Reaction Details |
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Target | ATP-dependent translocase ABCB1 |
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Ligand | BDBM50585813 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_2164041 (CHEMBL5048902) |
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IC50 | 55000±n/a nM |
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Citation | Shi, Y; Wang, Y; Meng, W; Brigance, RP; Ryono, DE; Bolton, S; Zhang, H; Chen, S; Smirk, R; Tao, S; Tino, JA; Williams, KN; Sulsky, R; Nielsen, L; Ellsworth, B; Wong, MKY; Sun, JH; Leith, LW; Sun, D; Wu, DR; Gupta, A; Rampulla, R; Mathur, A; Chen, BC; Wang, A; Fuentes-Catanio, HG; Kunselman, L; Cap, M; Zalaznick, J; Ma, X; Liu, H; Taylor, JR; Zebo, R; Jones, B; Kalinowski, S; Swartz, J; Staal, A; O'Malley, K; Kopcho, L; Muckelbauer, JK; Krystek, SR; Spronk, SA; Marcinkeviciene, J; Everlof, G; Chen, XQ; Xu, C; Li, YX; Langish, RA; Yang, Y; Wang, Q; Behnia, K; Fura, A; Janovitz, EB; Pannacciulli, N; Griffen, S; Zinker, BA; Krupinski, J; Kirby, M; Whaley, J; Zahler, R; Barrish, JC; Robl, JA; Cheng, PTW Discovery of a Partial Glucokinase Activator Clinical Candidate: Diethyl ((3-(3-((5-(Azetidine-1-carbonyl)pyrazin-2-yl)oxy)-5-isopropoxybenzamido)-1 J Med Chem65:4291-4317 (2022) [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: | ABCB1 | MDR1 | MDR1_HUMAN | Multidrug Resistance Transporter MDR 1 | Multidrug resistance protein 1 | Multidrug resistance protein 1/Multidrug resistance associated protein 1 | P-glycoprotein (P-gp) | P-glycoprotein 1 | PGY1 |
Type: | Protein |
Mol. Mass.: | 141503.50 |
Organism: | Homo sapiens (Human) |
Description: | P08183 |
Residue: | 1280 |
Sequence: | MDLEGDRNGGAKKKNFFKLNNKSEKDKKEKKPTVSVFSMFRYSNWLDKLYMVVGTLAAII
HGAGLPLMMLVFGEMTDIFANAGNLEDLMSNITNRSDINDTGFFMNLEEDMTRYAYYYSG
IGAGVLVAAYIQVSFWCLAAGRQIHKIRKQFFHAIMRQEIGWFDVHDVGELNTRLTDDVS
KINEGIGDKIGMFFQSMATFFTGFIVGFTRGWKLTLVILAISPVLGLSAAVWAKILSSFT
DKELLAYAKAGAVAEEVLAAIRTVIAFGGQKKELERYNKNLEEAKRIGIKKAITANISIG
AAFLLIYASYALAFWYGTTLVLSGEYSIGQVLTVFFSVLIGAFSVGQASPSIEAFANARG
AAYEIFKIIDNKPSIDSYSKSGHKPDNIKGNLEFRNVHFSYPSRKEVKILKGLNLKVQSG
QTVALVGNSGCGKSTTVQLMQRLYDPTEGMVSVDGQDIRTINVRFLREIIGVVSQEPVLF
ATTIAENIRYGRENVTMDEIEKAVKEANAYDFIMKLPHKFDTLVGERGAQLSGGQKQRIA
IARALVRNPKILLLDEATSALDTESEAVVQVALDKARKGRTTIVIAHRLSTVRNADVIAG
FDDGVIVEKGNHDELMKEKGIYFKLVTMQTAGNEVELENAADESKSEIDALEMSSNDSRS
SLIRKRSTRRSVRGSQAQDRKLSTKEALDESIPPVSFWRIMKLNLTEWPYFVVGVFCAII
NGGLQPAFAIIFSKIIGVFTRIDDPETKRQNSNLFSLLFLALGIISFITFFLQGFTFGKA
GEILTKRLRYMVFRSMLRQDVSWFDDPKNTTGALTTRLANDAAQVKGAIGSRLAVITQNI
ANLGTGIIISFIYGWQLTLLLLAIVPIIAIAGVVEMKMLSGQALKDKKELEGSGKIATEA
IENFRTVVSLTQEQKFEHMYAQSLQVPYRNSLRKAHIFGITFSFTQAMMYFSYAGCFRFG
AYLVAHKLMSFEDVLLVFSAVVFGAMAVGQVSSFAPDYAKAKISAAHIIMIIEKTPLIDS
YSTEGLMPNTLEGNVTFGEVVFNYPTRPDIPVLQGLSLEVKKGQTLALVGSSGCGKSTVV
QLLERFYDPLAGKVLLDGKEIKRLNVQWLRAHLGIVSQEPILFDCSIAENIAYGDNSRVV
SQEEIVRAAKEANIHAFIESLPNKYSTKVGDKGTQLSGGQKQRIAIARALVRQPHILLLD
EATSALDTESEKVVQEALDKAREGRTCIVIAHRLSTIQNADLIVVFQNGRVKEHGTHQQL
LAQKGIYFSMVSVQAGTKRQ
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BDBM50585813 |
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n/a |
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Name | BDBM50585813 |
Synonyms: | CHEMBL5072532 |
Type | Small organic molecule |
Emp. Form. | C26H33N6O7P |
Mol. Mass. | 572.55 |
SMILES | CCOP(=O)(Cn1ccc(NC(=O)c2cc(OC(C)C)cc(Oc3cnc(cn3)C(=O)N3CCC3)c2)n1)OCC |
Structure |
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