Ki Summary

Reaction Details

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Target

ATP-dependent translocase ABCB1

Ligand

BDBM50489319

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_934786 (CHEMBL2318920)

IC50

130±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

BDBM50489319

n/a

Name

BDBM50489319

Synonyms:

CHEMBL2316437

Type

Small organic molecule

Emp. Form.

C41H49NO9

Mol. Mass.

699.8291

SMILES

[H][C@]1(CC[C@@H](CC1)OC(=O)C#Cc1cc(OC)c(OC)c(OC)c1)N(C)[C@H]1CC[C@@H](CC1)OC(=O)C(c1ccc(OC)cc1)c1ccc(OC)cc1 |r,wU:26.27,1.0,wD:4.7,29.34,(15.09,-2.94,;15.11,-4.48,;15.11,-6.02,;13.78,-6.78,;12.45,-6.02,;12.45,-4.48,;13.78,-3.7,;11.12,-6.79,;9.78,-6.02,;9.78,-4.48,;8.45,-6.79,;7.11,-7.56,;5.78,-8.33,;4.46,-7.56,;3.12,-8.33,;1.79,-7.56,;1.79,-6.02,;3.12,-9.87,;1.79,-10.64,;.45,-9.87,;4.46,-10.64,;4.47,-12.18,;3.14,-12.95,;5.79,-9.87,;16.44,-3.71,;16.45,-2.17,;17.78,-4.48,;19.1,-3.73,;20.43,-4.51,;20.43,-6.05,;19.09,-6.81,;17.76,-6.04,;21.75,-6.83,;23.09,-6.07,;23.1,-4.53,;24.42,-6.85,;25.76,-6.09,;27.08,-6.87,;28.42,-6.11,;28.43,-4.57,;29.77,-3.8,;31.1,-4.58,;27.09,-3.79,;25.76,-4.55,;24.41,-8.39,;23.07,-9.14,;23.06,-10.68,;24.39,-11.46,;24.38,-13,;23.05,-13.76,;25.73,-10.69,;25.74,-9.16,)|

Structure