Ki Summary

Reaction Details

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Target

Cyclin-dependent kinase 12

Ligand

BDBM50367957

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_1735959 (CHEMBL4151495)

IC50

44±n/a nM

Citation

Ito, M; Tanaka, T; Toita, A; Uchiyama, N; Kokubo, H; Morishita, N; Klein, MG; Zou, H; Murakami, M; Kondo, M; Sameshima, T; Araki, S; Endo, S; Kawamoto, T; Morin, GB; Aparicio, SA; Nakanishi, A; Maezaki, H; Imaeda, Y Discovery of 3-Benzyl-1-( trans-4-((5-cyanopyridin-2-yl)amino)cyclohexyl)-1-arylurea Derivatives as Novel and Selective Cyclin-Dependent Kinase 12 (CDK12) Inhibitors. J Med Chem61:7710-7728 (2018) [PubMed] Article

More Info.:

Get all data from this article, Assay Method

Cyclin-dependent kinase 12

Name:

Cyclin-dependent kinase 12

Synonyms:

Type:

PROTEIN

Mol. Mass.:

164218.64

Organism:

Homo sapiens

Description:

ChEMBL_117739

Residue:

1490

Sequence:

MPNSERHGGKKDGSGGASGTLQPSSGGGSSNSRERHRLVSKHKRHKSKHSKDMGLVTPEA
ASLGTVIKPLVEYDDISSDSDTFSDDMAFKLDRRENDERRGSDRSDRLHKHRHHQHRRSR
DLLKAKQTEKEKSQEVSSKSGSMKDRISGSSKRSNEETDDYGKAQVAKSSSKESRSSKLH
KEKTRKERELKSGHKDRSKSHRKRETPKSYKTVDSPKRRSRSPHRKWSDSSKQDDSPSGA
SYGQDYDLSPSRSHTSSNYDSYKKSPGSTSRRQSVSPPYKEPSAYQSSTRSPSPYSRRQR
SVSPYSRRRSSSYERSGSYSGRSPSPYGRRRSSSPFLSKRSLSRSPLPSRKSMKSRSRSP
AYSRHSSSHSKKKRSSSRSRHSSISPVRLPLNSSLGAELSRKKKERAAAAAAAKMDGKES
KGSPVFLPRKENSSVEAKDSGLESKKLPRSVKLEKSAPDTELVNVTHLNTEVKNSSDTGK
VKLDENSEKHLVKDLKAQGTRDSKPIALKEEIVTPKETETSEKETPPPLPTIASPPPPLP
TTTPPPQTPPLPPLPPIPALPQQPPLPPSQPAFSQVPASSTSTLPPSTHSKTSAVSSQAN
SQPPVQVSVKTQVSVTAAIPHLKTSTLPPLPLPPLLPGDDDMDSPKETLPSKPVKKEKEQ
RTRHLLTDLPLPPELPGGDLSPPDSPEPKAITPPQQPYKKRPKICCPRYGERRQTESDWG
KRCVDKFDIIGIIGEGTYGQVYKAKDKDTGELVALKKVRLDNEKEGFPITAIREIKILRQ
LIHRSVVNMKEIVTDKQDALDFKKDKGAFYLVFEYMDHDLMGLLESGLVHFSEDHIKSFM
KQLMEGLEYCHKKNFLHRDIKCSNILLNNSGQIKLADFGLARLYNSEESRPYTNKVITLW
YRPPELLLGEERYTPAIDVWSCGCILGELFTKKPIFQANLELAQLELISRLCGSPCPAVW
PDVIKLPYFNTMKPKKQYRRRLREEFSFIPSAALDLLDHMLTLDPSKRCTAEQTLQSDFL
KDVELSKMAPPDLPHWQDCHELWSKKRRRQRQSGVVVEEPPPSKTSRKETTSGTSTEPVK
NSSPAPPQPAPGKVESGAGDAIGLADITQQLNQSELAVLLNLLQSQTDLSIPQMAQLLNI
HSNPEMQQQLEALNQSISALTEATSQQQDSETMAPEESLKEAPSAPVILPSAEQTTLEAS
STPADMQNILAVLLSQLMKTQEPAGSLEENNSDKNSGPQGPRRTPTMPQEEAAACPPHIL
PPEKRPPEPPGPPPPPPPPPLVEGDLSSAPQELNPAVTAALLQLLSQPEAEPPGHLPHEH
QALRPMEYSTRPRPNRTYGNTDGPETGFSAIDTDERNSGPALTESLVQTLVKNRTFSGSL
SHLGESSSYQGTGSVQFPGDQDLRFARVPLALHPVVGQPFLKAEGSSNSVVHAETKLQNY
GELGPGTTGASSSGAGLHWGGPTQSSAYGKLYRGPTRVPPRGGRGRGVPY

BDBM50367957

n/a

Name

BDBM50367957

Synonyms:

CHEMBL4174715

Type

Small organic molecule

Emp. Form.

C32H32N6O2

Mol. Mass.

532.6355

SMILES

Cn1ccc(cc1=O)-c1ccc(cc1)N([C@H]1CC[C@@H](CC1)Nc1ccc(cn1)C#N)C(=O)NCc1ccccc1 |r,wU:15.16,wD:18.23,(13.41,-28.38,;14.96,-28.38,;15.73,-29.72,;17.27,-29.72,;18.04,-28.38,;17.27,-27.05,;15.73,-27.05,;14.96,-25.71,;19.58,-28.38,;20.35,-29.72,;21.9,-29.72,;22.67,-28.38,;21.9,-27.05,;20.35,-27.05,;24.21,-28.38,;24.98,-27.05,;24.21,-25.71,;24.98,-24.38,;26.52,-24.38,;27.29,-25.71,;26.52,-27.05,;27.29,-23.04,;28.84,-23.04,;29.6,-21.71,;31.15,-21.71,;31.92,-23.04,;31.15,-24.38,;29.6,-24.38,;33.46,-23.04,;35.01,-23.04,;24.98,-29.72,;24.21,-31.05,;26.52,-29.72,;27.29,-31.05,;28.84,-31.05,;29.6,-29.72,;31.15,-29.72,;31.92,-31.05,;31.15,-32.38,;29.6,-32.38,)|

Structure