Ki Summary

Reaction Details

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Target

ATP-dependent translocase ABCB1

Ligand

BDBM50489301

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_934786 (CHEMBL2318920)

IC50

290±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

BDBM50489301

n/a

Name

BDBM50489301

Synonyms:

CHEMBL2316444

Type

Small organic molecule

Emp. Form.

C39H43NO7

Mol. Mass.

637.7612

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)C1c2ccccc2-c2ccccc12 |r,wU:26.27,4.7,29.34,1.0,(53.54,-10.33,;53.56,-11.87,;52.23,-11.09,;50.9,-11.87,;50.9,-13.41,;52.23,-14.17,;53.56,-13.41,;49.56,-14.18,;48.23,-13.42,;48.23,-11.87,;46.9,-14.19,;45.56,-14.97,;44.23,-15.74,;42.9,-14.98,;41.57,-15.75,;40.24,-14.99,;40.23,-13.45,;41.58,-17.29,;40.25,-18.07,;38.91,-17.31,;42.93,-18.06,;42.94,-19.6,;41.62,-20.38,;44.25,-17.28,;54.89,-11.1,;54.9,-9.56,;56.23,-11.88,;56.21,-13.43,;57.54,-14.2,;58.88,-13.44,;58.88,-11.9,;57.55,-11.12,;60.21,-14.22,;61.54,-13.46,;61.56,-11.92,;62.87,-14.24,;64.29,-13.62,;64.77,-12.17,;66.27,-11.86,;67.3,-13.01,;66.81,-14.46,;65.31,-14.77,;64.53,-16.1,;65,-17.56,;63.97,-18.69,;62.46,-18.36,;62,-16.9,;63.04,-15.77,)|

Structure