Ki Summary

Reaction Details

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Target

ATP-dependent translocase ABCB1

Ligand

BDBM50185982

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_352380 (CHEMBL861081)

IC50

7500±n/a nM

Citation

Richter, M; Molnár, J; Hilgeroth, A Biological evaluation of bishydroxymethyl-substituted cage dimeric 1,4-dihydropyridines as a novel class of p-glycoprotein modulating agents in cancer cells. J Med Chem49:2838-40 (2006) [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

BDBM50185982

n/a

Name

BDBM50185982

Synonyms:

1,7-dihydroxymethyl-3,9-dimethyl-6,12-diphenyl-3,9-diazahexacyclo[6.4.0.0 2.7.0 4.11.0. 5.10]dodecane | CHEMBL427029

Type

Small organic molecule

Emp. Form.

C26H30N2O2

Mol. Mass.

402.5286

SMILES

CN1C2C3C4N(C)C5C(C1[C@@]5(CO)[C@H]3c1ccccc1)[C@@H](c1ccccc1)[C@]24CO |wU:27.34,20.24,wD:13.16,10.12,TLB:28:27:5:13.3.10,21:20:5:13.3.10,11:10:5:27.20.8,14:13:5:27.20.8,THB:21:20:5.4.7:2.1.9,2:27:5:13.3.10,2:3:5:27.20.8,9:8:5:13.3.10,9:10:5:27.20.8,(-.14,3.33,;-1.68,3.47,;-2.51,2.18,;-4.04,2.24,;-5.06,1.27,;-5.77,2.64,;-7.3,2.7,;-4.94,3.94,;-3.4,3.86,;-2.28,4.9,;-3.92,4.91,;-3.79,6.45,;-2.4,7.1,;-4.75,3.61,;-6.14,4.29,;-6.24,5.84,;-7.63,6.52,;-8.91,5.66,;-8.8,4.11,;-7.41,3.43,;-2.7,2.49,;-1.32,1.82,;-1.33,.28,;-.01,-.49,;1.32,.27,;1.33,1.81,;0,2.58,;-3.53,1.2,;-2.37,.2,;-2.66,-1.32,)|

Structure