Found 15 hits of ki data for polymerid = 4026 Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/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)) | BDBM50569927
(CHEMBL4851961)Show SMILES COc1cccc(CCn2c3-c4ccccc4C(=O)c3c3c(OCCCCOc4cccc5n(CCc6cccc(OC)c6)c6-c7ccccc7C(=O)c6c45)cccc23)c1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Uncompetitive inhibition of human ABCG2 transfected in human HEK293 cells assessed as Ki2 for inhibition of mitoxantrone efflux measured after 30 min... |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.113017 BindingDB Entry DOI: 10.7270/Q2VX0M95 |
More data for this Ligand-Target Pair | |
Broad substrate specificity ATP-binding cassette transporter ABCG2
(Homo sapiens (Human)) | BDBM50569927
(CHEMBL4851961)Show SMILES COc1cccc(CCn2c3-c4ccccc4C(=O)c3c3c(OCCCCOc4cccc5n(CCc6cccc(OC)c6)c6-c7ccccc7C(=O)c6c45)cccc23)c1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 29 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Mixed inhibition of human ABCG2 transfected in human HEK293 cells assessed as Ki2 for inhibition of Hoechst33342 efflux measured after 30 mins by FAC... |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.113017 BindingDB Entry DOI: 10.7270/Q2VX0M95 |
More data for this Ligand-Target Pair | |
Broad substrate specificity ATP-binding cassette transporter ABCG2
(Homo sapiens (Human)) | BDBM50569929
(CHEMBL4876781)Show SMILES COc1cccc(CCn2c3-c4ccccc4C(=O)c3c3c(OCCCCCCOc4ccc5C(=O)c6c7c(CC(C)CC7=O)n(CCc7ccccc7)c6-c5c4)cccc23)c1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 38 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Uncompetitive inhibition of human ABCG2 transfected in human HEK293 cells assessed as Ki2 for inhibition of mitoxantrone efflux measured after 30 min... |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.113017 BindingDB Entry DOI: 10.7270/Q2VX0M95 |
More data for this Ligand-Target Pair | |
Broad substrate specificity ATP-binding cassette transporter ABCG2
(Homo sapiens (Human)) | BDBM50569929
(CHEMBL4876781)Show SMILES COc1cccc(CCn2c3-c4ccccc4C(=O)c3c3c(OCCCCCCOc4ccc5C(=O)c6c7c(CC(C)CC7=O)n(CCc7ccccc7)c6-c5c4)cccc23)c1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 42 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Mixed inhibition of human ABCG2 transfected in human HEK293 cells assessed as Ki2 for inhibition of mitoxantrone efflux measured after 30 mins by FAC... |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.113017 BindingDB Entry DOI: 10.7270/Q2VX0M95 |
More data for this Ligand-Target Pair | |
Broad substrate specificity ATP-binding cassette transporter ABCG2
(Homo sapiens (Human)) | BDBM50569927
(CHEMBL4851961)Show SMILES COc1cccc(CCn2c3-c4ccccc4C(=O)c3c3c(OCCCCOc4cccc5n(CCc6cccc(OC)c6)c6-c7ccccc7C(=O)c6c45)cccc23)c1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 113 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Mixed inhibition of human ABCG2 transfected in human HEK293 cells assessed as Ki1 for inhibition of Hoechst33342 efflux measured after 30 mins by FAC... |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.113017 BindingDB Entry DOI: 10.7270/Q2VX0M95 |
More data for this Ligand-Target Pair | |
Broad substrate specificity ATP-binding cassette transporter ABCG2
(Homo sapiens (Human)) | BDBM50569928
(CHEMBL4875810)Show SMILES COc1cccc(CCn2c3-c4ccccc4C(=O)c3c3c(O)cccc23)c1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 188 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Mixed inhibition of human ABCG2 transfected in human HEK293 cells assessed as Ki1 for inhibition of mitoxantrone efflux measured after 30 mins by FAC... |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.113017 BindingDB Entry DOI: 10.7270/Q2VX0M95 |
More data for this Ligand-Target Pair | |
Broad substrate specificity ATP-binding cassette transporter ABCG2
(Homo sapiens (Human)) | BDBM50569929
(CHEMBL4876781)Show SMILES COc1cccc(CCn2c3-c4ccccc4C(=O)c3c3c(OCCCCCCOc4ccc5C(=O)c6c7c(CC(C)CC7=O)n(CCc7ccccc7)c6-c5c4)cccc23)c1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 192 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Mixed inhibition of human ABCG2 transfected in human HEK293 cells assessed as Ki1 for inhibition of mitoxantrone efflux measured after 30 mins by FAC... |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.113017 BindingDB Entry DOI: 10.7270/Q2VX0M95 |
More data for this Ligand-Target Pair | |
Broad substrate specificity ATP-binding cassette transporter ABCG2
(Homo sapiens (Human)) | BDBM50569928
(CHEMBL4875810)Show SMILES COc1cccc(CCn2c3-c4ccccc4C(=O)c3c3c(O)cccc23)c1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 250 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Non-competitive inhibition of human ABCG2 transfected in human HEK293 cells assessed as Ki2 for inhibition of mitoxantrone efflux measured after 30 m... |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.113017 BindingDB Entry DOI: 10.7270/Q2VX0M95 |
More data for this Ligand-Target Pair | |
Broad substrate specificity ATP-binding cassette transporter ABCG2
(Homo sapiens (Human)) | BDBM50569928
(CHEMBL4875810)Show SMILES COc1cccc(CCn2c3-c4ccccc4C(=O)c3c3c(O)cccc23)c1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 294 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Mixed inhibition of human ABCG2 transfected in human HEK293 cells assessed as Ki2 for inhibition of mitoxantrone efflux measured after 30 mins by FAC... |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.113017 BindingDB Entry DOI: 10.7270/Q2VX0M95 |
More data for this Ligand-Target Pair | |
Broad substrate specificity ATP-binding cassette transporter ABCG2
(Homo sapiens (Human)) | BDBM50029739
(CHEMBL3353414)Show SMILES CC1Cc2c(c3C(=O)c4ccccc4-c3n2CCc2ccccc2)C(=O)C1 Show InChI InChI=1S/C24H21NO2/c1-15-13-19-21(20(26)14-15)22-23(17-9-5-6-10-18(17)24(22)27)25(19)12-11-16-7-3-2-4-8-16/h2-10,15H,11-14H2,1H3 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 323 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Mixed inhibition of human ABCG2 transfected in human HEK293 cells assessed as Ki1 for inhibition of mitoxantrone efflux measured after 30 mins by FAC... |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.113017 BindingDB Entry DOI: 10.7270/Q2VX0M95 |
More data for this Ligand-Target Pair | |
Broad substrate specificity ATP-binding cassette transporter ABCG2
(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
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE KEGG MMDB PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 500 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hungarian Academy of Sciences
Curated by ChEMBL
| Assay Description TP_TRANSPORTER: inhibition of ATPase in membrane vesicle from BCRP-expressing Sf9 cells |
Biochem Biophys Res Commun 285: 111-7 (2001)
Article DOI: 10.1006/bbrc.2001.5130 BindingDB Entry DOI: 10.7270/Q2W37XK5 |
More data for this Ligand-Target Pair | |
Broad substrate specificity ATP-binding cassette transporter ABCG2
(Homo sapiens (Human)) | BDBM50029739
(CHEMBL3353414)Show SMILES CC1Cc2c(c3C(=O)c4ccccc4-c3n2CCc2ccccc2)C(=O)C1 Show InChI InChI=1S/C24H21NO2/c1-15-13-19-21(20(26)14-15)22-23(17-9-5-6-10-18(17)24(22)27)25(19)12-11-16-7-3-2-4-8-16/h2-10,15H,11-14H2,1H3 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 843 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Mixed inhibition of human ABCG2 transfected in human HEK293 cells assessed as Ki2 for inhibition of mitoxantrone efflux measured after 30 mins by FAC... |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.113017 BindingDB Entry DOI: 10.7270/Q2VX0M95 |
More data for this Ligand-Target Pair | |
Broad substrate specificity ATP-binding cassette transporter ABCG2
(Homo sapiens (Human)) | BDBM32628
(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
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hungarian Academy of Sciences
Curated by ChEMBL
| Assay Description TP_TRANSPORTER: inhibition of ATPase in membrane vesicle from BCRP-expressing Sf9 cells |
Biochem Biophys Res Commun 285: 111-7 (2001)
Article DOI: 10.1006/bbrc.2001.5130 BindingDB Entry DOI: 10.7270/Q2W37XK5 |
More data for this Ligand-Target Pair | |
Broad substrate specificity ATP-binding cassette transporter ABCG2
(Homo sapiens (Human)) | BDBM50239302
(CHEMBL4071857)Show SMILES FC(F)(F)c1ccc(Nc2nc(nc3ccccc23)-c2ccncc2)cc1 Show InChI InChI=1S/C20H13F3N4/c21-20(22,23)14-5-7-15(8-6-14)25-19-16-3-1-2-4-17(16)26-18(27-19)13-9-11-24-12-10-13/h1-12H,(H,25,26,27) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2.70E+4 | n/a | n/a | 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) ATPase activity expressed in baculovirus infected high five cell membranes by ascorbic acid/ammonia molybdate re... |
J Med Chem 60: 4474-4495 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00441 BindingDB Entry DOI: 10.7270/Q2GT5Q9V |
More data for this Ligand-Target Pair | |
Broad substrate specificity ATP-binding cassette transporter ABCG2
(Homo sapiens (Human)) | BDBM50239301
(CHEMBL4065492)Show SMILES FC(F)(F)c1cccc(Nc2nc(nc3ccccc23)-c2ccncc2)c1 Show InChI InChI=1S/C20H13F3N4/c21-20(22,23)14-4-3-5-15(12-14)25-19-16-6-1-2-7-17(16)26-18(27-19)13-8-10-24-11-9-13/h1-12H,(H,25,26,27) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2.80E+4 | n/a | n/a | 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) ATPase activity expressed in baculovirus infected high five cell membranes by ascorbic acid/ammonia molybdate re... |
J Med Chem 60: 4474-4495 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00441 BindingDB Entry DOI: 10.7270/Q2GT5Q9V |
More data for this Ligand-Target Pair | |