Reaction Details |
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Target | ATP-dependent translocase ABCB1 |
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Ligand | BDBM22889 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_148001 (CHEMBL754159) |
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IC50 | >50000±n/a nM |
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Citation | Schwab, D; Fischer, H; Tabatabaei, A; Poli, S; Huwyler, J Comparison of in vitro P-glycoprotein screening assays: recommendations for their use in drug discovery. J Med Chem46:1716-25 (2003) [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: | ATP-binding cassette sub-family B member 1 | Abcb1 | Abcb1b | CD_antigen=CD243 | MDR1B_MOUSE | Mdr1 | Mdr1b | Multidrug resistance protein 1 | P-glycoprotein 1 | P-glycoprotein 1 and 3 (MDR1a/MDR1b) | Pgy1 | Pgy1-1 |
Type: | PROTEIN |
Mol. Mass.: | 141009.67 |
Organism: | Mus musculus |
Description: | ChEMBL_474396 |
Residue: | 1276 |
Sequence: | MEFEENLKGRADKNFSKMGKKSKKEKKEKKPAVGVFGMFRYADWLDKLCMILGTLAAIIH
GTLLPLLMLVFGNMTDSFTKAEASILPSITNQSGPNSTLIISNSSLEEEMAIYAYYYTGI
GAGVLIVAYIQVSLWCLAAGRQIHKIRQKFFHAIMNQEIGWFDVHDVGELNTRLTDDVSK
INDGIGDKIGMFFQSITTFLAGFIIGFISGWKLTLVILAVSPLIGLSSALWAKVLTSFTN
KELQAYAKAGAVAEEVLAAIRTVIAFGGQQKELERYNKNLEEAKNVGIKKAITASISIGI
AYLLVYASYALAFWYGTSLVLSNEYSIGEVLTVFFSILLGTFSIGHLAPNIEAFANARGA
AFEIFKIIDNEPSIDSFSTKGYKPDSIMGNLEFKNVHFNYPSRSEVQILKGLNLKVKSGQ
TVALVGNSGCGKSTTVQLMQRLYDPLEGVVSIDGQDIRTINVRYLREIIGVVSQEPVLFA
TTIAENIRYGREDVTMDEIEKAVKEANAYDFIMKLPHQFDTLVGERGAQLSGGQKQRIAI
ARALVRNPKILLLDEATSALDTESEAVVQAALDKAREGRTTIVIAHRLSTVRNADVIAGF
DGGVIVEQGNHDELMREKGIYFKLVMTQTRGNEIEPGNNAYGSQSDTDASELTSEESKSP
LIRRSIYRSVHRKQDQERRLSMKEAVDEDVPLVSFWRILNLNLSEWPYLLVGVLCAVING
CIQPVFAIVFSRIVGVFSRDDDHETKRQNCNLFSLFFLVMGLISFVTYFFQGFTFGKAGE
ILTKRVRYMVFKSMLRQDISWFDDHKNSTGSLTTRLASDASSVKGAMGARLAVVTQNVAN
LGTGVILSLVYGWQLTLLLVVIIPLIVLGGIIEMKLLSGQALKDKKQLEISGKIATEAIE
NFRTIVSLTREQKFETMYAQSLQVPYRNAMKKAHVFGITFSFTQAMMYFSYAACFRFGAY
LVAQQLMTFENVMLVFSAVVFGAMAAGNTSSFAPDYAKAKVSASHIIRIIEKTPEIDSYS
TEGLKPTLLEGNVKFNGVQFNYPTRPNIPVLQGLSLEVKKGQTLALVGSSGCGKSTVVQL
LERFYDPMAGSVFLDGKEIKQLNVQWLRAHLGIVSQEPILFDCSIAENIAYGDNSRAVSH
EEIVRAAKEANIHQFIDSLPDKYNTRVGDKGTQLSGGQKQRIAIARALVRQPHILLLDEA
TSALDTESEKVVQEALDKAREGRTCIVIAHRLSTIQNADLIVVIENGKVKEHGTHQQLLA
QKGIYFSMVQAGAKRS
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BDBM22889 |
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n/a |
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Name | BDBM22889 |
Synonyms: | (Cimetidine) N-Methyl-N''''-[2-(5-methyl-1H-imidazol-4-ylmethylsulfanyl)-ethyl]-guanidine,cyanide | (Cimetidine)N-methyl-N-[2-(5-methyl-1H-4-imidazolylmethylsulfanyl)ethyl]cyanomethyliminomethanediamine | (cimetidine) N-methyl-N-[2-(5-methyl-1H-4-imidazolylmethylsulfanyl)ethyl]cyanoiminomethanediamine | 1-cyano-2-methyl-3-(2-((5-methyl-1H-imidazol-4-yl)methylthio)ethyl)guanidine | 1-cyano-2-methyl-3-(2-{[(5-methyl-1H-imidazol-4-yl)methyl]sulfanyl}ethyl)guanidine | 2-Chloro-5-(1-hydroxy-3-oxo-2,3-dihydro-1H-isoindol-1-yl)-benzenesulfonamide(Cimetidine) | 2-Methyl-8-phenethyl-imidazo[1,2-a]pyridine-3-carboxylic acid methyl ester(cimetidine) | 2-methylamino-2-[2-(4-methyl-1H-5-imidazolylmethylsulfanyl)ethylamino]-(E)-1-imino cyanide | 2-methylamino-2-[2-(5-methyl-1H-4-imidazolylmethylsulfanyl)ethylamino]-(Z)-1-imino cyanide(cimetidine) | ; N''''''''-cyano-N-methyl-N''''-(2-(((5-methyl-1H-imidazol-4-yl)methyl)thio)-ethyl)guanidine | CHEMBL30 | Cimetidine | Eureceptor | N''''''''''''''''-cyano-N-methyl-N''''''''-(2-{[(5-methyl-1H-imidazol-4-yl)methyl]thio}ethyl)guanidine | N''''''''-cyano-N-methyl-N''''-(2-{[(5-methyl-1H-imidazol-4-yl)methyl]-lambda~4~-sulfanyl}ethyl)guanidine | N''''''''-cyano-N-methyl-N''''-(2-{[(5-methyl-1H-imidazol-4-yl)methyl]thio}ethyl)guanidine | N''''''''-cyano-N-methyl-N''''-(2-{[(5-methyl-1H-imidazol-4-yl)methyl]thio}ethyl)guanidine (Cimetidine) | N''''''''-cyano-N-methyl-N''''-(2-{[(5-methyl-1H-imidazol-4-yl)methyl]thio}ethyl)guanidine(cimetidine) | N''''''''-cyano-N-methyl-N''''-({[(5-methyl-1H-imidazol-4-yl)methyl]thio}methyl)guanidine(cimetidine) | N-Cyano-N''''-methyl-N''''''''-(2-(((5-methyl-1H-imidazol-4-yl) methyl)thio)ethyl)guanidine(Cimetidine) | N-Methyl-N''''-[2-(5-methyl-1H-imidazol-4-ylmethylsulfanyl)-ethyl]-N''''''''-Cyano-guanidine | N-Methyl-N''''-[2-(5-methyl-1H-imidazol-4-ylmethylsulfanyl)-ethyl]-N''''''''-cyano-guanidine(Cimetidine) | N-Methyl-N''''-[2-(5-methyl-1H-imidazol-4-ylmethylsulfanyl)-ethyl]-cyanoguanidine(cimetidine) | N-cyanomethyl-N''''-methyl-N''''''''-[2-(5-methyl-1H-imidazol-4-ylmethylsulfanyl)-ethyl]-guanidine ( Cimetidine) | N-methyl-N''''-cyano-N''''''''-[2-(5-methyl-1H-imidazol-4-ylmethylsulfanyl)-ethyl]-guanidine | N-methyl-N-[2-(5-methyl-1H-4-imidazolylmethylsulfanyl)ethyl]-1-cyanoiminomethanediamine | N-methyl-N-[2-(5-methyl-1H-4-imidazolylmethylsulfanyl)ethyl]cyanoiminomethanediamine (cimetidine) | N-methyl-N-[2-(5-methyl-1H-4-imidazolylmethylsulfanyl)ethyl]imino(-N-cyano)methanediaminem | N-tert-Butyl-N''''-[4-(1H-imidazol-4-yl)-phenyl]-formamidine(cimetidine) | Tagamet | Tagamet HB | Tagamet hb 200 | cemitidine |
Type | Small organic molecule |
Emp. Form. | C10H16N6S |
Mol. Mass. | 252.339 |
SMILES | CNC(NC#N)=NCCSCc1[nH]cnc1C |w:6.6| |
Structure |
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