Ki Summary

Reaction Details

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Target

ATP-dependent translocase ABCB1

Ligand

BDBM50489310

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_934786 (CHEMBL2318920)

IC50

75±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

BDBM50489310

n/a

Name

BDBM50489310

Synonyms:

CHEMBL2316434

Type

Small organic molecule

Emp. Form.

C39H45NO7

Mol. Mass.

639.7771

SMILES

[H][C@@]1(CC[C@@H](CC1)OC(=O)\C=C\c1cc(OC)c(OC)c(OC)c1)N(C)[C@H]1CC[C@@H](CC1)OC(=O)C1c2ccccc2-c2ccccc12 |r,wU:26.27,4.7,1.0,wD:29.34,(46.36,-1.75,;46.38,-3.29,;45.05,-2.51,;43.72,-3.29,;43.72,-4.83,;45.05,-5.59,;46.38,-4.83,;42.38,-5.6,;41.05,-4.83,;41.05,-3.29,;39.71,-5.6,;38.38,-4.84,;37.05,-5.61,;35.71,-4.84,;34.38,-5.61,;33.04,-4.84,;33.04,-3.3,;34.38,-7.15,;33.05,-7.92,;31.71,-7.16,;35.73,-7.92,;35.73,-9.46,;34.4,-10.24,;37.05,-7.14,;47.72,-2.52,;47.72,-.97,;49.05,-3.29,;50.37,-2.53,;51.71,-3.32,;51.7,-4.86,;50.36,-5.62,;49.03,-4.85,;53.03,-5.64,;54.37,-4.88,;54.38,-3.34,;55.65,-5.73,;57.09,-5.2,;57.66,-3.78,;59.17,-3.55,;60.13,-4.76,;59.56,-6.18,;58.04,-6.4,;57.2,-7.69,;57.58,-9.17,;56.48,-10.24,;54.99,-9.83,;54.62,-8.34,;55.71,-7.27,)|

Structure