Found 23 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)) | BDBM50087040
(CHEMBL3426401)Show SMILES CCCc1ccc(cc1)-n1nnc(n1)-c1ccccc1NC(=O)c1ccc(OC)cc1 Show InChI InChI=1S/C24H23N5O2/c1-3-6-17-9-13-19(14-10-17)29-27-23(26-28-29)21-7-4-5-8-22(21)25-24(30)18-11-15-20(31-2)16-12-18/h4-5,7-16H,3,6H2,1-2H3,(H,25,30) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
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 GFP-tagged human BCRP expressed in MDCK2 cells pre-incubated for 30 mins followed by Hoechst 33342 addition and further incubated for 1... |
J Med Chem 58: 3910-21 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00188 BindingDB Entry DOI: 10.7270/Q2WD4296 |
More data for this Ligand-Target Pair | |
Broad substrate specificity ATP-binding cassette transporter ABCG2
(Homo sapiens (Human)) | BDBM50086887
(CHEMBL3426399)Show SMILES COc1ccc(cc1)C(=O)Nc1ccccc1-c1nnn(n1)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C22H16F3N5O2/c1-32-17-12-6-14(7-13-17)21(31)26-19-5-3-2-4-18(19)20-27-29-30(28-20)16-10-8-15(9-11-16)22(23,24)25/h2-13H,1H3,(H,26,31) | 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 | 73 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description Inhibition of GFP-tagged human BCRP expressed in MDCK2 cells pre-incubated for 30 mins followed by Hoechst 33342 addition and further incubated for 1... |
J Med Chem 58: 3910-21 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00188 BindingDB Entry DOI: 10.7270/Q2WD4296 |
More data for this Ligand-Target Pair | |
Broad substrate specificity ATP-binding cassette transporter ABCG2
(Homo sapiens (Human)) | BDBM50086870
(CHEMBL3426387)Show SMILES COc1cccc(c1)-n1nnc(n1)-c1ccccc1NC(=O)c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C21H16N6O4/c1-31-17-6-4-5-16(13-17)26-24-20(23-25-26)18-7-2-3-8-19(18)22-21(28)14-9-11-15(12-10-14)27(29)30/h2-13H,1H3,(H,22,28) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
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 GFP-tagged human BCRP expressed in MDCK2 cells pre-incubated for 30 mins followed by Hoechst 33342 addition and further incubated for 1... |
J Med Chem 58: 3910-21 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00188 BindingDB Entry DOI: 10.7270/Q2WD4296 |
More data for this Ligand-Target Pair | |
Broad substrate specificity ATP-binding cassette transporter ABCG2
(Homo sapiens (Human)) | BDBM50087041
(CHEMBL3426402)Show SMILES CCCc1ccc(cc1)C(=O)Nc1ccccc1-c1nnn(n1)-c1ccc(OC)cc1 Show InChI InChI=1S/C24H23N5O2/c1-3-6-17-9-11-18(12-10-17)24(30)25-22-8-5-4-7-21(22)23-26-28-29(27-23)19-13-15-20(31-2)16-14-19/h4-5,7-16H,3,6H2,1-2H3,(H,25,30) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
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 GFP-tagged human BCRP expressed in MDCK2 cells pre-incubated for 30 mins followed by Hoechst 33342 addition and further incubated for 1... |
J Med Chem 58: 3910-21 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00188 BindingDB Entry DOI: 10.7270/Q2WD4296 |
More data for this Ligand-Target Pair | |
Broad substrate specificity ATP-binding cassette transporter ABCG2
(Homo sapiens (Human)) | BDBM50086868
(CHEMBL3426384)Show SMILES Cc1ccc(cc1)-n1nnc(n1)-c1ccccc1NC(=O)c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C21H16N6O3/c1-14-6-10-16(11-7-14)26-24-20(23-25-26)18-4-2-3-5-19(18)22-21(28)15-8-12-17(13-9-15)27(29)30/h2-13H,1H3,(H,22,28) | 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 | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description Inhibition of GFP-tagged human BCRP expressed in MDCK2 cells pre-incubated for 30 mins followed by Hoechst 33342 addition and further incubated for 1... |
J Med Chem 58: 3910-21 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00188 BindingDB Entry DOI: 10.7270/Q2WD4296 |
More data for this Ligand-Target Pair | |
Broad substrate specificity ATP-binding cassette transporter ABCG2
(Homo sapiens (Human)) | BDBM50086879
(CHEMBL3426395)Show SMILES COc1ccc(cc1)-n1nnc(n1)-c1ccccc1NC(=O)c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C22H16F3N5O2/c1-32-17-12-10-16(11-13-17)30-28-20(27-29-30)18-4-2-3-5-19(18)26-21(31)14-6-8-15(9-7-14)22(23,24)25/h2-13H,1H3,(H,26,31) | 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 | 106 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description Inhibition of GFP-tagged human BCRP expressed in MDCK2 cells pre-incubated for 30 mins followed by Hoechst 33342 addition and further incubated for 1... |
J Med Chem 58: 3910-21 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00188 BindingDB Entry DOI: 10.7270/Q2WD4296 |
More data for this Ligand-Target Pair | |
Broad substrate specificity ATP-binding cassette transporter ABCG2
(Homo sapiens (Human)) | BDBM50086885
(CHEMBL3426398)Show SMILES COc1ccc(cc1)-n1nnc(n1)-c1ccccc1NC(=O)c1ccc(OC)c(OC)c1 Show InChI InChI=1S/C23H21N5O4/c1-30-17-11-9-16(10-12-17)28-26-22(25-27-28)18-6-4-5-7-19(18)24-23(29)15-8-13-20(31-2)21(14-15)32-3/h4-14H,1-3H3,(H,24,29) | 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 | 117 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description Inhibition of GFP-tagged human BCRP expressed in MDCK2 cells pre-incubated for 30 mins followed by Hoechst 33342 addition and further incubated for 1... |
J Med Chem 58: 3910-21 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00188 BindingDB Entry DOI: 10.7270/Q2WD4296 |
More data for this Ligand-Target Pair | |
Broad substrate specificity ATP-binding cassette transporter ABCG2
(Homo sapiens (Human)) | BDBM50086871
(CHEMBL3426388)Show SMILES COc1ccc(cc1)-n1nnc(n1)-c1ccccc1NC(=O)c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C21H16N6O4/c1-31-17-12-10-15(11-13-17)26-24-20(23-25-26)18-4-2-3-5-19(18)22-21(28)14-6-8-16(9-7-14)27(29)30/h2-13H,1H3,(H,22,28) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 118 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description Inhibition of GFP-tagged human BCRP expressed in MDCK2 cells pre-incubated for 30 mins followed by Hoechst 33342 addition and further incubated for 1... |
J Med Chem 58: 3910-21 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00188 BindingDB Entry DOI: 10.7270/Q2WD4296 |
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 | 128 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description Inhibition of GFP-tagged human BCRP expressed in MDCK2 cells pre-incubated for 30 mins followed by Hoechst 33342 addition and further incubated for 1... |
J Med Chem 58: 3910-21 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00188 BindingDB Entry DOI: 10.7270/Q2WD4296 |
More data for this Ligand-Target Pair | |
Broad substrate specificity ATP-binding cassette transporter ABCG2
(Homo sapiens (Human)) | BDBM50086876
(CHEMBL3426391)Show SMILES Cc1ccc(cc1)-n1nnc(n1)-c1ccccc1NC(=O)c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C22H16F3N5O/c1-14-6-12-17(13-7-14)30-28-20(27-29-30)18-4-2-3-5-19(18)26-21(31)15-8-10-16(11-9-15)22(23,24)25/h2-13H,1H3,(H,26,31) | 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 | 137 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description Inhibition of GFP-tagged human BCRP expressed in MDCK2 cells pre-incubated for 30 mins followed by Hoechst 33342 addition and further incubated for 1... |
J Med Chem 58: 3910-21 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00188 BindingDB Entry DOI: 10.7270/Q2WD4296 |
More data for this Ligand-Target Pair | |
Broad substrate specificity ATP-binding cassette transporter ABCG2
(Homo sapiens (Human)) | BDBM50087023
(CHEMBL3426400)Show SMILES COc1ccc(cc1)C(=O)Nc1ccccc1-c1nnn(n1)-c1ccccc1OC Show InChI InChI=1S/C22H19N5O3/c1-29-16-13-11-15(12-14-16)22(28)23-18-8-4-3-7-17(18)21-24-26-27(25-21)19-9-5-6-10-20(19)30-2/h3-14H,1-2H3,(H,23,28) | 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 | 180 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description Inhibition of GFP-tagged human BCRP expressed in MDCK2 cells pre-incubated for 30 mins followed by Hoechst 33342 addition and further incubated for 1... |
J Med Chem 58: 3910-21 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00188 BindingDB Entry DOI: 10.7270/Q2WD4296 |
More data for this Ligand-Target Pair | |
Broad substrate specificity ATP-binding cassette transporter ABCG2
(Homo sapiens (Human)) | BDBM50086867
(CHEMBL3426382)Show SMILES CCCc1ccc(cc1)-n1nnc(n1)-c1ccccc1NC(=O)c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C23H20N6O3/c1-2-5-16-8-12-18(13-9-16)28-26-22(25-27-28)20-6-3-4-7-21(20)24-23(30)17-10-14-19(15-11-17)29(31)32/h3-4,6-15H,2,5H2,1H3,(H,24,30) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 184 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description Inhibition of GFP-tagged human BCRP expressed in MDCK2 cells pre-incubated for 30 mins followed by Hoechst 33342 addition and further incubated for 1... |
J Med Chem 58: 3910-21 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00188 BindingDB Entry DOI: 10.7270/Q2WD4296 |
More data for this Ligand-Target Pair | |
Broad substrate specificity ATP-binding cassette transporter ABCG2
(Homo sapiens (Human)) | BDBM50086882
(CHEMBL3426397)Show SMILES CCOc1ccc(cc1)-n1nnc(n1)-c1ccccc1NC(=O)c1ccc(OC)c(OC)c1 Show InChI InChI=1S/C24H23N5O4/c1-4-33-18-12-10-17(11-13-18)29-27-23(26-28-29)19-7-5-6-8-20(19)25-24(30)16-9-14-21(31-2)22(15-16)32-3/h5-15H,4H2,1-3H3,(H,25,30) | 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 | 201 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description Inhibition of GFP-tagged human BCRP expressed in MDCK2 cells pre-incubated for 30 mins followed by Hoechst 33342 addition and further incubated for 1... |
J Med Chem 58: 3910-21 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00188 BindingDB Entry DOI: 10.7270/Q2WD4296 |
More data for this Ligand-Target Pair | |
Broad substrate specificity ATP-binding cassette transporter ABCG2
(Homo sapiens (Human)) | BDBM50086869
(CHEMBL3426386)Show SMILES COc1ccccc1-n1nnc(n1)-c1ccccc1NC(=O)c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C21H16N6O4/c1-31-19-9-5-4-8-18(19)26-24-20(23-25-26)16-6-2-3-7-17(16)22-21(28)14-10-12-15(13-11-14)27(29)30/h2-13H,1H3,(H,22,28) | 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 | 261 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description Inhibition of GFP-tagged human BCRP expressed in MDCK2 cells pre-incubated for 30 mins followed by Hoechst 33342 addition and further incubated for 1... |
J Med Chem 58: 3910-21 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00188 BindingDB Entry DOI: 10.7270/Q2WD4296 |
More data for this Ligand-Target Pair | |
Broad substrate specificity ATP-binding cassette transporter ABCG2
(Homo sapiens (Human)) | BDBM50086881
(CHEMBL3426396)Show SMILES COc1ccc(cc1OC)C(=O)Nc1ccccc1-c1nnn(n1)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C23H18F3N5O3/c1-33-19-12-7-14(13-20(19)34-2)22(32)27-18-6-4-3-5-17(18)21-28-30-31(29-21)16-10-8-15(9-11-16)23(24,25)26/h3-13H,1-2H3,(H,27,32) | 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 | 269 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description Inhibition of GFP-tagged human BCRP expressed in MDCK2 cells pre-incubated for 30 mins followed by Hoechst 33342 addition and further incubated for 1... |
J Med Chem 58: 3910-21 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00188 BindingDB Entry DOI: 10.7270/Q2WD4296 |
More data for this Ligand-Target Pair | |
Broad substrate specificity ATP-binding cassette transporter ABCG2
(Homo sapiens (Human)) | BDBM50086877
(CHEMBL3426393)Show SMILES COc1ccccc1-n1nnc(n1)-c1ccccc1NC(=O)c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C22H16F3N5O2/c1-32-19-9-5-4-8-18(19)30-28-20(27-29-30)16-6-2-3-7-17(16)26-21(31)14-10-12-15(13-11-14)22(23,24)25/h2-13H,1H3,(H,26,31) | 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 | 451 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description Inhibition of GFP-tagged human BCRP expressed in MDCK2 cells pre-incubated for 30 mins followed by Hoechst 33342 addition and further incubated for 1... |
J Med Chem 58: 3910-21 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00188 BindingDB Entry DOI: 10.7270/Q2WD4296 |
More data for this Ligand-Target Pair | |
Broad substrate specificity ATP-binding cassette transporter ABCG2
(Homo sapiens (Human)) | BDBM50375813
(CHEMBL428402 | XR-9577)Show SMILES O=C(Nc1ccccc1C(=O)Nc1ccc(CCN2CCc3ccccc3C2)cc1)c1cnc2ccccc2c1 Show InChI InChI=1S/C34H30N4O2/c39-33(28-21-26-8-3-5-11-31(26)35-22-28)37-32-12-6-4-10-30(32)34(40)36-29-15-13-24(14-16-29)17-19-38-20-18-25-7-1-2-9-27(25)23-38/h1-16,21-22H,17-20,23H2,(H,36,40)(H,37,39) | 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 | 721 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description Inhibition of GFP-tagged human BCRP expressed in MDCK2 cells pre-incubated for 30 mins followed by Hoechst 33342 addition and further incubated for 1... |
J Med Chem 58: 3910-21 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00188 BindingDB Entry DOI: 10.7270/Q2WD4296 |
More data for this Ligand-Target Pair | |
ATP-dependent translocase ABCB1
(Homo sapiens (Human)) | BDBM50022815
((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...)Show SMILES CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C |r| Show InChI InChI=1S/C62H111N11O12/c1-25-27-28-40(15)52(75)51-56(79)65-43(26-2)58(81)67(18)33-48(74)68(19)44(29-34(3)4)55(78)66-49(38(11)12)61(84)69(20)45(30-35(5)6)54(77)63-41(16)53(76)64-42(17)57(80)70(21)46(31-36(7)8)59(82)71(22)47(32-37(9)10)60(83)72(23)50(39(13)14)62(85)73(51)24/h25,27,34-47,49-52,75H,26,28-33H2,1-24H3,(H,63,77)(H,64,76)(H,65,79)(H,66,78)/b27-25+/t40-,41+,42-,43+,44+,45+,46+,47+,49+,50+,51+,52-/m1/s1 | PDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
MCE KEGG MMDB PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 919 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description Inhibition of ABCB1 in human A2780adr cells pre-incubated for 30 mins followed by calcein AM addition and further incubated for 60 mins by calcein AM... |
J Med Chem 58: 3910-21 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00188 BindingDB Entry DOI: 10.7270/Q2WD4296 |
More data for this Ligand-Target Pair | |
ATP-dependent translocase ABCB1
(Homo sapiens (Human)) | BDBM50087023
(CHEMBL3426400)Show SMILES COc1ccc(cc1)C(=O)Nc1ccccc1-c1nnn(n1)-c1ccccc1OC Show InChI InChI=1S/C22H19N5O3/c1-29-16-13-11-15(12-14-16)22(28)23-18-8-4-3-7-17(18)21-24-26-27(25-21)19-9-5-6-10-20(19)30-2/h3-14H,1-2H3,(H,23,28) | PDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 7.73E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description Inhibition of ABCB1 in human A2780adr cells pre-incubated for 30 mins followed by calcein AM addition and further incubated for 60 mins by calcein AM... |
J Med Chem 58: 3910-21 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00188 BindingDB Entry DOI: 10.7270/Q2WD4296 |
More data for this Ligand-Target Pair | |
ATP-dependent translocase ABCB1
(Homo sapiens (Human)) | BDBM50086877
(CHEMBL3426393)Show SMILES COc1ccccc1-n1nnc(n1)-c1ccccc1NC(=O)c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C22H16F3N5O2/c1-32-19-9-5-4-8-18(19)30-28-20(27-29-30)16-6-2-3-7-17(16)26-21(31)14-10-12-15(13-11-14)22(23,24)25/h2-13H,1H3,(H,26,31) | PDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description Inhibition of ABCB1 in human A2780adr cells pre-incubated for 30 mins followed by calcein AM addition and further incubated for 60 mins by calcein AM... |
J Med Chem 58: 3910-21 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00188 BindingDB Entry DOI: 10.7270/Q2WD4296 |
More data for this Ligand-Target Pair | |
Broad substrate specificity ATP-binding cassette transporter ABCG2
(Homo sapiens (Human)) | BDBM50086878
(CHEMBL3426394)Show SMILES COc1cccc(c1)-n1nnc(n1)-c1ccccc1NC(=O)c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C22H16F3N5O2/c1-32-17-6-4-5-16(13-17)30-28-20(27-29-30)18-7-2-3-8-19(18)26-21(31)14-9-11-15(12-10-14)22(23,24)25/h2-13H,1H3,(H,26,31) | 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 | 1.12E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description Inhibition of GFP-tagged human BCRP expressed in MDCK2 cells pre-incubated for 30 mins followed by Hoechst 33342 addition and further incubated for 1... |
J Med Chem 58: 3910-21 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00188 BindingDB Entry DOI: 10.7270/Q2WD4296 |
More data for this Ligand-Target Pair | |
ATP-dependent translocase ABCB1
(Homo sapiens (Human)) | BDBM50086882
(CHEMBL3426397)Show SMILES CCOc1ccc(cc1)-n1nnc(n1)-c1ccccc1NC(=O)c1ccc(OC)c(OC)c1 Show InChI InChI=1S/C24H23N5O4/c1-4-33-18-12-10-17(11-13-18)29-27-23(26-28-29)19-7-5-6-8-20(19)25-24(30)16-9-14-21(31-2)22(15-16)32-3/h5-15H,4H2,1-3H3,(H,25,30) | PDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.28E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description Inhibition of ABCB1 in human A2780adr cells pre-incubated for 30 mins followed by calcein AM addition and further incubated for 60 mins by calcein AM... |
J Med Chem 58: 3910-21 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00188 BindingDB Entry DOI: 10.7270/Q2WD4296 |
More data for this Ligand-Target Pair | |
ATP-dependent translocase ABCB1
(Homo sapiens (Human)) | BDBM50086885
(CHEMBL3426398)Show SMILES COc1ccc(cc1)-n1nnc(n1)-c1ccccc1NC(=O)c1ccc(OC)c(OC)c1 Show InChI InChI=1S/C23H21N5O4/c1-30-17-11-9-16(10-12-17)28-26-22(25-27-28)18-6-4-5-7-19(18)24-23(29)15-8-13-20(31-2)21(14-15)32-3/h4-14H,1-3H3,(H,24,29) | PDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.72E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description Inhibition of ABCB1 in human A2780adr cells pre-incubated for 30 mins followed by calcein AM addition and further incubated for 60 mins by calcein AM... |
J Med Chem 58: 3910-21 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00188 BindingDB Entry DOI: 10.7270/Q2WD4296 |
More data for this Ligand-Target Pair | |