Found 6 hits of Enzyme Inhibition Constant Data 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)) | BDBM50321556
(8-hydroxy-5,10-dimethoxy-2-propyl-4H-benzo[h]chrom...)Show InChI InChI=1S/C18H18O5/c1-4-5-12-9-13(20)17-14(21-2)7-10-6-11(19)8-15(22-3)16(10)18(17)23-12/h6-9,19H,4-5H2,1-3H3 | 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 | 5.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
NCI-Frederick
Curated by ChEMBL
| Assay Description Inhibition of ABCG2-mediated drug efflux expressed in human NCI-H460 cells |
Bioorg Med Chem Lett 20: 3848-50 (2010)
Article DOI: 10.1016/j.bmcl.2010.05.057 BindingDB Entry DOI: 10.7270/Q2X63NX5 |
More data for this Ligand-Target Pair | |
Broad substrate specificity ATP-binding cassette transporter ABCG2
(Homo sapiens (Human)) | BDBM50221718
(CHEMBL400538 | comaparvin)Show InChI InChI=1S/C17H16O5/c1-3-4-11-8-13(20)16-12(19)6-9-5-10(18)7-14(21-2)15(9)17(16)22-11/h5-8,18-19H,3-4H2,1-2H3 | 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 | 9.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
NCI-Frederick
Curated by ChEMBL
| Assay Description Inhibition of ABCG2-mediated drug efflux expressed in human NCI-H460 cells |
Bioorg Med Chem Lett 20: 3848-50 (2010)
Article DOI: 10.1016/j.bmcl.2010.05.057 BindingDB Entry DOI: 10.7270/Q2X63NX5 |
More data for this Ligand-Target Pair | |
Broad substrate specificity ATP-binding cassette transporter ABCG2
(Homo sapiens (Human)) | BDBM50321557
(5,8-dihydroxy-6,10-dimethoxy-2-methyl-4H-benzo[h]c...)Show InChI InChI=1S/C16H14O6/c1-7-4-10(18)13-14(19)15(21-3)9-5-8(17)6-11(20-2)12(9)16(13)22-7/h4-6,17,19H,1-3H3 | 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 | 1.19E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
NCI-Frederick
Curated by ChEMBL
| Assay Description Inhibition of ABCG2-mediated drug efflux expressed in human NCI-H460 cells |
Bioorg Med Chem Lett 20: 3848-50 (2010)
Article DOI: 10.1016/j.bmcl.2010.05.057 BindingDB Entry DOI: 10.7270/Q2X63NX5 |
More data for this Ligand-Target Pair | |
Broad substrate specificity ATP-binding cassette transporter ABCG2
(Homo sapiens (Human)) | BDBM50242177
(5,8-dihydroxy-10-methoxy-2-methyl-4H-benzo[h]chrom...)Show InChI InChI=1S/C15H12O5/c1-7-3-10(17)14-11(18)5-8-4-9(16)6-12(19-2)13(8)15(14)20-7/h3-6,16,18H,1-2H3 | 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 | 1.28E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
NCI-Frederick
Curated by ChEMBL
| Assay Description Inhibition of ABCG2-mediated drug efflux expressed in human NCI-H460 cells |
Bioorg Med Chem Lett 20: 3848-50 (2010)
Article DOI: 10.1016/j.bmcl.2010.05.057 BindingDB Entry DOI: 10.7270/Q2X63NX5 |
More data for this Ligand-Target Pair | |
Broad substrate specificity ATP-binding cassette transporter ABCG2
(Homo sapiens (Human)) | BDBM50321555
(6-methoxycomaparvin 5-methyl ether | CHEMBL256967)Show InChI InChI=1S/C19H20O6/c1-5-6-11-9-13(21)16-18(25-11)15-12(17(23-3)19(16)24-4)7-10(20)8-14(15)22-2/h7-9,20H,5-6H2,1-4H3 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.66E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
NCI-Frederick
Curated by ChEMBL
| Assay Description Inhibition of ABCG2-mediated drug efflux expressed in human NCI-H460 cells |
Bioorg Med Chem Lett 20: 3848-50 (2010)
Article DOI: 10.1016/j.bmcl.2010.05.057 BindingDB Entry DOI: 10.7270/Q2X63NX5 |
More data for this Ligand-Target Pair | |
Broad substrate specificity ATP-binding cassette transporter ABCG2
(Homo sapiens (Human)) | BDBM50321558
(6-methoxycomaparvin | CHEMBL401565)Show InChI InChI=1S/C18H18O6/c1-4-5-10-8-12(20)15-16(21)17(23-3)11-6-9(19)7-13(22-2)14(11)18(15)24-10/h6-8,19,21H,4-5H2,1-3H3 | 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 | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
NCI-Frederick
Curated by ChEMBL
| Assay Description Inhibition of ABCG2-mediated drug efflux expressed in human NCI-H460 cells |
Bioorg Med Chem Lett 20: 3848-50 (2010)
Article DOI: 10.1016/j.bmcl.2010.05.057 BindingDB Entry DOI: 10.7270/Q2X63NX5 |
More data for this Ligand-Target Pair | |