Found 40 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)) | BDBM50174334
(CHEMBL3809529)Show SMILES COc1ccc(\C=C\C(=O)c2ccc(Nc3nc(nc4ccccc34)-c3ccc(OC)c(OC)c3)cc2)cc1OC Show InChI InChI=1S/C33H29N3O5/c1-38-28-17-10-21(19-30(28)40-3)9-16-27(37)22-11-14-24(15-12-22)34-33-25-7-5-6-8-26(25)35-32(36-33)23-13-18-29(39-2)31(20-23)41-4/h5-20H,1-4H3,(H,34,35,36)/b16-9+ | 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 | 190 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description Inhibition of human C-terminal GFP-tagged ABCG2 expressed in MDCK2 cells using pheophorbide A as substrate preincubated for 20 mins followed by subst... |
Eur J Med Chem 117: 212-29 (2016)
Article DOI: 10.1016/j.ejmech.2016.03.067 BindingDB Entry DOI: 10.7270/Q23J3FW7 |
More data for this Ligand-Target Pair | |
Broad substrate specificity ATP-binding cassette transporter ABCG2
(Homo sapiens (Human)) | BDBM50174325
(CHEMBL3809810)Show SMILES COc1ccc(\C=C\C(=O)c2cccc(Nc3nc(nc4ccccc34)-c3ccc(OC)c(OC)c3)c2)cc1 Show InChI InChI=1S/C32H27N3O4/c1-37-25-15-11-21(12-16-25)13-17-28(36)22-7-6-8-24(19-22)33-32-26-9-4-5-10-27(26)34-31(35-32)23-14-18-29(38-2)30(20-23)39-3/h4-20H,1-3H3,(H,33,34,35)/b17-13+ | 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 | 210 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description Inhibition of human C-terminal GFP-tagged ABCG2 expressed in MDCK2 cells using pheophorbide A as substrate preincubated for 20 mins followed by subst... |
Eur J Med Chem 117: 212-29 (2016)
Article DOI: 10.1016/j.ejmech.2016.03.067 BindingDB Entry DOI: 10.7270/Q23J3FW7 |
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 | 240 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description Inhibition of human C-terminal GFP-tagged ABCG2 expressed in MDCK2 cells using pheophorbide A as substrate preincubated for 20 mins followed by subst... |
Eur J Med Chem 117: 212-29 (2016)
Article DOI: 10.1016/j.ejmech.2016.03.067 BindingDB Entry DOI: 10.7270/Q23J3FW7 |
More data for this Ligand-Target Pair | |
Broad substrate specificity ATP-binding cassette transporter ABCG2
(Homo sapiens (Human)) | BDBM50174338
(CHEMBL3808612)Show SMILES COc1ccc(\C=C\C(=O)c2ccc(Nc3nc(nc4ccccc34)-c3ccccc3)cc2)cc1OC Show InChI InChI=1S/C31H25N3O3/c1-36-28-19-13-21(20-29(28)37-2)12-18-27(35)22-14-16-24(17-15-22)32-31-25-10-6-7-11-26(25)33-30(34-31)23-8-4-3-5-9-23/h3-20H,1-2H3,(H,32,33,34)/b18-12+ | 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 | 290 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description Inhibition of human C-terminal GFP-tagged ABCG2 expressed in MDCK2 cells using pheophorbide A as substrate preincubated for 20 mins followed by subst... |
Eur J Med Chem 117: 212-29 (2016)
Article DOI: 10.1016/j.ejmech.2016.03.067 BindingDB Entry DOI: 10.7270/Q23J3FW7 |
More data for this Ligand-Target Pair | |
Broad substrate specificity ATP-binding cassette transporter ABCG2
(Homo sapiens (Human)) | BDBM50174324
(CHEMBL3810065)Show SMILES COc1cccc(\C=C\C(=O)c2cccc(Nc3nc(nc4ccccc34)-c3ccc(OC)c(OC)c3)c2)c1 Show InChI InChI=1S/C32H27N3O4/c1-37-25-11-6-8-21(18-25)14-16-28(36)22-9-7-10-24(19-22)33-32-26-12-4-5-13-27(26)34-31(35-32)23-15-17-29(38-2)30(20-23)39-3/h4-20H,1-3H3,(H,33,34,35)/b16-14+ | 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 | 310 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description Inhibition of human C-terminal GFP-tagged ABCG2 expressed in MDCK2 cells using pheophorbide A as substrate preincubated for 20 mins followed by subst... |
Eur J Med Chem 117: 212-29 (2016)
Article DOI: 10.1016/j.ejmech.2016.03.067 BindingDB Entry DOI: 10.7270/Q23J3FW7 |
More data for this Ligand-Target Pair | |
Broad substrate specificity ATP-binding cassette transporter ABCG2
(Homo sapiens (Human)) | BDBM50174330
(CHEMBL3810327)Show SMILES COc1ccc(\C=C\C(=O)c2cccc(Nc3ncnc4cc(OC)c(OC)cc34)c2)cc1 Show InChI InChI=1S/C26H23N3O4/c1-31-20-10-7-17(8-11-20)9-12-23(30)18-5-4-6-19(13-18)29-26-21-14-24(32-2)25(33-3)15-22(21)27-16-28-26/h4-16H,1-3H3,(H,27,28,29)/b12-9+ | 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 | 320 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description Inhibition of human C-terminal GFP-tagged ABCG2 expressed in MDCK2 cells using pheophorbide A as substrate preincubated for 20 mins followed by subst... |
Eur J Med Chem 117: 212-29 (2016)
Article DOI: 10.1016/j.ejmech.2016.03.067 BindingDB Entry DOI: 10.7270/Q23J3FW7 |
More data for this Ligand-Target Pair | |
Broad substrate specificity ATP-binding cassette transporter ABCG2
(Homo sapiens (Human)) | BDBM50174335
(CHEMBL3809957)Show SMILES COc1cccc(\C=C\C(=O)c2ccc(Nc3nc(nc4ccccc34)-c3ccc(OC)c(OC)c3)cc2)c1 Show InChI InChI=1S/C32H27N3O4/c1-37-25-8-6-7-21(19-25)11-17-28(36)22-12-15-24(16-13-22)33-32-26-9-4-5-10-27(26)34-31(35-32)23-14-18-29(38-2)30(20-23)39-3/h4-20H,1-3H3,(H,33,34,35)/b17-11+ | 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 | 360 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description Inhibition of human C-terminal GFP-tagged ABCG2 expressed in MDCK2 cells using pheophorbide A as substrate preincubated for 20 mins followed by subst... |
Eur J Med Chem 117: 212-29 (2016)
Article DOI: 10.1016/j.ejmech.2016.03.067 BindingDB Entry DOI: 10.7270/Q23J3FW7 |
More data for this Ligand-Target Pair | |
Broad substrate specificity ATP-binding cassette transporter ABCG2
(Homo sapiens (Human)) | BDBM50174320
(CHEMBL3809541)Show SMILES COc1cccc(\C=C\C(=O)c2ccc(Nc3ncnc4cc(OC)c(OC)cc34)cc2)c1 Show InChI InChI=1S/C26H23N3O4/c1-31-20-6-4-5-17(13-20)7-12-23(30)18-8-10-19(11-9-18)29-26-21-14-24(32-2)25(33-3)15-22(21)27-16-28-26/h4-16H,1-3H3,(H,27,28,29)/b12-7+ | 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 | 390 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description Inhibition of human C-terminal GFP-tagged ABCG2 expressed in MDCK2 cells using pheophorbide A as substrate preincubated for 20 mins followed by subst... |
Eur J Med Chem 117: 212-29 (2016)
Article DOI: 10.1016/j.ejmech.2016.03.067 BindingDB Entry DOI: 10.7270/Q23J3FW7 |
More data for this Ligand-Target Pair | |
ATP-dependent translocase ABCB1
(Homo sapiens (Human)) | BDBM50174333
(CHEMBL3809417)Show SMILES COc1ccc(\C=C\C(=O)c2cccc(Nc3ncnc4ccccc34)c2)cc1OC Show InChI InChI=1S/C25H21N3O3/c1-30-23-13-11-17(14-24(23)31-2)10-12-22(29)18-6-5-7-19(15-18)28-25-20-8-3-4-9-21(20)26-16-27-25/h3-16H,1-2H3,(H,26,27,28)/b12-10+ | PDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 420 | 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 A2780/ADR cells incubated for 30 mins measured up to 3600 secs with time intervals of 60 secs by calcein accumulation as... |
Eur J Med Chem 117: 212-29 (2016)
Article DOI: 10.1016/j.ejmech.2016.03.067 BindingDB Entry DOI: 10.7270/Q23J3FW7 |
More data for this Ligand-Target Pair | |
Broad substrate specificity ATP-binding cassette transporter ABCG2
(Homo sapiens (Human)) | BDBM50174329
(CHEMBL3810368)Show SMILES COc1ccc(\C=C\C(=O)c2cccc(Nc3nc(nc4ccccc34)-c3ccccc3)c2)cc1OC Show InChI InChI=1S/C31H25N3O3/c1-36-28-18-16-21(19-29(28)37-2)15-17-27(35)23-11-8-12-24(20-23)32-31-25-13-6-7-14-26(25)33-30(34-31)22-9-4-3-5-10-22/h3-20H,1-2H3,(H,32,33,34)/b17-15+ | 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 | 460 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description Inhibition of human C-terminal GFP-tagged ABCG2 expressed in MDCK2 cells using pheophorbide A as substrate preincubated for 20 mins followed by subst... |
Eur J Med Chem 117: 212-29 (2016)
Article DOI: 10.1016/j.ejmech.2016.03.067 BindingDB Entry DOI: 10.7270/Q23J3FW7 |
More data for this Ligand-Target Pair | |
ATP-dependent translocase ABCB1
(Homo sapiens (Human)) | BDBM50174326
(CHEMBL3809802)Show SMILES COc1ccc(\C=C\C(=O)c2cccc(Nc3nc(nc4ccccc34)-c3ccc(OC)c(OC)c3)c2)cc1OC Show InChI InChI=1S/C33H29N3O5/c1-38-28-16-13-21(18-30(28)40-3)12-15-27(37)22-8-7-9-24(19-22)34-33-25-10-5-6-11-26(25)35-32(36-33)23-14-17-29(39-2)31(20-23)41-4/h5-20H,1-4H3,(H,34,35,36)/b15-12+ | PDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 480 | 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 A2780/ADR cells incubated for 30 mins measured up to 3600 secs with time intervals of 60 secs by calcein accumulation as... |
Eur J Med Chem 117: 212-29 (2016)
Article DOI: 10.1016/j.ejmech.2016.03.067 BindingDB Entry DOI: 10.7270/Q23J3FW7 |
More data for this Ligand-Target Pair | |
Broad substrate specificity ATP-binding cassette transporter ABCG2
(Homo sapiens (Human)) | BDBM50174326
(CHEMBL3809802)Show SMILES COc1ccc(\C=C\C(=O)c2cccc(Nc3nc(nc4ccccc34)-c3ccc(OC)c(OC)c3)c2)cc1OC Show InChI InChI=1S/C33H29N3O5/c1-38-28-16-13-21(18-30(28)40-3)12-15-27(37)22-8-7-9-24(19-22)34-33-25-10-5-6-11-26(25)35-32(36-33)23-14-17-29(39-2)31(20-23)41-4/h5-20H,1-4H3,(H,34,35,36)/b15-12+ | 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 | 600 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description Inhibition of human C-terminal GFP-tagged ABCG2 expressed in MDCK2 cells using pheophorbide A as substrate preincubated for 20 mins followed by subst... |
Eur J Med Chem 117: 212-29 (2016)
Article DOI: 10.1016/j.ejmech.2016.03.067 BindingDB Entry DOI: 10.7270/Q23J3FW7 |
More data for this Ligand-Target Pair | |
Broad substrate specificity ATP-binding cassette transporter ABCG2
(Homo sapiens (Human)) | BDBM50174322
(CHEMBL3809533)Show SMILES COc1cccc(\C=C\C(=O)c2ccc(Nc3ncnc4ccccc34)cc2)c1 Show InChI InChI=1S/C24H19N3O2/c1-29-20-6-4-5-17(15-20)9-14-23(28)18-10-12-19(13-11-18)27-24-21-7-2-3-8-22(21)25-16-26-24/h2-16H,1H3,(H,25,26,27)/b14-9+ | 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 | 680 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description Inhibition of human C-terminal GFP-tagged ABCG2 expressed in MDCK2 cells using pheophorbide A as substrate preincubated for 20 mins followed by subst... |
Eur J Med Chem 117: 212-29 (2016)
Article DOI: 10.1016/j.ejmech.2016.03.067 BindingDB Entry DOI: 10.7270/Q23J3FW7 |
More data for this Ligand-Target Pair | |
Broad substrate specificity ATP-binding cassette transporter ABCG2
(Homo sapiens (Human)) | BDBM50174327
(CHEMBL3808602)Show SMILES COc1cccc(\C=C\C(=O)c2cccc(Nc3nc(nc4ccccc34)-c3ccccc3)c2)c1 Show InChI InChI=1S/C30H23N3O2/c1-35-25-14-7-9-21(19-25)17-18-28(34)23-12-8-13-24(20-23)31-30-26-15-5-6-16-27(26)32-29(33-30)22-10-3-2-4-11-22/h2-20H,1H3,(H,31,32,33)/b18-17+ | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
| 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 human C-terminal GFP-tagged ABCG2 expressed in MDCK2 cells using pheophorbide A as substrate preincubated for 20 mins followed by subst... |
Eur J Med Chem 117: 212-29 (2016)
Article DOI: 10.1016/j.ejmech.2016.03.067 BindingDB Entry DOI: 10.7270/Q23J3FW7 |
More data for this Ligand-Target Pair | |
ATP-dependent translocase ABCB1
(Homo sapiens (Human)) | BDBM50174336
(CHEMBL3808745)Show SMILES [H][C@]12C[C@@H](OC(=O)CCCCCCCCC(=O)O[C@@H]3C[C@]4([H])Oc5c6c(CCN(C)C[C@@]46C=C3)ccc5OC)C=C[C@]11CN(C)CCc3ccc(OC)c(O2)c13 |r,c:34,43| Show InChI InChI=1S/C44H56N2O8/c1-45-23-19-29-13-15-33(49-3)41-39(29)43(27-45)21-17-31(25-35(43)53-41)51-37(47)11-9-7-5-6-8-10-12-38(48)52-32-18-22-44-28-46(2)24-20-30-14-16-34(50-4)42(40(30)44)54-36(44)26-32/h13-18,21-22,31-32,35-36H,5-12,19-20,23-28H2,1-4H3/t31-,32-,35-,36-,43-,44-/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 800 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description Inhibition of ABCB1 mediated efflux in human MCF7/DX1 cells assessed as intracellular rhodamine-123 accumulation after 30 to 40 mins by flow cytometr... |
Eur J Med Chem 117: 212-29 (2016)
Article DOI: 10.1016/j.ejmech.2016.03.067 BindingDB Entry DOI: 10.7270/Q23J3FW7 |
More data for this Ligand-Target Pair | |
Broad substrate specificity ATP-binding cassette transporter ABCG2
(Homo sapiens (Human)) | BDBM50174323
(CHEMBL3809167)Show SMILES COc1ccc(\C=C\C(=O)c2ccc(Nc3ncnc4ccccc34)cc2)cc1OC Show InChI InChI=1S/C25H21N3O3/c1-30-23-14-8-17(15-24(23)31-2)7-13-22(29)18-9-11-19(12-10-18)28-25-20-5-3-4-6-21(20)26-16-27-25/h3-16H,1-2H3,(H,26,27,28)/b13-7+ | 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 | 840 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description Inhibition of human C-terminal GFP-tagged ABCG2 expressed in MDCK2 cells using pheophorbide A as substrate preincubated for 20 mins followed by subst... |
Eur J Med Chem 117: 212-29 (2016)
Article DOI: 10.1016/j.ejmech.2016.03.067 BindingDB Entry DOI: 10.7270/Q23J3FW7 |
More data for this Ligand-Target Pair | |
ATP-dependent translocase ABCB1
(Homo sapiens (Human)) | BDBM50174331
(CHEMBL3809832)Show SMILES COc1ccc(\C=C\C(=O)c2cccc(Nc3ncnc4cc(OC)c(OC)cc34)c2)cc1OC Show InChI InChI=1S/C27H25N3O5/c1-32-23-11-9-17(12-24(23)33-2)8-10-22(31)18-6-5-7-19(13-18)30-27-20-14-25(34-3)26(35-4)15-21(20)28-16-29-27/h5-16H,1-4H3,(H,28,29,30)/b10-8+ | PDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 860 | 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 A2780/ADR cells incubated for 30 mins measured up to 3600 secs with time intervals of 60 secs by calcein accumulation as... |
Eur J Med Chem 117: 212-29 (2016)
Article DOI: 10.1016/j.ejmech.2016.03.067 BindingDB Entry DOI: 10.7270/Q23J3FW7 |
More data for this Ligand-Target Pair | |
Broad substrate specificity ATP-binding cassette transporter ABCG2
(Homo sapiens (Human)) | BDBM50174337
(CHEMBL3809206)Show SMILES COc1cccc(\C=C\C(=O)c2ccc(Nc3nc(nc4ccccc34)-c3ccccc3)cc2)c1 Show InChI InChI=1S/C30H23N3O2/c1-35-25-11-7-8-21(20-25)14-19-28(34)22-15-17-24(18-16-22)31-30-26-12-5-6-13-27(26)32-29(33-30)23-9-3-2-4-10-23/h2-20H,1H3,(H,31,32,33)/b19-14+ | 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 | 880 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description Inhibition of human C-terminal GFP-tagged ABCG2 expressed in MDCK2 cells using pheophorbide A as substrate preincubated for 20 mins followed by subst... |
Eur J Med Chem 117: 212-29 (2016)
Article DOI: 10.1016/j.ejmech.2016.03.067 BindingDB Entry DOI: 10.7270/Q23J3FW7 |
More data for this Ligand-Target Pair | |
Broad substrate specificity ATP-binding cassette transporter ABCG2
(Homo sapiens (Human)) | BDBM50174332
(CHEMBL3810064)Show SMILES COc1ccc(\C=C\C(=O)c2cccc(Nc3ncnc4ccccc34)c2)cc1 Show InChI InChI=1S/C24H19N3O2/c1-29-20-12-9-17(10-13-20)11-14-23(28)18-5-4-6-19(15-18)27-24-21-7-2-3-8-22(21)25-16-26-24/h2-16H,1H3,(H,25,26,27)/b14-11+ | 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 | 890 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description Inhibition of human C-terminal GFP-tagged ABCG2 expressed in MDCK2 cells using pheophorbide A as substrate preincubated for 20 mins followed by subst... |
Eur J Med Chem 117: 212-29 (2016)
Article DOI: 10.1016/j.ejmech.2016.03.067 BindingDB Entry DOI: 10.7270/Q23J3FW7 |
More data for this Ligand-Target Pair | |
Broad substrate specificity ATP-binding cassette transporter ABCG2
(Homo sapiens (Human)) | BDBM50174341
(CHEMBL3808799)Show SMILES O=C(\C=C\c1ccccc1)c1ccc(Nc2nc(nc3ccccc23)-c2ccccc2)cc1 Show InChI InChI=1S/C29H21N3O/c33-27(20-15-21-9-3-1-4-10-21)22-16-18-24(19-17-22)30-29-25-13-7-8-14-26(25)31-28(32-29)23-11-5-2-6-12-23/h1-20H,(H,30,31,32)/b20-15+ | 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 | 920 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description Inhibition of human C-terminal GFP-tagged ABCG2 expressed in MDCK2 cells using pheophorbide A as substrate preincubated for 20 mins followed by subst... |
Eur J Med Chem 117: 212-29 (2016)
Article DOI: 10.1016/j.ejmech.2016.03.067 BindingDB Entry DOI: 10.7270/Q23J3FW7 |
More data for this Ligand-Target Pair | |
Broad substrate specificity ATP-binding cassette transporter ABCG2
(Homo sapiens (Human)) | BDBM50174328
(CHEMBL3808429)Show SMILES COc1ccc(\C=C\C(=O)c2cccc(Nc3nc(nc4ccccc34)-c3ccccc3)c2)cc1 Show InChI InChI=1S/C30H23N3O2/c1-35-25-17-14-21(15-18-25)16-19-28(34)23-10-7-11-24(20-23)31-30-26-12-5-6-13-27(26)32-29(33-30)22-8-3-2-4-9-22/h2-20H,1H3,(H,31,32,33)/b19-16+ | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 970 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description Inhibition of human C-terminal GFP-tagged ABCG2 expressed in MDCK2 cells using pheophorbide A as substrate preincubated for 20 mins followed by subst... |
Eur J Med Chem 117: 212-29 (2016)
Article DOI: 10.1016/j.ejmech.2016.03.067 BindingDB Entry DOI: 10.7270/Q23J3FW7 |
More data for this Ligand-Target Pair | |
Broad substrate specificity ATP-binding cassette transporter ABCG2
(Homo sapiens (Human)) | BDBM50174339
(CHEMBL3810089)Show SMILES COc1ccc(cc1OC)-c1nc(Nc2ccc(cc2)C(=O)\C=C\c2ccccc2)c2ccccc2n1 Show InChI InChI=1S/C31H25N3O3/c1-36-28-19-15-23(20-29(28)37-2)30-33-26-11-7-6-10-25(26)31(34-30)32-24-16-13-22(14-17-24)27(35)18-12-21-8-4-3-5-9-21/h3-20H,1-2H3,(H,32,33,34)/b18-12+ | 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 | 1.09E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description Inhibition of human C-terminal GFP-tagged ABCG2 expressed in MDCK2 cells using pheophorbide A as substrate preincubated for 20 mins followed by subst... |
Eur J Med Chem 117: 212-29 (2016)
Article DOI: 10.1016/j.ejmech.2016.03.067 BindingDB Entry DOI: 10.7270/Q23J3FW7 |
More data for this Ligand-Target Pair | |
Broad substrate specificity ATP-binding cassette transporter ABCG2
(Homo sapiens (Human)) | BDBM50174321
(CHEMBL3809015)Show SMILES COc1ccc(\C=C\C(=O)c2ccc(Nc3ncnc4cc(OC)c(OC)cc34)cc2)cc1OC Show InChI InChI=1S/C27H25N3O5/c1-32-23-12-6-17(13-24(23)33-2)5-11-22(31)18-7-9-19(10-8-18)30-27-20-14-25(34-3)26(35-4)15-21(20)28-16-29-27/h5-16H,1-4H3,(H,28,29,30)/b11-5+ | 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 | 1.23E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description Inhibition of human C-terminal GFP-tagged ABCG2 expressed in MDCK2 cells using pheophorbide A as substrate preincubated for 20 mins followed by subst... |
Eur J Med Chem 117: 212-29 (2016)
Article DOI: 10.1016/j.ejmech.2016.03.067 BindingDB Entry DOI: 10.7270/Q23J3FW7 |
More data for this Ligand-Target Pair | |
ATP-dependent translocase ABCB1
(Homo sapiens (Human)) | BDBM50174325
(CHEMBL3809810)Show SMILES COc1ccc(\C=C\C(=O)c2cccc(Nc3nc(nc4ccccc34)-c3ccc(OC)c(OC)c3)c2)cc1 Show InChI InChI=1S/C32H27N3O4/c1-37-25-15-11-21(12-16-25)13-17-28(36)22-7-6-8-24(19-22)33-32-26-9-4-5-10-27(26)34-31(35-32)23-14-18-29(38-2)30(20-23)39-3/h4-20H,1-3H3,(H,33,34,35)/b17-13+ | PDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1.29E+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 A2780/ADR cells incubated for 30 mins measured up to 3600 secs with time intervals of 60 secs by calcein accumulation as... |
Eur J Med Chem 117: 212-29 (2016)
Article DOI: 10.1016/j.ejmech.2016.03.067 BindingDB Entry DOI: 10.7270/Q23J3FW7 |
More data for this Ligand-Target Pair | |
Broad substrate specificity ATP-binding cassette transporter ABCG2
(Homo sapiens (Human)) | BDBM50174333
(CHEMBL3809417)Show SMILES COc1ccc(\C=C\C(=O)c2cccc(Nc3ncnc4ccccc34)c2)cc1OC Show InChI InChI=1S/C25H21N3O3/c1-30-23-13-11-17(14-24(23)31-2)10-12-22(29)18-6-5-7-19(15-18)28-25-20-8-3-4-9-21(20)26-16-27-25/h3-16H,1-2H3,(H,26,27,28)/b12-10+ | 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 | 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description Inhibition of human C-terminal GFP-tagged ABCG2 expressed in MDCK2 cells using pheophorbide A as substrate preincubated for 20 mins followed by subst... |
Eur J Med Chem 117: 212-29 (2016)
Article DOI: 10.1016/j.ejmech.2016.03.067 BindingDB Entry DOI: 10.7270/Q23J3FW7 |
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 | 1.41E+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 A2780/ADR cells incubated for 30 mins measured up to 3600 secs with time intervals of 60 secs by calcein accumulation as... |
Eur J Med Chem 117: 212-29 (2016)
Article DOI: 10.1016/j.ejmech.2016.03.067 BindingDB Entry DOI: 10.7270/Q23J3FW7 |
More data for this Ligand-Target Pair | |
Broad substrate specificity ATP-binding cassette transporter ABCG2
(Homo sapiens (Human)) | BDBM50174331
(CHEMBL3809832)Show SMILES COc1ccc(\C=C\C(=O)c2cccc(Nc3ncnc4cc(OC)c(OC)cc34)c2)cc1OC Show InChI InChI=1S/C27H25N3O5/c1-32-23-11-9-17(12-24(23)33-2)8-10-22(31)18-6-5-7-19(13-18)30-27-20-14-25(34-3)26(35-4)15-21(20)28-16-29-27/h5-16H,1-4H3,(H,28,29,30)/b10-8+ | 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 | 1.71E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description Inhibition of human C-terminal GFP-tagged ABCG2 expressed in MDCK2 cells using pheophorbide A as substrate preincubated for 20 mins followed by subst... |
Eur J Med Chem 117: 212-29 (2016)
Article DOI: 10.1016/j.ejmech.2016.03.067 BindingDB Entry DOI: 10.7270/Q23J3FW7 |
More data for this Ligand-Target Pair | |
ATP-dependent translocase ABCB1
(Homo sapiens (Human)) | BDBM50174323
(CHEMBL3809167)Show SMILES COc1ccc(\C=C\C(=O)c2ccc(Nc3ncnc4ccccc34)cc2)cc1OC Show InChI InChI=1S/C25H21N3O3/c1-30-23-14-8-17(15-24(23)31-2)7-13-22(29)18-9-11-19(12-10-18)28-25-20-5-3-4-6-21(20)26-16-27-25/h3-16H,1-2H3,(H,26,27,28)/b13-7+ | PDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 2.34E+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 A2780/ADR cells incubated for 30 mins measured up to 3600 secs with time intervals of 60 secs by calcein accumulation as... |
Eur J Med Chem 117: 212-29 (2016)
Article DOI: 10.1016/j.ejmech.2016.03.067 BindingDB Entry DOI: 10.7270/Q23J3FW7 |
More data for this Ligand-Target Pair | |
Broad substrate specificity ATP-binding cassette transporter ABCG2
(Homo sapiens (Human)) | BDBM50174340
(CHEMBL3808585)Show SMILES COc1ccc(\C=C\C(=O)c2ccc(Nc3nc(nc4ccccc34)-c3ccc(OC)c(OC)c3)cc2)cc1 Show InChI InChI=1S/C32H27N3O4/c1-37-25-16-8-21(9-17-25)10-18-28(36)22-11-14-24(15-12-22)33-32-26-6-4-5-7-27(26)34-31(35-32)23-13-19-29(38-2)30(20-23)39-3/h4-20H,1-3H3,(H,33,34,35)/b18-10+ | 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 | 3.13E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description Inhibition of human C-terminal GFP-tagged ABCG2 expressed in MDCK2 cells using pheophorbide A as substrate preincubated for 20 mins followed by subst... |
Eur J Med Chem 117: 212-29 (2016)
Article DOI: 10.1016/j.ejmech.2016.03.067 BindingDB Entry DOI: 10.7270/Q23J3FW7 |
More data for this Ligand-Target Pair | |
Broad substrate specificity ATP-binding cassette transporter ABCG2
(Homo sapiens (Human)) | BDBM50174342
(CHEMBL3810160)Show SMILES COc1ccc(\C=C\C(=O)c2ccc(Nc3nc(nc4ccccc34)-c3ccccc3)cc2)cc1 Show InChI InChI=1S/C30H23N3O2/c1-35-25-18-11-21(12-19-25)13-20-28(34)22-14-16-24(17-15-22)31-30-26-9-5-6-10-27(26)32-29(33-30)23-7-3-2-4-8-23/h2-20H,1H3,(H,31,32,33)/b20-13+ | 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 | 3.55E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description Inhibition of human C-terminal GFP-tagged ABCG2 expressed in MDCK2 cells using pheophorbide A as substrate preincubated for 20 mins followed by subst... |
Eur J Med Chem 117: 212-29 (2016)
Article DOI: 10.1016/j.ejmech.2016.03.067 BindingDB Entry DOI: 10.7270/Q23J3FW7 |
More data for this Ligand-Target Pair | |
ATP-dependent translocase ABCB1
(Homo sapiens (Human)) | BDBM50174330
(CHEMBL3810327)Show SMILES COc1ccc(\C=C\C(=O)c2cccc(Nc3ncnc4cc(OC)c(OC)cc34)c2)cc1 Show InChI InChI=1S/C26H23N3O4/c1-31-20-10-7-17(8-11-20)9-12-23(30)18-5-4-6-19(13-18)29-26-21-14-24(32-2)25(33-3)15-22(21)27-16-28-26/h4-16H,1-3H3,(H,27,28,29)/b12-9+ | PDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 4.15E+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 A2780/ADR cells incubated for 30 mins measured up to 3600 secs with time intervals of 60 secs by calcein accumulation as... |
Eur J Med Chem 117: 212-29 (2016)
Article DOI: 10.1016/j.ejmech.2016.03.067 BindingDB Entry DOI: 10.7270/Q23J3FW7 |
More data for this Ligand-Target Pair | |
Broad substrate specificity ATP-binding cassette transporter ABCG2
(Homo sapiens (Human)) | BDBM50360498
(CHEMBL595816 | Go-Y034)Show InChI InChI=1S/C19H20O5/c1-21-16-9-6-13(11-18(16)23-3)5-8-15(20)14-7-10-17(22-2)19(12-14)24-4/h5-12H,1-4H3/b8-5+ | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 5.12E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description Inhibition of ABCG2 (unknown origin) |
Eur J Med Chem 117: 212-29 (2016)
Article DOI: 10.1016/j.ejmech.2016.03.067 BindingDB Entry DOI: 10.7270/Q23J3FW7 |
More data for this Ligand-Target Pair | |
ATP-dependent translocase ABCB1
(Homo sapiens (Human)) | BDBM50174322
(CHEMBL3809533)Show SMILES COc1cccc(\C=C\C(=O)c2ccc(Nc3ncnc4ccccc34)cc2)c1 Show InChI InChI=1S/C24H19N3O2/c1-29-20-6-4-5-17(15-20)9-14-23(28)18-10-12-19(13-11-18)27-24-21-7-2-3-8-22(21)25-16-26-24/h2-16H,1H3,(H,25,26,27)/b14-9+ | PDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 5.57E+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 A2780/ADR cells incubated for 30 mins measured up to 3600 secs with time intervals of 60 secs by calcein accumulation as... |
Eur J Med Chem 117: 212-29 (2016)
Article DOI: 10.1016/j.ejmech.2016.03.067 BindingDB Entry DOI: 10.7270/Q23J3FW7 |
More data for this Ligand-Target Pair | |
ATP-dependent translocase ABCB1
(Homo sapiens (Human)) | BDBM50174332
(CHEMBL3810064)Show SMILES COc1ccc(\C=C\C(=O)c2cccc(Nc3ncnc4ccccc34)c2)cc1 Show InChI InChI=1S/C24H19N3O2/c1-29-20-12-9-17(10-13-20)11-14-23(28)18-5-4-6-19(15-18)27-24-21-7-2-3-8-22(21)25-16-26-24/h2-16H,1H3,(H,25,26,27)/b14-11+ | PDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 7.08E+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 A2780/ADR cells incubated for 30 mins measured up to 3600 secs with time intervals of 60 secs by calcein accumulation as... |
Eur J Med Chem 117: 212-29 (2016)
Article DOI: 10.1016/j.ejmech.2016.03.067 BindingDB Entry DOI: 10.7270/Q23J3FW7 |
More data for this Ligand-Target Pair | |
ATP-dependent translocase ABCB1
(Homo sapiens (Human)) | BDBM50174320
(CHEMBL3809541)Show SMILES COc1cccc(\C=C\C(=O)c2ccc(Nc3ncnc4cc(OC)c(OC)cc34)cc2)c1 Show InChI InChI=1S/C26H23N3O4/c1-31-20-6-4-5-17(13-20)7-12-23(30)18-8-10-19(11-9-18)29-26-21-14-24(32-2)25(33-3)15-22(21)27-16-28-26/h4-16H,1-3H3,(H,27,28,29)/b12-7+ | PDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 7.55E+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 A2780/ADR cells incubated for 30 mins measured up to 3600 secs with time intervals of 60 secs by calcein accumulation as... |
Eur J Med Chem 117: 212-29 (2016)
Article DOI: 10.1016/j.ejmech.2016.03.067 BindingDB Entry DOI: 10.7270/Q23J3FW7 |
More data for this Ligand-Target Pair | |
ATP-dependent translocase ABCB1
(Homo sapiens (Human)) | BDBM50174324
(CHEMBL3810065)Show SMILES COc1cccc(\C=C\C(=O)c2cccc(Nc3nc(nc4ccccc34)-c3ccc(OC)c(OC)c3)c2)c1 Show InChI InChI=1S/C32H27N3O4/c1-37-25-11-6-8-21(18-25)14-16-28(36)22-9-7-10-24(19-22)33-32-26-12-4-5-13-27(26)34-31(35-32)23-15-17-29(38-2)30(20-23)39-3/h4-20H,1-3H3,(H,33,34,35)/b16-14+ | PDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 8.24E+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 A2780/ADR cells incubated for 30 mins measured up to 3600 secs with time intervals of 60 secs by calcein accumulation as... |
Eur J Med Chem 117: 212-29 (2016)
Article DOI: 10.1016/j.ejmech.2016.03.067 BindingDB Entry DOI: 10.7270/Q23J3FW7 |
More data for this Ligand-Target Pair | |
ATP-dependent translocase ABCB1
(Homo sapiens (Human)) | BDBM50174335
(CHEMBL3809957)Show SMILES COc1cccc(\C=C\C(=O)c2ccc(Nc3nc(nc4ccccc34)-c3ccc(OC)c(OC)c3)cc2)c1 Show InChI InChI=1S/C32H27N3O4/c1-37-25-8-6-7-21(19-25)11-17-28(36)22-12-15-24(16-13-22)33-32-26-9-4-5-10-27(26)34-31(35-32)23-14-18-29(38-2)30(20-23)39-3/h4-20H,1-3H3,(H,33,34,35)/b17-11+ | PDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1.46E+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 A2780/ADR cells incubated for 30 mins measured up to 3600 secs with time intervals of 60 secs by calcein accumulation as... |
Eur J Med Chem 117: 212-29 (2016)
Article DOI: 10.1016/j.ejmech.2016.03.067 BindingDB Entry DOI: 10.7270/Q23J3FW7 |
More data for this Ligand-Target Pair | |
ATP-dependent translocase ABCB1
(Homo sapiens (Human)) | BDBM50174334
(CHEMBL3809529)Show SMILES COc1ccc(\C=C\C(=O)c2ccc(Nc3nc(nc4ccccc34)-c3ccc(OC)c(OC)c3)cc2)cc1OC Show InChI InChI=1S/C33H29N3O5/c1-38-28-17-10-21(19-30(28)40-3)9-16-27(37)22-11-14-24(15-12-22)34-33-25-7-5-6-8-26(25)35-32(36-33)23-13-18-29(39-2)31(20-23)41-4/h5-20H,1-4H3,(H,34,35,36)/b16-9+ | PDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.49E+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 A2780/ADR cells incubated for 30 mins measured up to 3600 secs with time intervals of 60 secs by calcein accumulation as... |
Eur J Med Chem 117: 212-29 (2016)
Article DOI: 10.1016/j.ejmech.2016.03.067 BindingDB Entry DOI: 10.7270/Q23J3FW7 |
More data for this Ligand-Target Pair | |
ATP-dependent translocase ABCB1
(Homo sapiens (Human)) | BDBM50174338
(CHEMBL3808612)Show SMILES COc1ccc(\C=C\C(=O)c2ccc(Nc3nc(nc4ccccc34)-c3ccccc3)cc2)cc1OC Show InChI InChI=1S/C31H25N3O3/c1-36-28-19-13-21(20-29(28)37-2)12-18-27(35)22-14-16-24(17-15-22)32-31-25-10-6-7-11-26(25)33-30(34-31)23-8-4-3-5-9-23/h3-20H,1-2H3,(H,32,33,34)/b18-12+ | PDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1.88E+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 A2780/ADR cells incubated for 30 mins measured up to 3600 secs with time intervals of 60 secs by calcein accumulation as... |
Eur J Med Chem 117: 212-29 (2016)
Article DOI: 10.1016/j.ejmech.2016.03.067 BindingDB Entry DOI: 10.7270/Q23J3FW7 |
More data for this Ligand-Target Pair | |
ATP-dependent translocase ABCB1
(Homo sapiens (Human)) | BDBM50174337
(CHEMBL3809206)Show SMILES COc1cccc(\C=C\C(=O)c2ccc(Nc3nc(nc4ccccc34)-c3ccccc3)cc2)c1 Show InChI InChI=1S/C30H23N3O2/c1-35-25-11-7-8-21(20-25)14-19-28(34)22-15-17-24(18-16-22)31-30-26-12-5-6-13-27(26)32-29(33-30)23-9-3-2-4-10-23/h2-20H,1H3,(H,31,32,33)/b19-14+ | PDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.21E+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 A2780/ADR cells incubated for 30 mins measured up to 3600 secs with time intervals of 60 secs by calcein accumulation as... |
Eur J Med Chem 117: 212-29 (2016)
Article DOI: 10.1016/j.ejmech.2016.03.067 BindingDB Entry DOI: 10.7270/Q23J3FW7 |
More data for this Ligand-Target Pair | |