BindingDB PrimarySearch

Found 605 hits with Last Name = 'chan' and Initial = 'th'
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Geranylgeranyl pyrophosphate synthase BTS1 (Saccharomyces cerevisiae (Yeast))	BDBM25297 (1-(2-hydrogen phosphonato-2-hydroxy-2-phosphonoeth...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Biological Chemistry Curated by ChEMBL					Assay Description Binding affinity to Saccharomyces cerevisiae GGPPS				Proc Natl Acad Sci USA 104: 10022-7 (2007) Article DOI: 10.1073/pnas.0702254104 BindingDB Entry DOI: 10.7270/Q2MW2J2F
Institute of Biological Chemistry Curated by ChEMBL					More data for this Ligand-Target Pair
Geranylgeranyl pyrophosphate synthase (Homo sapiens (Human))	BDBM25266 (BPH-628 \| bisphosphonate, 21 \| {1-hydroxy-2-[3-(4-...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Biological Chemistry Curated by ChEMBL					Assay Description Binding affinity to human GGPPS				Proc Natl Acad Sci USA 104: 10022-7 (2007) Article DOI: 10.1073/pnas.0702254104 BindingDB Entry DOI: 10.7270/Q2MW2J2F
Institute of Biological Chemistry Curated by ChEMBL					More data for this Ligand-Target Pair
Geranylgeranyl pyrophosphate synthase BTS1 (Saccharomyces cerevisiae (Yeast))	BDBM25279 (BPH-608 \| bisphosphonate, 31 \| {1-hydroxy-2-[3-(3-...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Biological Chemistry Curated by ChEMBL					Assay Description Binding affinity to Saccharomyces cerevisiae GGPPS				Proc Natl Acad Sci USA 104: 10022-7 (2007) Article DOI: 10.1073/pnas.0702254104 BindingDB Entry DOI: 10.7270/Q2MW2J2F
Institute of Biological Chemistry Curated by ChEMBL					More data for this Ligand-Target Pair
Geranylgeranyl pyrophosphate synthase BTS1 (Saccharomyces cerevisiae (Yeast))	BDBM25266 (BPH-628 \| bisphosphonate, 21 \| {1-hydroxy-2-[3-(4-...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Biological Chemistry Curated by ChEMBL					Assay Description Binding affinity to Saccharomyces cerevisiae GGPPS				Proc Natl Acad Sci USA 104: 10022-7 (2007) Article DOI: 10.1073/pnas.0702254104 BindingDB Entry DOI: 10.7270/Q2MW2J2F
Institute of Biological Chemistry Curated by ChEMBL					More data for this Ligand-Target Pair
Geranylgeranyl pyrophosphate synthase BTS1 (Saccharomyces cerevisiae (Yeast))	BDBM25289 (bisphosphonate, 38 \| {1-hydroxy-2-[3-(3-phenylphen...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem	Article PubMed	60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Biological Chemistry Curated by ChEMBL					Assay Description Binding affinity to Saccharomyces cerevisiae GGPPS				Proc Natl Acad Sci USA 104: 10022-7 (2007) Article DOI: 10.1073/pnas.0702254104 BindingDB Entry DOI: 10.7270/Q2MW2J2F
Institute of Biological Chemistry Curated by ChEMBL					More data for this Ligand-Target Pair
Geranylgeranyl pyrophosphate synthase (Homo sapiens (Human))	BDBM25279 (BPH-608 \| bisphosphonate, 31 \| {1-hydroxy-2-[3-(3-...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Biological Chemistry Curated by ChEMBL					Assay Description Binding affinity to human GGPPS				Proc Natl Acad Sci USA 104: 10022-7 (2007) Article DOI: 10.1073/pnas.0702254104 BindingDB Entry DOI: 10.7270/Q2MW2J2F
Institute of Biological Chemistry Curated by ChEMBL					More data for this Ligand-Target Pair
Geranylgeranyl pyrophosphate synthase (Homo sapiens (Human))	BDBM25284 ((1-hydroxy-2-{3-[3-(naphthalene-2-sulfonamido)phen...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Biological Chemistry Curated by ChEMBL					Assay Description Binding affinity to human GGPPS				Proc Natl Acad Sci USA 104: 10022-7 (2007) Article DOI: 10.1073/pnas.0702254104 BindingDB Entry DOI: 10.7270/Q2MW2J2F
Institute of Biological Chemistry Curated by ChEMBL					More data for this Ligand-Target Pair
Geranylgeranyl pyrophosphate synthase BTS1 (Saccharomyces cerevisiae (Yeast))	BDBM25284 ((1-hydroxy-2-{3-[3-(naphthalene-2-sulfonamido)phen...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Biological Chemistry Curated by ChEMBL					Assay Description Binding affinity to Saccharomyces cerevisiae GGPPS				Proc Natl Acad Sci USA 104: 10022-7 (2007) Article DOI: 10.1073/pnas.0702254104 BindingDB Entry DOI: 10.7270/Q2MW2J2F
Institute of Biological Chemistry Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Geranylgeranyl pyrophosphate synthase (Homo sapiens (Human))	BDBM25288 (BPH-629 \| [1-hydroxy-2-(3-{8-oxatricyclo[7.4.0.0^{...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem	Article PubMed	110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Biological Chemistry Curated by ChEMBL					Assay Description Binding affinity to human GGPPS				Proc Natl Acad Sci USA 104: 10022-7 (2007) Article DOI: 10.1073/pnas.0702254104 BindingDB Entry DOI: 10.7270/Q2MW2J2F
Institute of Biological Chemistry Curated by ChEMBL					More data for this Ligand-Target Pair
Geranylgeranyl pyrophosphate synthase BTS1 (Saccharomyces cerevisiae (Yeast))	BDBM25288 (BPH-629 \| [1-hydroxy-2-(3-{8-oxatricyclo[7.4.0.0^{...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem	PDB Article PubMed	110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Biological Chemistry Curated by ChEMBL					Assay Description Binding affinity to Saccharomyces cerevisiae GGPPS				Proc Natl Acad Sci USA 104: 10022-7 (2007) Article DOI: 10.1073/pnas.0702254104 BindingDB Entry DOI: 10.7270/Q2MW2J2F
Institute of Biological Chemistry Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Geranylgeranyl pyrophosphate synthase (Homo sapiens (Human))	BDBM25289 (bisphosphonate, 38 \| {1-hydroxy-2-[3-(3-phenylphen...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem	Article PubMed	110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Biological Chemistry Curated by ChEMBL					Assay Description Binding affinity to human GGPPS				Proc Natl Acad Sci USA 104: 10022-7 (2007) Article DOI: 10.1073/pnas.0702254104 BindingDB Entry DOI: 10.7270/Q2MW2J2F
Institute of Biological Chemistry Curated by ChEMBL					More data for this Ligand-Target Pair
Geranylgeranyl pyrophosphate synthase BTS1 (Saccharomyces cerevisiae (Yeast))	BDBM25308 ((1-hydroxy-2-{imidazo[1,2-a]pyridin-3-yl}-1-phosph...) Show SMILES OC(Cc1cnc2ccccn12)(P(O)(O)=O)P(O)(O)=O Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Biological Chemistry Curated by ChEMBL					Assay Description Binding affinity to Saccharomyces cerevisiae GGPPS				Proc Natl Acad Sci USA 104: 10022-7 (2007) Article DOI: 10.1073/pnas.0702254104 BindingDB Entry DOI: 10.7270/Q2MW2J2F
Institute of Biological Chemistry Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Multidrug resistance-associated protein 1 (Homo sapiens (Human))	BDBM50295478 (1,16-Bis[40-((6-methyl)-4H-chromen-4-on-2-yl)pheny...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Hong Kong Polytechnic University Curated by ChEMBL					Assay Description Inhibition of MRP1 in human 2008/MRP1 cells by dixon plot analysis				J Med Chem 52: 5311-22 (2009) Article DOI: 10.1021/jm900194w BindingDB Entry DOI: 10.7270/Q25B02H5
The Hong Kong Polytechnic University Curated by ChEMBL					More data for this Ligand-Target Pair
Multidrug resistance-associated protein 1 (Homo sapiens (Human))	BDBM50295478 (1,16-Bis[40-((6-methyl)-4H-chromen-4-on-2-yl)pheny...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Hong Kong Polytechnic University Curated by ChEMBL					Assay Description Inhibition of MRP1 in human 2008/MRP1 cells by Lineweaver-Burke plot analysis				J Med Chem 52: 5311-22 (2009) Article DOI: 10.1021/jm900194w BindingDB Entry DOI: 10.7270/Q25B02H5
The Hong Kong Polytechnic University Curated by ChEMBL					More data for this Ligand-Target Pair
Geranylgeranyl pyrophosphate synthase (Homo sapiens (Human))	BDBM25297 (1-(2-hydrogen phosphonato-2-hydroxy-2-phosphonoeth...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Biological Chemistry Curated by ChEMBL					Assay Description Binding affinity to human GGPPS				Proc Natl Acad Sci USA 104: 10022-7 (2007) Article DOI: 10.1073/pnas.0702254104 BindingDB Entry DOI: 10.7270/Q2MW2J2F
Institute of Biological Chemistry Curated by ChEMBL					More data for this Ligand-Target Pair
Geranylgeranyl pyrophosphate synthase BTS1 (Saccharomyces cerevisiae (Yeast))	BDBM12578 (2-(imidazol-1-yl)-1-hydroxyethylidene-1,1-bisphosp...) Show SMILES OC(Cn1ccnc1)(P(O)(O)=O)P(O)(O)=O Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Biological Chemistry Curated by ChEMBL					Assay Description Binding affinity to Saccharomyces cerevisiae GGPPS				Proc Natl Acad Sci USA 104: 10022-7 (2007) Article DOI: 10.1073/pnas.0702254104 BindingDB Entry DOI: 10.7270/Q2MW2J2F
Institute of Biological Chemistry Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50486029 (CHEMBL2172398) Show SMILES Show InChI	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Hong Kong Polytechnic University Curated by ChEMBL					Assay Description Competitive inhibition of P-gp overexpressed in human MDA435/LCC6MDR cells assessed as accumulation of doxorubicin by Dixon plot analysis				J Med Chem 55: 1999-2014 (2012) Article DOI: 10.1021/jm201121b BindingDB Entry DOI: 10.7270/Q2JW8HRN
The Hong Kong Polytechnic University Curated by ChEMBL					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50486029 (CHEMBL2172398) Show SMILES Show InChI	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	340	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Hong Kong Polytechnic University Curated by ChEMBL					Assay Description Competitive inhibition of P-gp overexpressed in human MDA435/LCC6MDR cells assessed as accumulation of doxorubicin by Lineweaver-Burk plot analysis				J Med Chem 55: 1999-2014 (2012) Article DOI: 10.1021/jm201121b BindingDB Entry DOI: 10.7270/Q2JW8HRN
The Hong Kong Polytechnic University Curated by ChEMBL					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM81939 (CAS_52-53-9 \| NSC_62969 \| VERAPAMIL) Show SMILES Show InChI	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	1.75E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Hong Kong Polytechnic University Curated by ChEMBL					Assay Description Competitive inhibition of P-gp overexpressed in human MDA435/LCC6MDR cells assessed as accumulation of doxorubicin by Dixon plot analysis				J Med Chem 55: 1999-2014 (2012) Article DOI: 10.1021/jm201121b BindingDB Entry DOI: 10.7270/Q2JW8HRN
The Hong Kong Polytechnic University Curated by ChEMBL					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM81939 (CAS_52-53-9 \| NSC_62969 \| VERAPAMIL) Show SMILES Show InChI	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	1.75E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Hong Kong Polytechnic University Curated by ChEMBL					Assay Description Competitive inhibition of P-gp overexpressed in human MDA435/LCC6MDR cells assessed as accumulation of doxorubicin by Lineweaver-Burk plot analysis				J Med Chem 55: 1999-2014 (2012) Article DOI: 10.1021/jm201121b BindingDB Entry DOI: 10.7270/Q2JW8HRN
The Hong Kong Polytechnic University Curated by ChEMBL					More data for this Ligand-Target Pair
Geranylgeranyl pyrophosphate synthase (Homo sapiens (Human))	BDBM25308 ((1-hydroxy-2-{imidazo[1,2-a]pyridin-3-yl}-1-phosph...) Show SMILES OC(Cc1cnc2ccccn12)(P(O)(O)=O)P(O)(O)=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Biological Chemistry Curated by ChEMBL					Assay Description Binding affinity to human GGPPS				Proc Natl Acad Sci USA 104: 10022-7 (2007) Article DOI: 10.1073/pnas.0702254104 BindingDB Entry DOI: 10.7270/Q2MW2J2F
Institute of Biological Chemistry Curated by ChEMBL					More data for this Ligand-Target Pair
Multidrug resistance-associated protein 1 (Homo sapiens (Human))	BDBM15236 (3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chr...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Hong Kong Polytechnic University Curated by ChEMBL					Assay Description Inhibition of MRP1 transfected in human HeLa cells assessed as inhibition of [3H]LTC4 transport by rapid filtration assay				J Med Chem 52: 5311-22 (2009) Article DOI: 10.1021/jm900194w BindingDB Entry DOI: 10.7270/Q25B02H5
The Hong Kong Polytechnic University Curated by ChEMBL					More data for this Ligand-Target Pair
Multidrug resistance-associated protein 1 (Homo sapiens (Human))	BDBM23419 ((2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Hong Kong Polytechnic University Curated by ChEMBL					Assay Description Inhibition of MRP1 transfected in human HeLa cells assessed as inhibition of [3H]LTC4 transport by rapid filtration assay				J Med Chem 52: 5311-22 (2009) Article DOI: 10.1021/jm900194w BindingDB Entry DOI: 10.7270/Q25B02H5
The Hong Kong Polytechnic University Curated by ChEMBL					More data for this Ligand-Target Pair
Multidrug resistance-associated protein 1 (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	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Hong Kong Polytechnic University Curated by ChEMBL					Assay Description Inhibition of MRP1 transfected in human HeLa cells assessed as inhibition of [3H]LTC4 transport by rapid filtration assay				J Med Chem 52: 5311-22 (2009) Article DOI: 10.1021/jm900194w BindingDB Entry DOI: 10.7270/Q25B02H5
The Hong Kong Polytechnic University Curated by ChEMBL					More data for this Ligand-Target Pair
Multidrug resistance-associated protein 1 (Homo sapiens (Human))	BDBM7462 (3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-...) Show SMILES Oc1ccc(cc1)-c1oc2cc(O)cc(O)c2c(=O)c1O Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Hong Kong Polytechnic University Curated by ChEMBL					Assay Description Inhibition of MRP1 transfected in human HeLa cells assessed as inhibition of [3H]LTC4 transport by rapid filtration assay				J Med Chem 52: 5311-22 (2009) Article DOI: 10.1021/jm900194w BindingDB Entry DOI: 10.7270/Q25B02H5
The Hong Kong Polytechnic University Curated by ChEMBL					More data for this Ligand-Target Pair
Multidrug resistance-associated protein 1 (Homo sapiens (Human))	BDBM7460 (2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chrome...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Hong Kong Polytechnic University Curated by ChEMBL					Assay Description Inhibition of MRP1 transfected in human HeLa cells assessed as inhibition of [3H]LTC4 transport by rapid filtration assay				J Med Chem 52: 5311-22 (2009) Article DOI: 10.1021/jm900194w BindingDB Entry DOI: 10.7270/Q25B02H5
The Hong Kong Polytechnic University Curated by ChEMBL					More data for this Ligand-Target Pair
Geranylgeranyl pyrophosphate synthase (Homo sapiens (Human))	BDBM12578 (2-(imidazol-1-yl)-1-hydroxyethylidene-1,1-bisphosp...) Show SMILES OC(Cn1ccnc1)(P(O)(O)=O)P(O)(O)=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Biological Chemistry Curated by ChEMBL					Assay Description Binding affinity to human GGPPS				Proc Natl Acad Sci USA 104: 10022-7 (2007) Article DOI: 10.1073/pnas.0702254104 BindingDB Entry DOI: 10.7270/Q2MW2J2F
Institute of Biological Chemistry Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Multidrug resistance-associated protein 1 (Homo sapiens (Human))	BDBM50033767 (3,3',4',5',7-pentahydroxy flavone \| 3,7,3',4',5'-P...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Hong Kong Polytechnic University Curated by ChEMBL					Assay Description Inhibition of MRP1 transfected in MDCK2 cells assessed as inhibition of calcein transport				J Med Chem 52: 5311-22 (2009) Article DOI: 10.1021/jm900194w BindingDB Entry DOI: 10.7270/Q25B02H5
The Hong Kong Polytechnic University Curated by ChEMBL					More data for this Ligand-Target Pair
Multidrug resistance-associated protein 1 (Homo sapiens (Human))	BDBM81939 (CAS_52-53-9 \| NSC_62969 \| VERAPAMIL) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	1.32E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Hong Kong Polytechnic University Curated by ChEMBL					Assay Description Inhibition of MRP1 in human 2008/MRP1 cells by Lineweaver-Burke plot analysis				J Med Chem 52: 5311-22 (2009) Article DOI: 10.1021/jm900194w BindingDB Entry DOI: 10.7270/Q25B02H5
The Hong Kong Polytechnic University Curated by ChEMBL					More data for this Ligand-Target Pair
Multidrug resistance-associated protein 1 (Homo sapiens (Human))	BDBM81939 (CAS_52-53-9 \| NSC_62969 \| VERAPAMIL) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	1.34E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Hong Kong Polytechnic University Curated by ChEMBL					Assay Description Inhibition of MRP1 in human 2008/MRP1 cells by dixon plot analysis				J Med Chem 52: 5311-22 (2009) Article DOI: 10.1021/jm900194w BindingDB Entry DOI: 10.7270/Q25B02H5
The Hong Kong Polytechnic University Curated by ChEMBL					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Klebsiella pneumoniae)	BDBM50548231 (CHEMBL4753599) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of wild type N-terminal His6-tagged Klebsiella pneumoniae NDM-1 expressed in Escherichia coli BL21 assessed as inhibition constant using n...				Citation and Details Article DOI: 10.1016/j.ejmech.2018.06.007 BindingDB Entry DOI: 10.7270/Q2SB49CC
TBA					More data for this Ligand-Target Pair
Multidrug resistance-associated protein 1 (Homo sapiens (Human))	BDBM50001285 ((E)-3-((3-(2-(7-chloroquinolin-2-yl)vinyl)phenyl)(...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	1.35E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Hong Kong Polytechnic University Curated by ChEMBL					Assay Description Inhibition of MRP1 in human 2008/MRP1 cells by Lineweaver-Burke plot analysis				J Med Chem 52: 5311-22 (2009) Article DOI: 10.1021/jm900194w BindingDB Entry DOI: 10.7270/Q25B02H5
The Hong Kong Polytechnic University Curated by ChEMBL					More data for this Ligand-Target Pair
Multidrug resistance-associated protein 1 (Homo sapiens (Human))	BDBM50001285 ((E)-3-((3-(2-(7-chloroquinolin-2-yl)vinyl)phenyl)(...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	1.40E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Hong Kong Polytechnic University Curated by ChEMBL					Assay Description Inhibition of MRP1 in human 2008/MRP1 cells by dixon plot analysis				J Med Chem 52: 5311-22 (2009) Article DOI: 10.1021/jm900194w BindingDB Entry DOI: 10.7270/Q25B02H5
The Hong Kong Polytechnic University Curated by ChEMBL					More data for this Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human))	BDBM50505459 (CHEMBL4589907) Show SMILES 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	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
Hong Kong Polytechnic University Curated by ChEMBL					More data for this Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human))	BDBM50505456 (CHEMBL4440681) Show SMILES 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	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
Hong Kong Polytechnic University Curated by ChEMBL					More data for this Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human))	BDBM50505460 (CHEMBL4474920) Show SMILES 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	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
Hong Kong Polytechnic University Curated by ChEMBL					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 Show InChI	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
Hong Kong Polytechnic University Curated by ChEMBL					More data for this Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human))	BDBM50505458 (CHEMBL4453052) Show SMILES 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	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
Hong Kong Polytechnic University Curated by ChEMBL					More data for this Ligand-Target Pair
Multidrug resistance-associated protein 1 (Homo sapiens (Human))	BDBM67690 (1,4-bis[2-(2-hydroxyethylamino)ethylamino]-5,8-bis...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Hong Kong Polytechnic University Curated by ChEMBL					Assay Description Inhibition of MRP1 in human 2008/MRP1 cells assessed as reduction in cell viability after 5 days by MTS/PMS assay				J Med Chem 62: 8578-8608 (2019) Article DOI: 10.1021/acs.jmedchem.9b00963 BindingDB Entry DOI: 10.7270/Q28S4T5Q
Hong Kong Polytechnic University Curated by ChEMBL					More data for this Ligand-Target Pair
Geranylgeranyl pyrophosphate synthase BTS1 (Saccharomyces cerevisiae (Yeast))	BDBM25297 (1-(2-hydrogen phosphonato-2-hydroxy-2-phosphonoeth...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Biological Chemistry Curated by ChEMBL					Assay Description Inhibition of Saccharomyces cerevisiae GGPPS				Proc Natl Acad Sci USA 104: 10022-7 (2007) Article DOI: 10.1073/pnas.0702254104 BindingDB Entry DOI: 10.7270/Q2MW2J2F
Institute of Biological Chemistry Curated by ChEMBL					More data for this Ligand-Target Pair
Geranylgeranyl pyrophosphate synthase BTS1 (Saccharomyces cerevisiae (Yeast))	BDBM25279 (BPH-608 \| bisphosphonate, 31 \| {1-hydroxy-2-[3-(3-...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Biological Chemistry Curated by ChEMBL					Assay Description Inhibition of Saccharomyces cerevisiae GGPPS				Proc Natl Acad Sci USA 104: 10022-7 (2007) Article DOI: 10.1073/pnas.0702254104 BindingDB Entry DOI: 10.7270/Q2MW2J2F
Institute of Biological Chemistry Curated by ChEMBL					More data for this Ligand-Target Pair
Geranylgeranyl pyrophosphate synthase BTS1 (Saccharomyces cerevisiae (Yeast))	BDBM25266 (BPH-628 \| bisphosphonate, 21 \| {1-hydroxy-2-[3-(4-...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Biological Chemistry Curated by ChEMBL					Assay Description Inhibition of Saccharomyces cerevisiae GGPPS				Proc Natl Acad Sci USA 104: 10022-7 (2007) Article DOI: 10.1073/pnas.0702254104 BindingDB Entry DOI: 10.7270/Q2MW2J2F
Institute of Biological Chemistry Curated by ChEMBL					More data for this Ligand-Target Pair
Geranylgeranyl pyrophosphate synthase (Homo sapiens (Human))	BDBM25256 (bisphosphonate, 9 \| hydrogen [2-(dodecyldimethylph...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	7.0	37
National Taiwan University					Assay Description The inhibitory activity of each test compound was evaluated by monitoring the formation of [14C]GGPP from FPP, using [14C]IPP as the substrate. To co...				J Med Chem 51: 5594-607 (2008) Article DOI: 10.1021/jm800325y BindingDB Entry DOI: 10.7270/Q2028PVT
National Taiwan University					More data for this Ligand-Target Pair
Geranylgeranyl pyrophosphate synthase BTS1 (Saccharomyces cerevisiae (Yeast))	BDBM25289 (bisphosphonate, 38 \| {1-hydroxy-2-[3-(3-phenylphen...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Biological Chemistry Curated by ChEMBL					Assay Description Inhibition of Saccharomyces cerevisiae GGPPS				Proc Natl Acad Sci USA 104: 10022-7 (2007) Article DOI: 10.1073/pnas.0702254104 BindingDB Entry DOI: 10.7270/Q2MW2J2F
Institute of Biological Chemistry Curated by ChEMBL					More data for this Ligand-Target Pair
Geranylgeranyl pyrophosphate synthase BTS1 (Saccharomyces cerevisiae (Yeast))	BDBM25284 ((1-hydroxy-2-{3-[3-(naphthalene-2-sulfonamido)phen...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Biological Chemistry Curated by ChEMBL					Assay Description Inhibition of Saccharomyces cerevisiae GGPPS				Proc Natl Acad Sci USA 104: 10022-7 (2007) Article DOI: 10.1073/pnas.0702254104 BindingDB Entry DOI: 10.7270/Q2MW2J2F
Institute of Biological Chemistry Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Geranylgeranyl pyrophosphate synthase (Homo sapiens (Human))	BDBM25259 (3-(decyloxy)-1-(2-hydrogen phosphonato-2-phosphono...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	7.0	37
National Taiwan University					Assay Description The inhibitory activity of each test compound was evaluated by monitoring the formation of [14C]GGPP from FPP, using [14C]IPP as the substrate. To co...				J Med Chem 51: 5594-607 (2008) Article DOI: 10.1021/jm800325y BindingDB Entry DOI: 10.7270/Q2028PVT
National Taiwan University					More data for this Ligand-Target Pair
Geranylgeranyl pyrophosphate synthase BTS1 (Saccharomyces cerevisiae (Yeast))	BDBM25288 (BPH-629 \| [1-hydroxy-2-(3-{8-oxatricyclo[7.4.0.0^{...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Biological Chemistry Curated by ChEMBL					Assay Description Inhibition of Saccharomyces cerevisiae GGPPS				Proc Natl Acad Sci USA 104: 10022-7 (2007) Article DOI: 10.1073/pnas.0702254104 BindingDB Entry DOI: 10.7270/Q2MW2J2F
Institute of Biological Chemistry Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Geranylgeranyl pyrophosphate synthase (Homo sapiens (Human))	BDBM25258 (3-(decyloxy)-5-(2-hydrogen phosphonato-2-phosphono...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	7.0	37
National Taiwan University					Assay Description The inhibitory activity of each test compound was evaluated by monitoring the formation of [14C]GGPP from FPP, using [14C]IPP as the substrate. To co...				J Med Chem 51: 5594-607 (2008) Article DOI: 10.1021/jm800325y BindingDB Entry DOI: 10.7270/Q2028PVT
National Taiwan University					More data for this Ligand-Target Pair
Geranylgeranyl pyrophosphate synthase BTS1 (Saccharomyces cerevisiae (Yeast))	BDBM25308 ((1-hydroxy-2-{imidazo[1,2-a]pyridin-3-yl}-1-phosph...) Show SMILES OC(Cc1cnc2ccccn12)(P(O)(O)=O)P(O)(O)=O Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	340	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Biological Chemistry Curated by ChEMBL					Assay Description Inhibition of Saccharomyces cerevisiae GGPPS				Proc Natl Acad Sci USA 104: 10022-7 (2007) Article DOI: 10.1073/pnas.0702254104 BindingDB Entry DOI: 10.7270/Q2MW2J2F
Institute of Biological Chemistry Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Geranylgeranyl pyrophosphate synthase (Homo sapiens (Human))	BDBM25260 (bisphosphonate, 16 \| {2-[dodecyl(methyl)amino]-1-p...) Show SMILES CCCCCCCCCCCCN(C)CC(P(O)(O)=O)P(O)(O)=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	350	n/a	n/a	n/a	n/a	7.0	37
National Taiwan University					Assay Description The inhibitory activity of each test compound was evaluated by monitoring the formation of [14C]GGPP from FPP, using [14C]IPP as the substrate. To co...				J Med Chem 51: 5594-607 (2008) Article DOI: 10.1021/jm800325y BindingDB Entry DOI: 10.7270/Q2028PVT
National Taiwan University					More data for this Ligand-Target Pair

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