Reaction Details |
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Target | ATP-dependent translocase ABCB1 |
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Ligand | BDBM50140838 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_148009 (CHEMBL751606) |
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IC50 | >1000±n/a nM |
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Citation | Wang, S; Wan, NC; Harrison, J; Miller, W; Chuckowree, I; Sohal, S; Hancox, TC; Baker, S; Folkes, A; Wilson, F; Thompson, D; Cocks, S; Farmer, H; Boyce, A; Freathy, C; Broadbridge, J; Scott, J; Depledge, P; Faint, R; Mistry, P; Charlton, P Design and synthesis of new templates derived from pyrrolopyrimidine as selective multidrug-resistance-associated protein inhibitors in multidrug resistance. J Med Chem47:1339-50 (2004) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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ATP-dependent translocase ABCB1 |
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Name: | ATP-dependent translocase ABCB1 |
Synonyms: | Abcb1a | Abcb4 | MDR1A_MOUSE | Mdr1a | Mdr3 | P-glycoprotein (P-gp) | P-glycoprotein 1 and 3 (MDR1a/MDR1b) | P-glycoprotein 3 | Pgy-3 | Pgy3 |
Type: | Protein |
Mol. Mass.: | 140669.02 |
Organism: | Mus musculus (Mouse) |
Description: | P21447 |
Residue: | 1276 |
Sequence: | MELEEDLKGRADKNFSKMGKKSKKEKKEKKPAVSVLTMFRYAGWLDRLYMLVGTLAAIIH
GVALPLMMLIFGDMTDSFASVGNVSKNSTNMSEADKRAMFAKLEEEMTTYAYYYTGIGAG
VLIVAYIQVSFWCLAAGRQIHKIRQKFFHAIMNQEIGWFDVHDVGELNTRLTDDVSKINE
GIGDKIGMFFQAMATFFGGFIIGFTRGWKLTLVILAISPVLGLSAGIWAKILSSFTDKEL
HAYAKAGAVAEEVLAAIRTVIAFGGQKKELERYNNNLEEAKRLGIKKAITANISMGAAFL
LIYASYALAFWYGTSLVISKEYSIGQVLTVFFSVLIGAFSVGQASPNIEAFANARGAAYE
VFKIIDNKPSIDSFSKSGHKPDNIQGNLEFKNIHFSYPSRKEVQILKGLNLKVKSGQTVA
LVGNSGCGKSTTVQLMQRLYDPLDGMVSIDGQDIRTINVRYLREIIGVVSQEPVLFATTI
AENIRYGREDVTMDEIEKAVKEANAYDFIMKLPHQFDTLVGERGAQLSGGQKQRIAIARA
LVRNPKILLLDEATSALDTESEAVVQAALDKAREGRTTIVIAHRLSTVRNADVIAGFDGG
VIVEQGNHDELMREKGIYFKLVMTQTAGNEIELGNEACKSKDEIDNLDMSSKDSGSSLIR
RRSTRKSICGPHDQDRKLSTKEALDEDVPPASFWRILKLNSTEWPYFVVGIFCAIINGGL
QPAFSVIFSKVVGVFTNGGPPETQRQNSNLFSLLFLILGIISFITFFLQGFTFGKAGEIL
TKRLRYMVFKSMLRQDVSWFDDPKNTTGALTTRLANDAAQVKGATGSRLAVIFQNIANLG
TGIIISLIYGWQLTLLLLAIVPIIAIAGVVEMKMLSGQALKDKKELEGSGKIATEAIENF
RTVVSLTREQKFETMYAQSLQIPYRNAMKKAHVFGITFSFTQAMMYFSYAACFRFGAYLV
TQQLMTFENVLLVFSAIVFGAMAVGQVSSFAPDYAKATVSASHIIRIIEKTPEIDSYSTQ
GLKPNMLEGNVQFSGVVFNYPTRPSIPVLQGLSLEVKKGQTLALVGSSGCGKSTVVQLLE
RFYDPMAGSVFLDGKEIKQLNVQWLRAQLGIVSQEPILFDCSIAENIAYGDNSRVVSYEE
IVRAAKEANIHQFIDSLPDKYNTRVGDKGTQLSGGQKQRIAIARALVRQPHILLLDEATS
ALDTESEKVVQEALDKAREGRTCIVIAHRLSTIQNADLIVVIQNGKVKEHGTHQQLLAQK
GIYFSMVSVQAGAKRS
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BDBM50140838 |
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n/a |
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Name | BDBM50140838 |
Synonyms: | 9-Chloro-4-{4-[2-(3,4-difluoro-phenyl)-ethyl]-piperazin-1-yl}-5H-pyrimido[5,4-b]indole | CHEMBL28584 |
Type | Small organic molecule |
Emp. Form. | C22H20ClF2N5 |
Mol. Mass. | 427.878 |
SMILES | Fc1ccc(CCN2CCN(CC2)c2ncnc3c2[nH]c2cccc(Cl)c32)cc1F |
Structure |
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