Ki Summary

Reaction Details

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Target

ATP-dependent translocase ABCB1

Ligand

BDBM50489303

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_934786 (CHEMBL2318920)

IC50

120±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

BDBM50489303

n/a

Name

BDBM50489303

Synonyms:

CHEMBL2316441

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:26.27,1.0,wD:4.7,29.34,(20.82,-1.29,;20.84,-2.83,;20.84,-4.37,;19.51,-5.13,;18.18,-4.37,;18.18,-2.83,;19.51,-2.05,;16.84,-5.14,;15.51,-4.37,;15.51,-2.83,;14.18,-5.15,;12.84,-5.93,;11.51,-6.7,;10.18,-5.93,;8.85,-6.71,;7.52,-5.95,;7.51,-4.41,;8.86,-8.25,;7.53,-9.03,;6.19,-8.27,;10.21,-9.02,;10.22,-10.56,;8.9,-11.34,;11.53,-8.23,;22.17,-2.06,;22.18,-.52,;23.51,-2.84,;24.83,-2.08,;26.17,-2.86,;26.16,-4.4,;24.82,-5.16,;23.49,-4.39,;27.49,-5.18,;28.83,-4.42,;28.84,-2.88,;30.15,-5.2,;31.57,-4.58,;32.05,-3.13,;33.55,-2.81,;34.58,-3.96,;34.09,-5.42,;32.59,-5.73,;31.82,-7.06,;32.28,-8.52,;31.25,-9.65,;29.74,-9.32,;29.28,-7.85,;30.32,-6.73,)|

Structure