Found 40 hits Enz. Inhib. hit(s) with all data for entry = 50011813 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)) | BDBM50551365
![PNG](/data/jpeg/tenK5055/BindingDB_50551365.png) (CHEMBL4764773)Show SMILES CCC(=O)c1ccc(cc1NC(=O)c1ccc2ccccc2n1)-c1cn(nn1)-c1ccc(CCN2CCc3cc(OC)c(OC)cc3C2)cc1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
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MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 79 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of ABCG2 in topotecan-cultured human MCF7 cells using Hoechst 33342 as substrate measured after 2 hrs by fluorescence assay |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112133 BindingDB Entry DOI: 10.7270/Q2MP56XK |
More data for this Ligand-Target Pair | |
Broad substrate specificity ATP-binding cassette transporter ABCG2
(Homo sapiens (Human)) | BDBM50551367
![PNG](/data/jpeg/tenK5055/BindingDB_50551367.png) (CHEMBL4790452)Show SMILES CCC(=O)c1ccc(cc1NC(=O)c1ccc2ccccc2n1)-c1cn(nn1)-c1ccc(CCN2CCc3cc(OC)c(OCCOCCOCCOC)cc3C2)cc1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | 81 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of ABCG2 in topotecan-cultured human MCF7 cells using Hoechst 33342 as substrate measured after 2 hrs by fluorescence assay |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112133 BindingDB Entry DOI: 10.7270/Q2MP56XK |
More data for this Ligand-Target Pair | ![3D 3D](/images/Docked_3d.png) 3D Structure (crystal) |
Broad substrate specificity ATP-binding cassette transporter ABCG2
(Homo sapiens (Human)) | BDBM50305083
![PNG](/data/jpeg/tenK5030/BindingDB_50305083.png) (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 ![](/images/AffyNet_logo.png)
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CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 92 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of ABCG2 in topotecan-cultured human MCF7 cells using Hoechst 33342 as substrate measured after 2 hrs by fluorescence assay |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112133 BindingDB Entry DOI: 10.7270/Q2MP56XK |
More data for this Ligand-Target Pair | |
ATP-dependent translocase ABCB1
(Homo sapiens (Human)) | BDBM50551367
![PNG](/data/jpeg/tenK5055/BindingDB_50551367.png) (CHEMBL4790452)Show SMILES CCC(=O)c1ccc(cc1NC(=O)c1ccc2ccccc2n1)-c1cn(nn1)-c1ccc(CCN2CCc3cc(OC)c(OCCOCCOCCOC)cc3C2)cc1 | PDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | 93 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of sulfasalazine-stimulated ABCB1 ATPase activity (unknown origin) expressed in baculovirus infected Sf9 insect cells using ATP as substra... |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112133 BindingDB Entry DOI: 10.7270/Q2MP56XK |
More data for this Ligand-Target Pair | |
ATP-dependent translocase ABCB1
(Homo sapiens (Human)) | BDBM50551365
![PNG](/data/jpeg/tenK5055/BindingDB_50551365.png) (CHEMBL4764773)Show SMILES CCC(=O)c1ccc(cc1NC(=O)c1ccc2ccccc2n1)-c1cn(nn1)-c1ccc(CCN2CCc3cc(OC)c(OC)cc3C2)cc1 | PDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| Purchase
MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 96 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of sulfasalazine-stimulated ABCB1 ATPase activity (unknown origin) expressed in baculovirus infected Sf9 insect cells using ATP as substra... |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112133 BindingDB Entry DOI: 10.7270/Q2MP56XK |
More data for this Ligand-Target Pair | |
Broad substrate specificity ATP-binding cassette transporter ABCG2
(Homo sapiens (Human)) | BDBM50293015
![PNG](/data/jpeg/tenK5029/BindingDB_50293015.png) (CHEMBL502503 | Methyl 4-((4-(2-(6,7-Dimethoxy-1,2,...)Show SMILES COC(=O)c1ccc(cc1NC(=O)c1ccc2ccccc2n1)C(=O)Nc1ccc(CCN2CCc3cc(OC)c(OC)cc3C2)cc1 Show InChI InChI=1S/C38H36N4O6/c1-46-34-21-26-17-19-42(23-28(26)22-35(34)47-2)18-16-24-8-12-29(13-9-24)39-36(43)27-10-14-30(38(45)48-3)33(20-27)41-37(44)32-15-11-25-6-4-5-7-31(25)40-32/h4-15,20-22H,16-19,23H2,1-3H3,(H,39,43)(H,41,44) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 101 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of ABCG2 in topotecan-cultured human MCF7 cells using Hoechst 33342 as substrate measured after 2 hrs by fluorescence assay |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112133 BindingDB Entry DOI: 10.7270/Q2MP56XK |
More data for this Ligand-Target Pair | |
Broad substrate specificity ATP-binding cassette transporter ABCG2
(Homo sapiens (Human)) | BDBM50551364
![PNG](/data/jpeg/tenK5055/BindingDB_50551364.png) (CHEMBL4743830)Show SMILES COc1cc2CCN(CCc3ccc(cc3)-n3cc(nn3)-c3ccc(C(C)=O)c(NC(=O)c4ccc5ccccc5n4)c3)Cc2cc1OC | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of ABCG2 in topotecan-cultured human MCF7 cells using Hoechst 33342 as substrate measured after 2 hrs by fluorescence assay |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112133 BindingDB Entry DOI: 10.7270/Q2MP56XK |
More data for this Ligand-Target Pair | |
Broad substrate specificity ATP-binding cassette transporter ABCG2
(Homo sapiens (Human)) | BDBM50551363
![PNG](/data/jpeg/tenK5055/BindingDB_50551363.png) (CHEMBL4753800)Show SMILES COCCOCCOCCOc1cc2CN(CCc3ccc(cc3)-n3cc(nn3)-c3ccc(C(=O)OC)c(NC(=O)c4ccc5ccccc5n4)c3)CCc2cc1OC | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 144 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of ABCG2 in topotecan-cultured human MCF7 cells using Hoechst 33342 as substrate measured after 2 hrs by fluorescence assay |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112133 BindingDB Entry DOI: 10.7270/Q2MP56XK |
More data for this Ligand-Target Pair | |
Broad substrate specificity ATP-binding cassette transporter ABCG2
(Homo sapiens (Human)) | BDBM50551360
![PNG](/data/jpeg/tenK5055/BindingDB_50551360.png) (CHEMBL4744075)Show SMILES COCCOCCOCCOc1cc2CN(Cc3ccc(cc3)-n3cc(nn3)-c3ccc(C(=O)OC)c(NC(=O)c4ccc5ccccc5n4)c3)CCc2cc1OC | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 153 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of ABCG2 in topotecan-cultured human MCF7 cells using Hoechst 33342 as substrate measured after 2 hrs by fluorescence assay |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112133 BindingDB Entry DOI: 10.7270/Q2MP56XK |
More data for this Ligand-Target Pair | |
ATP-dependent translocase ABCB1
(Homo sapiens (Human)) | BDBM50379209
![PNG](/data/jpeg/tenK5037/BindingDB_50379209.png) (CHEMBL2011282)Show SMILES COc1ccc(CCNC(=O)c2cc(=O)c3c(OCc4ccccc4)cccc3o2)cc1OC Show InChI InChI=1S/C27H25NO6/c1-31-21-12-11-18(15-24(21)32-2)13-14-28-27(30)25-16-20(29)26-22(9-6-10-23(26)34-25)33-17-19-7-4-3-5-8-19/h3-12,15-16H,13-14,17H2,1-2H3,(H,28,30) | PDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 194 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of sulfasalazine-stimulated ABCB1 ATPase activity (unknown origin) expressed in baculovirus infected Sf9 insect cells using ATP as substra... |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112133 BindingDB Entry DOI: 10.7270/Q2MP56XK |
More data for this Ligand-Target Pair | |
ATP-dependent translocase ABCB1
(Homo sapiens (Human)) | BDBM50536032
![PNG](/data/jpeg/tenK5053/BindingDB_50536032.png) (CHEMBL4534001)Show SMILES COc1ccc(cc1)C(=O)N1CCc2c([nH]c3ccccc23)C1c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C25H20Cl2N2O2/c1-31-17-9-6-15(7-10-17)25(30)29-13-12-19-18-4-2-3-5-22(18)28-23(19)24(29)16-8-11-20(26)21(27)14-16/h2-11,14,24,28H,12-13H2,1H3 | PDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
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PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 226 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of sulfasalazine-stimulated ABCB1 ATPase activity (unknown origin) expressed in baculovirus infected Sf9 insect cells using ATP as substra... |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112133 BindingDB Entry DOI: 10.7270/Q2MP56XK |
More data for this Ligand-Target Pair | |
ATP-dependent translocase ABCB1
(Homo sapiens (Human)) | BDBM50305083
![PNG](/data/jpeg/tenK5030/BindingDB_50305083.png) (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
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 271 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of sulfasalazine-stimulated ABCB1 ATPase activity (unknown origin) expressed in baculovirus infected Sf9 insect cells using ATP as substra... |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112133 BindingDB Entry DOI: 10.7270/Q2MP56XK |
More data for this Ligand-Target Pair | |
ATP-dependent translocase ABCB1
(Homo sapiens (Human)) | BDBM50293015
![PNG](/data/jpeg/tenK5029/BindingDB_50293015.png) (CHEMBL502503 | Methyl 4-((4-(2-(6,7-Dimethoxy-1,2,...)Show SMILES COC(=O)c1ccc(cc1NC(=O)c1ccc2ccccc2n1)C(=O)Nc1ccc(CCN2CCc3cc(OC)c(OC)cc3C2)cc1 Show InChI InChI=1S/C38H36N4O6/c1-46-34-21-26-17-19-42(23-28(26)22-35(34)47-2)18-16-24-8-12-29(13-9-24)39-36(43)27-10-14-30(38(45)48-3)33(20-27)41-37(44)32-15-11-25-6-4-5-7-31(25)40-32/h4-15,20-22H,16-19,23H2,1-3H3,(H,39,43)(H,41,44) | PDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 294 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of sulfasalazine-stimulated ABCB1 ATPase activity (unknown origin) expressed in baculovirus infected Sf9 insect cells using ATP as substra... |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112133 BindingDB Entry DOI: 10.7270/Q2MP56XK |
More data for this Ligand-Target Pair | |
Broad substrate specificity ATP-binding cassette transporter ABCG2
(Homo sapiens (Human)) | BDBM50551366
![PNG](/data/jpeg/tenK5055/BindingDB_50551366.png) (CHEMBL4748169)Show SMILES COc1cc2CCN(CCc3ccc(cc3)-n3cc(nn3)-c3ccc(C(=O)C(C)C)c(NC(=O)c4ccc5ccccc5n4)c3)Cc2cc1OC | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 295 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of ABCG2 in topotecan-cultured human MCF7 cells using Hoechst 33342 as substrate measured after 2 hrs by fluorescence assay |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112133 BindingDB Entry DOI: 10.7270/Q2MP56XK |
More data for this Ligand-Target Pair | |
Broad substrate specificity ATP-binding cassette transporter ABCG2
(Homo sapiens (Human)) | BDBM50551359
![PNG](/data/jpeg/tenK5055/BindingDB_50551359.png) (CHEMBL4788617)Show SMILES COC(=O)c1ccc(cc1NC(=O)c1ccc2ccccc2n1)-c1cn(nn1)-c1ccc(CN2CCc3cc(OC)c(OC)cc3C2)cc1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 350 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of ABCG2 in topotecan-cultured human MCF7 cells using Hoechst 33342 as substrate measured after 2 hrs by fluorescence assay |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112133 BindingDB Entry DOI: 10.7270/Q2MP56XK |
More data for this Ligand-Target Pair | |
ATP-dependent translocase ABCB1
(Homo sapiens (Human)) | BDBM50075373
![PNG](/data/jpeg/tenK5007/BindingDB_50075373.png) (1N-{4-[2-(6,7-dimethoxy-1,2,3,4-tetrahydro-2-isoqu...)Show SMILES COc1cc2CCN(CCc3ccc(NC(=O)c4cc(OC)c(OC)cc4NC(=O)c4cnc5ccccc5c4)cc3)Cc2cc1OC Show InChI InChI=1S/C38H38N4O6/c1-45-33-18-25-14-16-42(23-28(25)19-34(33)46-2)15-13-24-9-11-29(12-10-24)40-38(44)30-20-35(47-3)36(48-4)21-32(30)41-37(43)27-17-26-7-5-6-8-31(26)39-22-27/h5-12,17-22H,13-16,23H2,1-4H3,(H,40,44)(H,41,43) | PDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
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CHEMBL MCE PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 356 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of ABCB1 in human KB-V1 cells using calcein-AM as substrate measured after 10 mins by fluorescence assay |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112133 BindingDB Entry DOI: 10.7270/Q2MP56XK |
More data for this Ligand-Target Pair | ![3D 3D](/images/Docked_3d.png) 3D Structure (crystal) |
Broad substrate specificity ATP-binding cassette transporter ABCG2
(Homo sapiens (Human)) | BDBM50551361
![PNG](/data/jpeg/tenK5055/BindingDB_50551361.png) (CHEMBL4783985)Show SMILES COC(=O)c1ccc(cc1NC(=O)c1ccc2ccccc2n1)-c1cn(nn1)-c1ccc(CCN2CCc3ccccc3C2)cc1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 486 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of ABCG2 in topotecan-cultured human MCF7 cells using Hoechst 33342 as substrate measured after 2 hrs by fluorescence assay |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112133 BindingDB Entry DOI: 10.7270/Q2MP56XK |
More data for this Ligand-Target Pair | |
Broad substrate specificity ATP-binding cassette transporter ABCG2
(Homo sapiens (Human)) | BDBM50551362
![PNG](/data/jpeg/tenK5055/BindingDB_50551362.png) (CHEMBL4747726)Show SMILES COC(=O)c1ccc(cc1NC(=O)c1ccc2ccccc2n1)-c1cn(nn1)-c1ccc(CCN2CCc3cc(OC)c(OC)cc3C2)cc1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 617 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of ABCG2 in topotecan-cultured human MCF7 cells using Hoechst 33342 as substrate measured after 2 hrs by fluorescence assay |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112133 BindingDB Entry DOI: 10.7270/Q2MP56XK |
More data for this Ligand-Target Pair | |
Broad substrate specificity ATP-binding cassette transporter ABCG2
(Homo sapiens (Human)) | BDBM50379211
![PNG](/data/jpeg/tenK5037/BindingDB_50379211.png) (CHEMBL2011288)Show SMILES COc1ccc2[nH]cc(CCNC(=O)c3cc(=O)c4c(OCc5ccc(Br)cc5)cccc4o3)c2c1 Show InChI InChI=1S/C28H23BrN2O5/c1-34-20-9-10-22-21(13-20)18(15-31-22)11-12-30-28(33)26-14-23(32)27-24(3-2-4-25(27)36-26)35-16-17-5-7-19(29)8-6-17/h2-10,13-15,31H,11-12,16H2,1H3,(H,30,33) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 707 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of ABCG2 in topotecan-cultured human MCF7 cells using Hoechst 33342 as substrate measured after 2 hrs by fluorescence assay |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112133 BindingDB Entry DOI: 10.7270/Q2MP56XK |
More data for this Ligand-Target Pair | |
ATP-dependent translocase ABCB1
(Homo sapiens (Human)) | BDBM50379211
![PNG](/data/jpeg/tenK5037/BindingDB_50379211.png) (CHEMBL2011288)Show SMILES COc1ccc2[nH]cc(CCNC(=O)c3cc(=O)c4c(OCc5ccc(Br)cc5)cccc4o3)c2c1 Show InChI InChI=1S/C28H23BrN2O5/c1-34-20-9-10-22-21(13-20)18(15-31-22)11-12-30-28(33)26-14-23(32)27-24(3-2-4-25(27)36-26)35-16-17-5-7-19(29)8-6-17/h2-10,13-15,31H,11-12,16H2,1H3,(H,30,33) | PDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 745 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of sulfasalazine-stimulated ABCB1 ATPase activity (unknown origin) expressed in baculovirus infected Sf9 insect cells using ATP as substra... |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112133 BindingDB Entry DOI: 10.7270/Q2MP56XK |
More data for this Ligand-Target Pair | |
Broad substrate specificity ATP-binding cassette transporter ABCG2
(Homo sapiens (Human)) | BDBM50536032
![PNG](/data/jpeg/tenK5053/BindingDB_50536032.png) (CHEMBL4534001)Show SMILES COc1ccc(cc1)C(=O)N1CCc2c([nH]c3ccccc23)C1c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C25H20Cl2N2O2/c1-31-17-9-6-15(7-10-17)25(30)29-13-12-19-18-4-2-3-5-22(18)28-23(19)24(29)16-8-11-20(26)21(27)14-16/h2-11,14,24,28H,12-13H2,1H3 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
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| Article PubMed
| n/a | n/a | 1.12E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of ABCG2 in topotecan-cultured human MCF7 cells using Hoechst 33342 as substrate measured after 2 hrs by fluorescence assay |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112133 BindingDB Entry DOI: 10.7270/Q2MP56XK |
More data for this Ligand-Target Pair | |
Broad substrate specificity ATP-binding cassette transporter ABCG2
(Homo sapiens (Human)) | BDBM32628
![PNG](/data/jpeg/tenK3/BindingDB_32628.png) (FTC | Fumitremorgin C)Show SMILES [H][C@@]12CCCN1C(=O)[C@]1([H])Cc3c([nH]c4cc(OC)ccc34)[C@H](C=C(C)C)N1C2=O |wU:8.9,1.0,wD:22.25,(21.14,-14.06,;22.39,-14.97,;22.72,-13.41,;24.31,-13.24,;24.96,-14.7,;23.78,-15.77,;23.76,-17.37,;25.09,-18.16,;22.36,-18.15,;23.69,-18.93,;22.36,-19.69,;21.03,-20.46,;19.7,-19.69,;18.56,-20.72,;19.18,-22.12,;18.51,-23.56,;19.44,-24.86,;18.81,-26.27,;19.7,-27.52,;21.02,-24.7,;21.66,-23.24,;20.71,-21.96,;19.7,-18.15,;18.36,-17.38,;17.03,-18.15,;15.7,-17.38,;17.03,-19.69,;21.03,-17.38,;21,-15.78,;19.66,-15.02,)| Show InChI InChI=1S/C22H25N3O3/c1-12(2)9-18-20-15(14-7-6-13(28-3)10-16(14)23-20)11-19-21(26)24-8-4-5-17(24)22(27)25(18)19/h6-7,9-10,17-19,23H,4-5,8,11H2,1-3H3/t17-,18-,19-/m0/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| n/a | n/a | 1.48E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of ABCG2 in topotecan-cultured human MCF7 cells using Hoechst 33342 as substrate measured after 2 hrs by fluorescence assay |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112133 BindingDB Entry DOI: 10.7270/Q2MP56XK |
More data for this Ligand-Target Pair | |
ATP-dependent translocase ABCB1
(Homo sapiens (Human)) | BDBM50551363
![PNG](/data/jpeg/tenK5055/BindingDB_50551363.png) (CHEMBL4753800)Show SMILES COCCOCCOCCOc1cc2CN(CCc3ccc(cc3)-n3cc(nn3)-c3ccc(C(=O)OC)c(NC(=O)c4ccc5ccccc5n4)c3)CCc2cc1OC | PDB
UniProtKB/SwissProt
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| n/a | n/a | 1.62E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of ABCB1 in human KB-V1 cells using calcein-AM as substrate measured after 10 mins by fluorescence assay |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112133 BindingDB Entry DOI: 10.7270/Q2MP56XK |
More data for this Ligand-Target Pair | |
Broad substrate specificity ATP-binding cassette transporter ABCG2
(Homo sapiens (Human)) | BDBM50379209
![PNG](/data/jpeg/tenK5037/BindingDB_50379209.png) (CHEMBL2011282)Show SMILES COc1ccc(CCNC(=O)c2cc(=O)c3c(OCc4ccccc4)cccc3o2)cc1OC Show InChI InChI=1S/C27H25NO6/c1-31-21-12-11-18(15-24(21)32-2)13-14-28-27(30)25-16-20(29)26-22(9-6-10-23(26)34-25)33-17-19-7-4-3-5-8-19/h3-12,15-16H,13-14,17H2,1-2H3,(H,28,30) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| Article PubMed
| n/a | n/a | 1.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of ABCG2 in topotecan-cultured human MCF7 cells using Hoechst 33342 as substrate measured after 2 hrs by fluorescence assay |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112133 BindingDB Entry DOI: 10.7270/Q2MP56XK |
More data for this Ligand-Target Pair | |
ATP-dependent translocase ABCB1
(Homo sapiens (Human)) | BDBM32628
![PNG](/data/jpeg/tenK3/BindingDB_32628.png) (FTC | Fumitremorgin C)Show SMILES [H][C@@]12CCCN1C(=O)[C@]1([H])Cc3c([nH]c4cc(OC)ccc34)[C@H](C=C(C)C)N1C2=O |wU:8.9,1.0,wD:22.25,(21.14,-14.06,;22.39,-14.97,;22.72,-13.41,;24.31,-13.24,;24.96,-14.7,;23.78,-15.77,;23.76,-17.37,;25.09,-18.16,;22.36,-18.15,;23.69,-18.93,;22.36,-19.69,;21.03,-20.46,;19.7,-19.69,;18.56,-20.72,;19.18,-22.12,;18.51,-23.56,;19.44,-24.86,;18.81,-26.27,;19.7,-27.52,;21.02,-24.7,;21.66,-23.24,;20.71,-21.96,;19.7,-18.15,;18.36,-17.38,;17.03,-18.15,;15.7,-17.38,;17.03,-19.69,;21.03,-17.38,;21,-15.78,;19.66,-15.02,)| Show InChI InChI=1S/C22H25N3O3/c1-12(2)9-18-20-15(14-7-6-13(28-3)10-16(14)23-20)11-19-21(26)24-8-4-5-17(24)22(27)25(18)19/h6-7,9-10,17-19,23H,4-5,8,11H2,1-3H3/t17-,18-,19-/m0/s1 | PDB
UniProtKB/SwissProt
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| n/a | n/a | 1.81E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of sulfasalazine-stimulated ABCB1 ATPase activity (unknown origin) expressed in baculovirus infected Sf9 insect cells using ATP as substra... |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112133 BindingDB Entry DOI: 10.7270/Q2MP56XK |
More data for this Ligand-Target Pair | |
Broad substrate specificity ATP-binding cassette transporter ABCG2
(Homo sapiens (Human)) | BDBM50551358
![PNG](/data/jpeg/tenK5055/BindingDB_50551358.png) (CHEMBL4786467)Show SMILES COc1ccc(cc1OC)C(=C\c1ccc(s1)N1CCC(O)CC1)\C#N | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
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| n/a | n/a | 3.35E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of ABCG2 in topotecan-cultured human MCF7 cells using Hoechst 33342 as substrate measured after 2 hrs by fluorescence assay |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112133 BindingDB Entry DOI: 10.7270/Q2MP56XK |
More data for this Ligand-Target Pair | |
Multidrug resistance-associated protein 1
(Homo sapiens (Human)) | BDBM50379211
![PNG](/data/jpeg/tenK5037/BindingDB_50379211.png) (CHEMBL2011288)Show SMILES COc1ccc2[nH]cc(CCNC(=O)c3cc(=O)c4c(OCc5ccc(Br)cc5)cccc4o3)c2c1 Show InChI InChI=1S/C28H23BrN2O5/c1-34-20-9-10-22-21(13-20)18(15-31-22)11-12-30-28(33)26-14-23(32)27-24(3-2-4-25(27)36-26)35-16-17-5-7-19(29)8-6-17/h2-10,13-15,31H,11-12,16H2,1H3,(H,30,33) | PDB
UniProtKB/SwissProt
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Similars
| Article PubMed
| n/a | n/a | 3.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of human ABCC1 transfected in MDCK2-MRP1 cells using calcein-AM as substrate measured after 1 hr by fluorescence assay |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112133 BindingDB Entry DOI: 10.7270/Q2MP56XK |
More data for this Ligand-Target Pair | |
Broad substrate specificity ATP-binding cassette transporter ABCG2
(Homo sapiens (Human)) | BDBM50075373
![PNG](/data/jpeg/tenK5007/BindingDB_50075373.png) (1N-{4-[2-(6,7-dimethoxy-1,2,3,4-tetrahydro-2-isoqu...)Show SMILES COc1cc2CCN(CCc3ccc(NC(=O)c4cc(OC)c(OC)cc4NC(=O)c4cnc5ccccc5c4)cc3)Cc2cc1OC Show InChI InChI=1S/C38H38N4O6/c1-45-33-18-25-14-16-42(23-28(25)19-34(33)46-2)15-13-24-9-11-29(12-10-24)40-38(44)30-20-35(47-3)36(48-4)21-32(30)41-37(43)27-17-26-7-5-6-8-31(26)39-22-27/h5-12,17-22H,13-16,23H2,1-4H3,(H,40,44)(H,41,43) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| n/a | n/a | 6.22E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of ABCG2 in topotecan-cultured human MCF7 cells using Hoechst 33342 as substrate measured after 2 hrs by fluorescence assay |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112133 BindingDB Entry DOI: 10.7270/Q2MP56XK |
More data for this Ligand-Target Pair | ![3D 3D](/images/Docked_3d.png) 3D Structure (crystal) |
Multidrug resistance-associated protein 1
(Homo sapiens (Human)) | BDBM50305083
![PNG](/data/jpeg/tenK5030/BindingDB_50305083.png) (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
UniProtKB/SwissProt
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| n/a | n/a | 6.65E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of human ABCC1 transfected in MDCK2-MRP1 cells using calcein-AM as substrate measured after 1 hr by fluorescence assay |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112133 BindingDB Entry DOI: 10.7270/Q2MP56XK |
More data for this Ligand-Target Pair | |
ATP-dependent translocase ABCB1
(Homo sapiens (Human)) | BDBM50379211
![PNG](/data/jpeg/tenK5037/BindingDB_50379211.png) (CHEMBL2011288)Show SMILES COc1ccc2[nH]cc(CCNC(=O)c3cc(=O)c4c(OCc5ccc(Br)cc5)cccc4o3)c2c1 Show InChI InChI=1S/C28H23BrN2O5/c1-34-20-9-10-22-21(13-20)18(15-31-22)11-12-30-28(33)26-14-23(32)27-24(3-2-4-25(27)36-26)35-16-17-5-7-19(29)8-6-17/h2-10,13-15,31H,11-12,16H2,1H3,(H,30,33) | PDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
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Similars
| Article PubMed
| n/a | n/a | 6.76E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of ABCB1 in human KB-V1 cells using calcein-AM as substrate measured after 10 mins by fluorescence assay |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112133 BindingDB Entry DOI: 10.7270/Q2MP56XK |
More data for this Ligand-Target Pair | |
ATP-dependent translocase ABCB1
(Homo sapiens (Human)) | BDBM50551367
![PNG](/data/jpeg/tenK5055/BindingDB_50551367.png) (CHEMBL4790452)Show SMILES CCC(=O)c1ccc(cc1NC(=O)c1ccc2ccccc2n1)-c1cn(nn1)-c1ccc(CCN2CCc3cc(OC)c(OCCOCCOCCOC)cc3C2)cc1 | PDB
UniProtKB/SwissProt
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| n/a | n/a | n/a | n/a | 52 | n/a | n/a | n/a | n/a |
TBA
| Assay Description Activation of ABCB1 ATPase activity (unknown origin) expressed in baculovirus infected Sf9 insect cells using ATP as substrate measured after 1 hr by... |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112133 BindingDB Entry DOI: 10.7270/Q2MP56XK |
More data for this Ligand-Target Pair | |
ATP-dependent translocase ABCB1
(Homo sapiens (Human)) | BDBM50103596
![PNG](/data/jpeg/tenK5010/BindingDB_50103596.png) ((E)-2-hydroxy-5-((4-(N-pyridin-2-ylsulfamoyl)-phen...)Show SMILES OC(=O)c1cc(ccc1O)\N=N\c1ccc(cc1)S(=O)(=O)Nc1ccccn1 Show InChI InChI=1S/C18H14N4O5S/c23-16-9-6-13(11-15(16)18(24)25)21-20-12-4-7-14(8-5-12)28(26,27)22-17-3-1-2-10-19-17/h1-11,23H,(H,19,22)(H,24,25)/b21-20+ | PDB
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| n/a | n/a | n/a | n/a | 916 | n/a | n/a | n/a | n/a |
TBA
| Assay Description Activation of ABCB1 ATPase activity (unknown origin) expressed in baculovirus infected Sf9 insect cells using ATP as substrate measured after 1 hr by... |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112133 BindingDB Entry DOI: 10.7270/Q2MP56XK |
More data for this Ligand-Target Pair | |
ATP-dependent translocase ABCB1
(Homo sapiens (Human)) | BDBM50551365
![PNG](/data/jpeg/tenK5055/BindingDB_50551365.png) (CHEMBL4764773)Show SMILES CCC(=O)c1ccc(cc1NC(=O)c1ccc2ccccc2n1)-c1cn(nn1)-c1ccc(CCN2CCc3cc(OC)c(OC)cc3C2)cc1 | PDB
UniProtKB/SwissProt
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| n/a | n/a | n/a | n/a | 70 | n/a | n/a | n/a | n/a |
TBA
| Assay Description Activation of ABCB1 ATPase activity (unknown origin) expressed in baculovirus infected Sf9 insect cells using ATP as substrate measured after 1 hr by... |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112133 BindingDB Entry DOI: 10.7270/Q2MP56XK |
More data for this Ligand-Target Pair | |
ATP-dependent translocase ABCB1
(Homo sapiens (Human)) | BDBM50293015
![PNG](/data/jpeg/tenK5029/BindingDB_50293015.png) (CHEMBL502503 | Methyl 4-((4-(2-(6,7-Dimethoxy-1,2,...)Show SMILES COC(=O)c1ccc(cc1NC(=O)c1ccc2ccccc2n1)C(=O)Nc1ccc(CCN2CCc3cc(OC)c(OC)cc3C2)cc1 Show InChI InChI=1S/C38H36N4O6/c1-46-34-21-26-17-19-42(23-28(26)22-35(34)47-2)18-16-24-8-12-29(13-9-24)39-36(43)27-10-14-30(38(45)48-3)33(20-27)41-37(44)32-15-11-25-6-4-5-7-31(25)40-32/h4-15,20-22H,16-19,23H2,1-3H3,(H,39,43)(H,41,44) | PDB
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| n/a | n/a | n/a | n/a | 105 | n/a | n/a | n/a | n/a |
TBA
| Assay Description Activation of ABCB1 ATPase activity (unknown origin) expressed in baculovirus infected Sf9 insect cells using ATP as substrate measured after 1 hr by... |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112133 BindingDB Entry DOI: 10.7270/Q2MP56XK |
More data for this Ligand-Target Pair | |
ATP-dependent translocase ABCB1
(Homo sapiens (Human)) | BDBM50551358
![PNG](/data/jpeg/tenK5055/BindingDB_50551358.png) (CHEMBL4786467)Show SMILES COc1ccc(cc1OC)C(=C\c1ccc(s1)N1CCC(O)CC1)\C#N | PDB
UniProtKB/SwissProt
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| n/a | n/a | n/a | n/a | 327 | n/a | n/a | n/a | n/a |
TBA
| Assay Description Activation of ABCB1 ATPase activity (unknown origin) expressed in baculovirus infected Sf9 insect cells using ATP as substrate measured after 1 hr by... |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112133 BindingDB Entry DOI: 10.7270/Q2MP56XK |
More data for this Ligand-Target Pair | |
ATP-dependent translocase ABCB1
(Homo sapiens (Human)) | BDBM50379209
![PNG](/data/jpeg/tenK5037/BindingDB_50379209.png) (CHEMBL2011282)Show SMILES COc1ccc(CCNC(=O)c2cc(=O)c3c(OCc4ccccc4)cccc3o2)cc1OC Show InChI InChI=1S/C27H25NO6/c1-31-21-12-11-18(15-24(21)32-2)13-14-28-27(30)25-16-20(29)26-22(9-6-10-23(26)34-25)33-17-19-7-4-3-5-8-19/h3-12,15-16H,13-14,17H2,1-2H3,(H,28,30) | PDB
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TBA
| Assay Description Activation of ABCB1 ATPase activity (unknown origin) expressed in baculovirus infected Sf9 insect cells using ATP as substrate measured after 1 hr by... |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112133 BindingDB Entry DOI: 10.7270/Q2MP56XK |
More data for this Ligand-Target Pair | |
ATP-dependent translocase ABCB1
(Homo sapiens (Human)) | BDBM50536032
![PNG](/data/jpeg/tenK5053/BindingDB_50536032.png) (CHEMBL4534001)Show SMILES COc1ccc(cc1)C(=O)N1CCc2c([nH]c3ccccc23)C1c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C25H20Cl2N2O2/c1-31-17-9-6-15(7-10-17)25(30)29-13-12-19-18-4-2-3-5-22(18)28-23(19)24(29)16-8-11-20(26)21(27)14-16/h2-11,14,24,28H,12-13H2,1H3 | PDB
UniProtKB/SwissProt
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| Article PubMed
| n/a | n/a | n/a | n/a | 134 | n/a | n/a | n/a | n/a |
TBA
| Assay Description Activation of ABCB1 ATPase activity (unknown origin) expressed in baculovirus infected Sf9 insect cells using ATP as substrate measured after 1 hr by... |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112133 BindingDB Entry DOI: 10.7270/Q2MP56XK |
More data for this Ligand-Target Pair | |
ATP-dependent translocase ABCB1
(Homo sapiens (Human)) | BDBM50075373
![PNG](/data/jpeg/tenK5007/BindingDB_50075373.png) (1N-{4-[2-(6,7-dimethoxy-1,2,3,4-tetrahydro-2-isoqu...)Show SMILES COc1cc2CCN(CCc3ccc(NC(=O)c4cc(OC)c(OC)cc4NC(=O)c4cnc5ccccc5c4)cc3)Cc2cc1OC Show InChI InChI=1S/C38H38N4O6/c1-45-33-18-25-14-16-42(23-28(25)19-34(33)46-2)15-13-24-9-11-29(12-10-24)40-38(44)30-20-35(47-3)36(48-4)21-32(30)41-37(43)27-17-26-7-5-6-8-31(26)39-22-27/h5-12,17-22H,13-16,23H2,1-4H3,(H,40,44)(H,41,43) | PDB
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| n/a | n/a | n/a | n/a | 211 | n/a | n/a | n/a | n/a |
TBA
| Assay Description Activation of ABCB1 ATPase activity (unknown origin) expressed in baculovirus infected Sf9 insect cells using ATP as substrate measured after 1 hr by... |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112133 BindingDB Entry DOI: 10.7270/Q2MP56XK |
More data for this Ligand-Target Pair | ![3D 3D](/images/Docked_3d.png) 3D Structure (crystal) |
ATP-dependent translocase ABCB1
(Homo sapiens (Human)) | BDBM32628
![PNG](/data/jpeg/tenK3/BindingDB_32628.png) (FTC | Fumitremorgin C)Show SMILES [H][C@@]12CCCN1C(=O)[C@]1([H])Cc3c([nH]c4cc(OC)ccc34)[C@H](C=C(C)C)N1C2=O |wU:8.9,1.0,wD:22.25,(21.14,-14.06,;22.39,-14.97,;22.72,-13.41,;24.31,-13.24,;24.96,-14.7,;23.78,-15.77,;23.76,-17.37,;25.09,-18.16,;22.36,-18.15,;23.69,-18.93,;22.36,-19.69,;21.03,-20.46,;19.7,-19.69,;18.56,-20.72,;19.18,-22.12,;18.51,-23.56,;19.44,-24.86,;18.81,-26.27,;19.7,-27.52,;21.02,-24.7,;21.66,-23.24,;20.71,-21.96,;19.7,-18.15,;18.36,-17.38,;17.03,-18.15,;15.7,-17.38,;17.03,-19.69,;21.03,-17.38,;21,-15.78,;19.66,-15.02,)| Show InChI InChI=1S/C22H25N3O3/c1-12(2)9-18-20-15(14-7-6-13(28-3)10-16(14)23-20)11-19-21(26)24-8-4-5-17(24)22(27)25(18)19/h6-7,9-10,17-19,23H,4-5,8,11H2,1-3H3/t17-,18-,19-/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
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Patents
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 412 | n/a | n/a | n/a | n/a |
TBA
| Assay Description Activation of ABCB1 ATPase activity (unknown origin) expressed in baculovirus infected Sf9 insect cells using ATP as substrate measured after 1 hr by... |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112133 BindingDB Entry DOI: 10.7270/Q2MP56XK |
More data for this Ligand-Target Pair | |
ATP-dependent translocase ABCB1
(Homo sapiens (Human)) | BDBM50305083
![PNG](/data/jpeg/tenK5030/BindingDB_50305083.png) (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
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
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CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 70 | n/a | n/a | n/a | n/a |
TBA
| Assay Description Activation of ABCB1 ATPase activity (unknown origin) expressed in baculovirus infected Sf9 insect cells using ATP as substrate measured after 1 hr by... |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112133 BindingDB Entry DOI: 10.7270/Q2MP56XK |
More data for this Ligand-Target Pair | |