Ki Summary

Reaction Details

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Target

ATP-dependent translocase ABCB1

Ligand

BDBM50489325

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_934786 (CHEMBL2318920)

IC50

30±n/a nM

Citation

Orlandi, F; Coronnello, M; Bellucci, C; Dei, S; Guandalini, L; Manetti, D; Martelli, C; Romanelli, MN; Scapecchi, S; Salerno, M; Menif, H; Bello, I; Mini, E; Teodori, E New structure-activity relationship studies in a series of N,N-bis(cyclohexanol)amine aryl esters as potent reversers of P-glycoprotein-mediated multidrug resistance (MDR). Bioorg Med Chem21:456-65 (2013) [PubMed] Article

More Info.:

Get all data from this article, Assay Method

ATP-dependent translocase ABCB1

Name:

ATP-dependent translocase ABCB1

Synonyms:

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

BDBM50489325

n/a

Name

BDBM50489325

Synonyms:

CHEMBL2316161

Type

Small organic molecule

Emp. Form.

C35H47NO10

Mol. Mass.

641.7484

SMILES

[H][C@]1(CC[C@@H](CC1)OC(=O)c1cc(OC)c(OC)c(OC)c1)N(C)[C@@H]1CC[C@@H](CC1)OC(=O)\C=C\c1cc(OC)c(OC)c(OC)c1 |r,wU:24.25,27.32,1.0,wD:4.7,(16.82,-12.52,;16.84,-14.06,;16.84,-15.6,;15.51,-16.37,;14.18,-15.6,;14.18,-14.06,;15.51,-13.29,;12.85,-16.38,;11.51,-15.61,;11.51,-14.07,;10.18,-16.38,;8.85,-15.61,;7.52,-16.38,;6.18,-15.61,;6.18,-14.07,;7.52,-17.92,;6.19,-18.7,;4.86,-17.93,;8.86,-18.69,;8.87,-20.23,;7.54,-21.01,;10.19,-17.92,;18.17,-13.3,;18.18,-11.76,;19.51,-14.07,;19.49,-15.62,;20.81,-16.4,;22.16,-15.64,;22.16,-14.09,;20.83,-13.31,;23.48,-16.42,;24.82,-15.65,;24.83,-14.11,;26.15,-16.43,;27.49,-15.67,;28.82,-16.45,;30.15,-15.68,;31.48,-16.46,;32.81,-15.69,;34.14,-16.46,;31.47,-18,;32.8,-18.78,;32.79,-20.32,;30.13,-18.76,;30.12,-20.3,;28.78,-21.07,;28.8,-17.99,)|

Structure