Ki Summary

Reaction Details

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Target

Bromodomain-containing protein 3

Ligand

BDBM50397665

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_873615 (CHEMBL2187904)

IC50

630.96±n/a nM

Citation

Seal, J; Lamotte, Y; Donche, F; Bouillot, A; Mirguet, O; Gellibert, F; Nicodeme, E; Krysa, G; Kirilovsky, J; Beinke, S; McCleary, S; Rioja, I; Bamborough, P; Chung, CW; Gordon, L; Lewis, T; Walker, AL; Cutler, L; Lugo, D; Wilson, DM; Witherington, J; Lee, K; Prinjha, RK Identification of a novel series of BET family bromodomain inhibitors: binding mode and profile of I-BET151 (GSK1210151A). Bioorg Med Chem Lett22:2968-72 (2012) [PubMed] Article

More Info.:

Get all data from this article, Assay Method

Bromodomain-containing protein 3

Name:

Bromodomain-containing protein 3

Synonyms:

Type:

Protein

Mol. Mass.:

79571.81

Organism:

Homo sapiens (Human)

Description:

Q15059

Residue:

726

Sequence:

MSTATTVAPAGIPATPGPVNPPPPEVSNPSKPGRKTNQLQYMQNVVVKTLWKHQFAWPFY
QPVDAIKLNLPDYHKIIKNPMDMGTIKKRLENNYYWSASECMQDFNTMFTNCYIYNKPTD
DIVLMAQALEKIFLQKVAQMPQEEVELLPPAPKGKGRKPAAGAQSAGTQQVAAVSSVSPA
TPFQSVPPTVSQTPVIAATPVPTITANVTSVPVPPAAAPPPPATPIVPVVPPTPPVVKKK
GVKRKADTTTPTTSAITASRSESPPPLSDPKQAKVVARRESGGRPIKPPKKDLEDGEVPQ
HAGKKGKLSEHLRYCDSILREMLSKKHAAYAWPFYKPVDAEALELHDYHDIIKHPMDLST
VKRKMDGREYPDAQGFAADVRLMFSNCYKYNPPDHEVVAMARKLQDVFEMRFAKMPDEPV
EAPALPAPAAPMVSKGAESSRSSEESSSDSGSSDSEEERATRLAELQEQLKAVHEQLAAL
SQAPVNKPKKKKEKKEKEKKKKDKEKEKEKHKVKAEEEKKAKVAPPAKQAQQKKAPAKKA
NSTTTAGRQLKKGGKQASASYDSEEEEEGLPMSYDEKRQLSLDINRLPGEKLGRVVHIIQ
SREPSLRDSNPDEIEIDFETLKPTTLRELERYVKSCLQKKQRKPFSASGKKQAAKSKEEL
AQEKKKELEKRLQDVSGQLSSSKKPARKEKPGSAPSGGPSRLSSSSSSESGSSSSSGSSS
DSSDSE

BDBM50397665

n/a

Name

BDBM50397665

Synonyms:

CHEMBL2017282

Type

Small organic molecule

Emp. Form.

C22H17FN4O3

Mol. Mass.

404.3938

SMILES

COc1cc2c3n(-c4ccccc4F)c(=O)[nH]c3cnc2cc1-c1c(C)noc1C |(-6.72,-26.5,;-6.72,-28.04,;-5.38,-28.81,;-4.06,-28.04,;-2.72,-28.8,;-1.39,-28.03,;-1.09,-26.53,;-1.86,-25.19,;-3.39,-25.2,;-4.17,-23.88,;-3.4,-22.53,;-1.85,-22.53,;-1.09,-23.87,;.45,-23.87,;.43,-26.35,;1.19,-25.01,;1.07,-27.75,;-.06,-28.78,;-.05,-30.34,;-1.38,-31.11,;-2.72,-30.35,;-4.05,-31.12,;-5.39,-30.35,;-6.72,-31.12,;-6.76,-32.66,;-5.53,-33.6,;-8.23,-33.11,;-9.11,-31.85,;-8.18,-30.62,;-8.63,-29.15,)|

Structure