Ki Database									J Pharmacol Exp Ther 290: 761-7 (1999) BindingDB Entry DOI: 10.7270/Q2HH6HNF
					More data for this Ligand-Target Pair
Norepinephrine transporter (RAT)	BDBM55121 (3-HYDROXYTYRAMINE HYDROCHLORIDE | 4-(2-aminoethyl)...) Show SMILES NCCc1ccc(O)c(O)c1 Show InChI InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid PDB UniChem Similars	PubMed	392	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by PDSP Ki Database									J Pharmacol Exp Ther 290: 761-7 (1999) BindingDB Entry DOI: 10.7270/Q2HH6HNF
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (BOVINE)	BDBM55121 (3-HYDROXYTYRAMINE HYDROCHLORIDE | 4-(2-aminoethyl)...) Show SMILES NCCc1ccc(O)c(O)c1 Show InChI InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid PDB UniChem Similars	PubMed	397	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by PDSP Ki Database									J Pharmacol Exp Ther 290: 761-7 (1999) BindingDB Entry DOI: 10.7270/Q2HH6HNF
					More data for this Ligand-Target Pair
Norepinephrine transporter (RAT)	BDBM22418 (Cocaine | Cocaine (-) | methyl (1R,2R,3S,5S)-3-(be...) Show SMILES [H][C@]12CC[C@]([H])([C@H]([C@H](C1)OC(=O)c1ccccc1)C(=O)OC)N2C |TLB:18:6:22:3.2| Show InChI InChI=1S/C17H21NO4/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3/t12-,13+,14-,15+/m0/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	398	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by PDSP Ki Database									J Pharmacol Exp Ther 290: 761-7 (1999) BindingDB Entry DOI: 10.7270/Q2HH6HNF
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM81945 (CAS_39484 | CHEMBL105891 | CHEMBL108926 | CHEMBL27...) Show SMILES C[n+]1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C12H12N/c1-13-9-7-12(8-10-13)11-5-3-2-4-6-11/h2-10H,1H3/q+1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PubMed	507	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by PDSP Ki Database									J Pharmacol Exp Ther 290: 761-7 (1999) BindingDB Entry DOI: 10.7270/Q2HH6HNF
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (BOVINE)	BDBM81945 (CAS_39484 | CHEMBL105891 | CHEMBL108926 | CHEMBL27...) Show SMILES C[n+]1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C12H12N/c1-13-9-7-12(8-10-13)11-5-3-2-4-6-11/h2-10H,1H3/q+1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PubMed	570	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by PDSP Ki Database									J Pharmacol Exp Ther 290: 761-7 (1999) BindingDB Entry DOI: 10.7270/Q2HH6HNF
					More data for this Ligand-Target Pair
Norepinephrine transporter (RAT)	BDBM81945 (CAS_39484 | CHEMBL105891 | CHEMBL108926 | CHEMBL27...) Show SMILES C[n+]1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C12H12N/c1-13-9-7-12(8-10-13)11-5-3-2-4-6-11/h2-10H,1H3/q+1	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PubMed	778	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by PDSP Ki Database									J Pharmacol Exp Ther 290: 761-7 (1999) BindingDB Entry DOI: 10.7270/Q2HH6HNF
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM84342 (4-[1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol...) Show SMILES CNCC(O)c1ccc(O)c(O)c1 Show InChI InChI=1S/C9H13NO3/c1-10-5-9(13)6-2-3-7(11)8(12)4-6/h2-4,9-13H,5H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid PDB UniChem Similars	PubMed	3.68E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by PDSP Ki Database									J Pharmacol Exp Ther 290: 761-7 (1999) BindingDB Entry DOI: 10.7270/Q2HH6HNF
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (BOVINE)	BDBM84342 (4-[1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol...) Show SMILES CNCC(O)c1ccc(O)c(O)c1 Show InChI InChI=1S/C9H13NO3/c1-10-5-9(13)6-2-3-7(11)8(12)4-6/h2-4,9-13H,5H2,1H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase KEGG PC cid PC sid PDB UniChem Similars	PubMed	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by PDSP Ki Database									J Pharmacol Exp Ther 290: 761-7 (1999) BindingDB Entry DOI: 10.7270/Q2HH6HNF
					More data for this Ligand-Target Pair
Norepinephrine transporter (RAT)	BDBM84342 (4-[1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol...) Show SMILES CNCC(O)c1ccc(O)c(O)c1 Show InChI InChI=1S/C9H13NO3/c1-10-5-9(13)6-2-3-7(11)8(12)4-6/h2-4,9-13H,5H2,1H3	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase KEGG PC cid PC sid PDB UniChem Similars	PubMed	6.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by PDSP Ki Database									J Pharmacol Exp Ther 290: 761-7 (1999) BindingDB Entry DOI: 10.7270/Q2HH6HNF
					More data for this Ligand-Target Pair
Solute carrier family 22 member 3 (Homo sapiens (Human))	BDBM50420232 (CHEMBL2074900) Show SMILES CN(CCCl)C1c2ccccc2-c2ccccc12 Show InChI InChI=1S/C16H16ClN/c1-18(11-10-17)16-14-8-4-2-6-12(14)13-7-3-5-9-15(13)16/h2-9,16H,10-11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description TP_TRANSPORTER: inhibition of MPP+ uptake (MPP+: 0.25 uM) in OCT3-expressing HEK293 cells				Br J Pharmacol 136: 829-36 (2002) Article DOI: 10.1038/sj.bjp.0704785 BindingDB Entry DOI: 10.7270/Q29Z9656
					More data for this Ligand-Target Pair
Solute carrier family 22 member 3 (Homo sapiens (Human))	BDBM39687 ((2E)-1-ethyl-2-[(1-ethyl-2-quinolin-1-iumyl)methyl...) Show SMILES CCN1\C(=C\c2ccc3ccccc3[n+]2CC)C=Cc2ccccc12 |c:19| Show InChI InChI=1S/C23H23N2/c1-3-24-20(15-13-18-9-5-7-11-22(18)24)17-21-16-14-19-10-6-8-12-23(19)25(21)4-2/h5-17H,3-4H2,1-2H3/q+1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description TP_TRANSPORTER: inhibition of MPP+ uptake (MPP+: 0.25 uM) in OCT3-expressing HEK293 cells				Br J Pharmacol 136: 829-36 (2002) Article DOI: 10.1038/sj.bjp.0704785 BindingDB Entry DOI: 10.7270/Q29Z9656
					More data for this Ligand-Target Pair
Solute carrier family 22 member 2 (Homo sapiens (Human))	BDBM50420232 (CHEMBL2074900) Show SMILES CN(CCCl)C1c2ccccc2-c2ccccc12 Show InChI InChI=1S/C16H16ClN/c1-18(11-10-17)16-14-8-4-2-6-12(14)13-7-3-5-9-15(13)16/h2-9,16H,10-11H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description TP_TRANSPORTER: inhibition of MPP+ uptake (MPP+: 0.25 uM) in OCT2-expressing HEK293 cells				Br J Pharmacol 136: 829-36 (2002) Article DOI: 10.1038/sj.bjp.0704785 BindingDB Entry DOI: 10.7270/Q29Z9656
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50075373 (1N-{4-[2-(6,7-dimethoxy-1,2,3,4-tetrahydro-2-isoqu...) Show SMILES COc1cc2CCN(CCc3ccc(NC(=O)c4cc(OC)c(OC)cc4NC(=O)c4cnc5ccccc5c4)cc3)Cc2cc1OC Show InChI InChI=1S/C38H38N4O6/c1-45-33-18-25-14-16-42(23-28(25)19-34(33)46-2)15-13-24-9-11-29(12-10-24)40-38(44)30-20-35(47-3)36(48-4)21-32(30)41-37(43)27-17-26-7-5-6-8-31(26)39-22-27/h5-12,17-22H,13-16,23H2,1-4H3,(H,40,44)(H,41,43)	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of MDR1 expressed in MDCK cells using rhodamine 123 staining by flow cytometry				Bioorg Med Chem 19: 2090-102 (2011) Article DOI: 10.1016/j.bmc.2010.12.043 BindingDB Entry DOI: 10.7270/Q2PZ593F
					More data for this Ligand-Target Pair				3D Structure (crystal)
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	210	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of BCRP expressed in MDCK cells using Hoechst 33342 staining				Bioorg Med Chem 19: 2090-102 (2011) Article DOI: 10.1016/j.bmc.2010.12.043 BindingDB Entry DOI: 10.7270/Q2PZ593F
					More data for this Ligand-Target Pair
Solute carrier family 22 member 3 (Homo sapiens (Human))	BDBM50170653 ((11beta)-11,21-dihydroxypregn-4-ene-3,20-dione | 1...) Show SMILES C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)CO |r,t:9| Show InChI InChI=1S/C21H30O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h9,14-17,19,22,24H,3-8,10-11H2,1-2H3/t14-,15-,16+,17-,19+,20-,21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	290	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description TP_TRANSPORTER: inhibition of MPP+ uptake (MPP+: 0.25 uM) in OCT3-expressing HEK293 cells				Br J Pharmacol 136: 829-36 (2002) Article DOI: 10.1038/sj.bjp.0704785 BindingDB Entry DOI: 10.7270/Q29Z9656
					More data for this Ligand-Target Pair				3D Structure (crystal)
Solute carrier family 22 member 1 (Homo sapiens (Human))	BDBM50420232 (CHEMBL2074900) Show SMILES CN(CCCl)C1c2ccccc2-c2ccccc12 Show InChI InChI=1S/C16H16ClN/c1-18(11-10-17)16-14-8-4-2-6-12(14)13-7-3-5-9-15(13)16/h2-9,16H,10-11H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>300	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description TP_TRANSPORTER: inhibition of MPP+ uptake (MPP+: 0.25 uM) in OCT1-expressing HEK293 cells				Br J Pharmacol 136: 829-36 (2002) Article DOI: 10.1038/sj.bjp.0704785 BindingDB Entry DOI: 10.7270/Q29Z9656
					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	390	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of BCRP expressed in MCF-7 MX cells using Hoechst 33342 staining				Bioorg Med Chem 19: 2090-102 (2011) Article DOI: 10.1016/j.bmc.2010.12.043 BindingDB Entry DOI: 10.7270/Q2PZ593F
					More data for this Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human))	BDBM50338974 (2-(3,4-Dimethoxy-phenyl)-5-hydroxy-3,7-dimethoxy-c...) Show SMILES COc1cc(O)c2c(c1)oc(-c1ccc(OC)c(OC)c1)c(OC)c2=O Show InChI InChI=1S/C19H18O7/c1-22-11-8-12(20)16-15(9-11)26-18(19(25-4)17(16)21)10-5-6-13(23-2)14(7-10)24-3/h5-9,20H,1-4H3	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	390	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of BCRP expressed in MDCK cells using Hoechst 33342 staining				Bioorg Med Chem 19: 2090-102 (2011) Article DOI: 10.1016/j.bmc.2010.12.043 BindingDB Entry DOI: 10.7270/Q2PZ593F
					More data for this Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human))	BDBM50064888 (3',5-dihydroxy-3,4',7-trimethoxyflavone | 5-hydrox...) Show SMILES COc1cc(O)c2c(c1)oc(-c1ccc(OC)c(O)c1)c(OC)c2=O Show InChI InChI=1S/C18H16O7/c1-22-10-7-12(20)15-14(8-10)25-17(18(24-3)16(15)21)9-4-5-13(23-2)11(19)6-9/h4-8,19-20H,1-3H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	460	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of BCRP expressed in MDCK cells using Hoechst 33342 staining				Bioorg Med Chem 19: 2090-102 (2011) Article DOI: 10.1016/j.bmc.2010.12.043 BindingDB Entry DOI: 10.7270/Q2PZ593F
					More data for this Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human))	BDBM50064888 (3',5-dihydroxy-3,4',7-trimethoxyflavone | 5-hydrox...) Show SMILES COc1cc(O)c2c(c1)oc(-c1ccc(OC)c(O)c1)c(OC)c2=O Show InChI InChI=1S/C18H16O7/c1-22-10-7-12(20)15-14(8-10)25-17(18(24-3)16(15)21)9-4-5-13(23-2)11(19)6-9/h4-8,19-20H,1-3H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	680	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of BCRP expressed in MCF-7 MX cells using Hoechst 33342 staining				Bioorg Med Chem 19: 2090-102 (2011) Article DOI: 10.1016/j.bmc.2010.12.043 BindingDB Entry DOI: 10.7270/Q2PZ593F
					More data for this Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human))	BDBM50338974 (2-(3,4-Dimethoxy-phenyl)-5-hydroxy-3,7-dimethoxy-c...) Show SMILES COc1cc(O)c2c(c1)oc(-c1ccc(OC)c(OC)c1)c(OC)c2=O Show InChI InChI=1S/C19H18O7/c1-22-11-8-12(20)16-15(9-11)26-18(19(25-4)17(16)21)10-5-6-13(23-2)14(7-10)24-3/h5-9,20H,1-4H3	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	900	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of BCRP expressed in MCF-7 MX cells using Hoechst 33342 staining				Bioorg Med Chem 19: 2090-102 (2011) Article DOI: 10.1016/j.bmc.2010.12.043 BindingDB Entry DOI: 10.7270/Q2PZ593F
					More data for this Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human))	BDBM50075373 (1N-{4-[2-(6,7-dimethoxy-1,2,3,4-tetrahydro-2-isoqu...) Show SMILES COc1cc2CCN(CCc3ccc(NC(=O)c4cc(OC)c(OC)cc4NC(=O)c4cnc5ccccc5c4)cc3)Cc2cc1OC Show InChI InChI=1S/C38H38N4O6/c1-45-33-18-25-14-16-42(23-28(25)19-34(33)46-2)15-13-24-9-11-29(12-10-24)40-38(44)30-20-35(47-3)36(48-4)21-32(30)41-37(43)27-17-26-7-5-6-8-31(26)39-22-27/h5-12,17-22H,13-16,23H2,1-4H3,(H,40,44)(H,41,43)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	940	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of BCRP expressed in MDCK cells using Hoechst 33342 staining				Bioorg Med Chem 19: 2090-102 (2011) Article DOI: 10.1016/j.bmc.2010.12.043 BindingDB Entry DOI: 10.7270/Q2PZ593F
					More data for this Ligand-Target Pair				3D Structure (crystal)
Solute carrier family 22 member 1 (Homo sapiens (Human))	BDBM39687 ((2E)-1-ethyl-2-[(1-ethyl-2-quinolin-1-iumyl)methyl...) Show SMILES CCN1\C(=C\c2ccc3ccccc3[n+]2CC)C=Cc2ccccc12 |c:19| Show InChI InChI=1S/C23H23N2/c1-3-24-20(15-13-18-9-5-7-11-22(18)24)17-21-16-14-19-10-6-8-12-23(19)25(21)4-2/h5-17H,3-4H2,1-2H3/q+1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	980	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description TP_TRANSPORTER: inhibition of MPP+ uptake (MPP+: 0.25 uM) in OCT1-expressing HEK293 cells				Br J Pharmacol 136: 829-36 (2002) Article DOI: 10.1038/sj.bjp.0704785 BindingDB Entry DOI: 10.7270/Q29Z9656
					More data for this Ligand-Target Pair
Solute carrier family 22 member 2 (Homo sapiens (Human))	BDBM39687 ((2E)-1-ethyl-2-[(1-ethyl-2-quinolin-1-iumyl)methyl...) Show SMILES CCN1\C(=C\c2ccc3ccccc3[n+]2CC)C=Cc2ccccc12 |c:19| Show InChI InChI=1S/C23H23N2/c1-3-24-20(15-13-18-9-5-7-11-22(18)24)17-21-16-14-19-10-6-8-12-23(19)25(21)4-2/h5-17H,3-4H2,1-2H3/q+1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.13E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description TP_TRANSPORTER: inhibition of MPP+ uptake (MPP+: 0.25 uM) in OCT2-expressing HEK293 cells				Br J Pharmacol 136: 829-36 (2002) Article DOI: 10.1038/sj.bjp.0704785 BindingDB Entry DOI: 10.7270/Q29Z9656
					More data for this Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human))	BDBM50338973 (5,4'-dihydroxy-3,6,7-trimethoxyflavanone | 5-Hydro...) Show SMILES COc1cc2oc(-c3ccc(O)cc3)c(OC)c(=O)c2c(O)c1OC Show InChI InChI=1S/C18H16O7/c1-22-12-8-11-13(14(20)17(12)23-2)15(21)18(24-3)16(25-11)9-4-6-10(19)7-5-9/h4-8,19-20H,1-3H3	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	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of BCRP expressed in MDCK cells using Hoechst 33342 staining				Bioorg Med Chem 19: 2090-102 (2011) Article DOI: 10.1016/j.bmc.2010.12.043 BindingDB Entry DOI: 10.7270/Q2PZ593F
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50338980 (CHEMBL1685073 | neocalycopteron-4-methylether) Show SMILES CO[C@H]1C[C@@H](Oc2c(OC)c(OC)c3c(O[C@]45O[C@H](CC=C4C(=O)C(OC)=C(OC)[C@]35OC)c3ccccc3)c12)c1ccccc1 |r,c:20,t:27| Show InChI InChI=1S/C36H36O10/c1-38-25-19-24(21-15-11-8-12-16-21)44-30-26(25)29-27(31(39-2)33(30)41-4)35(43-6)34(42-5)32(40-3)28(37)22-17-18-23(45-36(22,35)46-29)20-13-9-7-10-14-20/h7-17,23-25H,18-19H2,1-6H3/t23-,24-,25+,35-,36-/m1/s1	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of MDR1 expressed in MDCK cells using rhodamine 123 staining by flow cytometry				Bioorg Med Chem 19: 2090-102 (2011) Article DOI: 10.1016/j.bmc.2010.12.043 BindingDB Entry DOI: 10.7270/Q2PZ593F
					More data for this Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human))	BDBM50064900 (2-(3,4-Dimethoxy-phenyl)-3,5,6,7,8-pentamethoxy-ch...) Show SMILES COc1ccc(cc1OC)-c1oc2c(OC)c(OC)c(OC)c(OC)c2c(=O)c1OC Show InChI InChI=1S/C22H24O9/c1-24-12-9-8-11(10-13(12)25-2)16-19(27-4)15(23)14-17(26-3)20(28-5)22(30-7)21(29-6)18(14)31-16/h8-10H,1-7H3	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	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of BCRP expressed in MDCK cells using Hoechst 33342 staining				Bioorg Med Chem 19: 2090-102 (2011) Article DOI: 10.1016/j.bmc.2010.12.043 BindingDB Entry DOI: 10.7270/Q2PZ593F
					More data for this Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human))	BDBM50075373 (1N-{4-[2-(6,7-dimethoxy-1,2,3,4-tetrahydro-2-isoqu...) Show SMILES COc1cc2CCN(CCc3ccc(NC(=O)c4cc(OC)c(OC)cc4NC(=O)c4cnc5ccccc5c4)cc3)Cc2cc1OC Show InChI InChI=1S/C38H38N4O6/c1-45-33-18-25-14-16-42(23-28(25)19-34(33)46-2)15-13-24-9-11-29(12-10-24)40-38(44)30-20-35(47-3)36(48-4)21-32(30)41-37(43)27-17-26-7-5-6-8-31(26)39-22-27/h5-12,17-22H,13-16,23H2,1-4H3,(H,40,44)(H,41,43)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of BCRP expressed in MCF-7 MX cells using Hoechst 33342 staining				Bioorg Med Chem 19: 2090-102 (2011) Article DOI: 10.1016/j.bmc.2010.12.043 BindingDB Entry DOI: 10.7270/Q2PZ593F
					More data for this Ligand-Target Pair				3D Structure (crystal)
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human))	BDBM7461 (5,7-dihydroxy-2-phenyl-4H-chromen-4-one | 5,7-dihy...) Show SMILES Oc1cc(O)c2c(c1)oc(cc2=O)-c1ccccc1 Show InChI InChI=1S/C15H10O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-8,16-17H	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of BCRP expressed in MDCK cells using Hoechst 33342 staining				Bioorg Med Chem 19: 2090-102 (2011) Article DOI: 10.1016/j.bmc.2010.12.043 BindingDB Entry DOI: 10.7270/Q2PZ593F
					More data for this Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human))	BDBM7461 (5,7-dihydroxy-2-phenyl-4H-chromen-4-one | 5,7-dihy...) Show SMILES Oc1cc(O)c2c(c1)oc(cc2=O)-c1ccccc1 Show InChI InChI=1S/C15H10O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-8,16-17H	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of BCRP expressed in MDCK cells using Hoechst 33342 staining				Bioorg Med Chem 19: 2090-102 (2011) Article DOI: 10.1016/j.bmc.2010.12.043 BindingDB Entry DOI: 10.7270/Q2PZ593F
					More data for this Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human))	BDBM50064900 (2-(3,4-Dimethoxy-phenyl)-3,5,6,7,8-pentamethoxy-ch...) Show SMILES COc1ccc(cc1OC)-c1oc2c(OC)c(OC)c(OC)c(OC)c2c(=O)c1OC Show InChI InChI=1S/C22H24O9/c1-24-12-9-8-11(10-13(12)25-2)16-19(27-4)15(23)14-17(26-3)20(28-5)22(30-7)21(29-6)18(14)31-16/h8-10H,1-7H3	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	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of BCRP expressed in MCF-7 MX cells using Hoechst 33342 staining				Bioorg Med Chem 19: 2090-102 (2011) Article DOI: 10.1016/j.bmc.2010.12.043 BindingDB Entry DOI: 10.7270/Q2PZ593F
					More data for this Ligand-Target Pair
Solute carrier family 22 member 1 (Homo sapiens (Human))	BDBM29568 (CHEMBL2 | PRAZOSIN | PRAZOSIN HYDROCHLORIDE | [3H]...) Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)c1ccco1 Show InChI InChI=1S/C19H21N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h3-4,9-11H,5-8H2,1-2H3,(H2,20,21,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.84E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description TP_TRANSPORTER: inhibition of MPP+ uptake (MPP+: 0.25 uM) in OCT1-expressing HEK293 cells				Br J Pharmacol 136: 829-36 (2002) Article DOI: 10.1038/sj.bjp.0704785 BindingDB Entry DOI: 10.7270/Q29Z9656
					More data for this Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human))	BDBM50338973 (5,4'-dihydroxy-3,6,7-trimethoxyflavanone | 5-Hydro...) Show SMILES COc1cc2oc(-c3ccc(O)cc3)c(OC)c(=O)c2c(O)c1OC Show InChI InChI=1S/C18H16O7/c1-22-12-8-11-13(14(20)17(12)23-2)15(21)18(24-3)16(25-11)9-4-6-10(19)7-5-9/h4-8,19-20H,1-3H3	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	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of BCRP expressed in MCF-7 MX cells using Hoechst 33342 staining				Bioorg Med Chem 19: 2090-102 (2011) Article DOI: 10.1016/j.bmc.2010.12.043 BindingDB Entry DOI: 10.7270/Q2PZ593F
					More data for this Ligand-Target Pair
Solute carrier family 22 member 1 (Homo sapiens (Human))	BDBM50017679 (Benzyl-(2-chloro-ethyl)-(1-methyl-2-phenoxy-ethyl)...) Show SMILES CC(COc1ccccc1)N(CCCl)Cc1ccccc1 Show InChI InChI=1S/C18H22ClNO/c1-16(15-21-18-10-6-3-7-11-18)20(13-12-19)14-17-8-4-2-5-9-17/h2-11,16H,12-15H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	2.72E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description TP_TRANSPORTER: inhibition of MPP+ uptake (MPP+: 0.25 uM) in OCT1-expressing HEK293 cells				Br J Pharmacol 136: 829-36 (2002) Article DOI: 10.1038/sj.bjp.0704785 BindingDB Entry DOI: 10.7270/Q29Z9656
					More data for this Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human))	BDBM50338977 (5-Hydroxy-6-methyl-7-methoxy-flavone | 5-Hydroxy-7...) Show SMILES COc1cc2oc(cc(=O)c2c(O)c1C)-c1ccccc1 Show InChI InChI=1S/C17H14O4/c1-10-13(20-2)9-15-16(17(10)19)12(18)8-14(21-15)11-6-4-3-5-7-11/h3-9,19H,1-2H3	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	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of BCRP expressed in MCF-7 MX cells using Hoechst 33342 staining				Bioorg Med Chem 19: 2090-102 (2011) Article DOI: 10.1016/j.bmc.2010.12.043 BindingDB Entry DOI: 10.7270/Q2PZ593F
					More data for this Ligand-Target Pair
Solute carrier family 22 member 3 (Homo sapiens (Human))	BDBM17292 ((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...) Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] Show InChI InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	2.88E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description TP_TRANSPORTER: inhibition of MPP+ uptake (MPP+: 0.25 uM) in OCT3-expressing HEK293 cells				Br J Pharmacol 136: 829-36 (2002) Article DOI: 10.1038/sj.bjp.0704785 BindingDB Entry DOI: 10.7270/Q29Z9656
					More data for this Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human))	BDBM50338977 (5-Hydroxy-6-methyl-7-methoxy-flavone | 5-Hydroxy-7...) Show SMILES COc1cc2oc(cc(=O)c2c(O)c1C)-c1ccccc1 Show InChI InChI=1S/C17H14O4/c1-10-13(20-2)9-15-16(17(10)19)12(18)8-14(21-15)11-6-4-3-5-7-11/h3-9,19H,1-2H3	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	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of BCRP expressed in MDCK cells using Hoechst 33342 staining				Bioorg Med Chem 19: 2090-102 (2011) Article DOI: 10.1016/j.bmc.2010.12.043 BindingDB Entry DOI: 10.7270/Q2PZ593F
					More data for this Ligand-Target Pair
Solute carrier family 22 member 1 (Homo sapiens (Human))	BDBM8903 ((1S,2R,10S,11S,14S,15S)-14-acetyl-2,15-dimethyltet...) Show SMILES [H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C |r,t:20| Show InChI InChI=1S/C21H30O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h12,16-19H,4-11H2,1-3H3/t16-,17+,18-,19-,20-,21+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	3.05E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description TP_TRANSPORTER: inhibition of MPP+ uptake (MPP+: 0.25 uM) in OCT1-expressing HEK293 cells				Br J Pharmacol 136: 829-36 (2002) Article DOI: 10.1038/sj.bjp.0704785 BindingDB Entry DOI: 10.7270/Q29Z9656
					More data for this Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human))	BDBM7458 (5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one...) Show SMILES Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)cc2o1 Show InChI InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	3.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of BCRP expressed in MDCK cells using Hoechst 33342 staining				Bioorg Med Chem 19: 2090-102 (2011) Article DOI: 10.1016/j.bmc.2010.12.043 BindingDB Entry DOI: 10.7270/Q2PZ593F
					More data for this Ligand-Target Pair

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