Ki Summary

Reaction Details

Report a problem with these data

Target

Plasma kallikrein

Ligand

BDBM303809

Substrate/Competitor

n/a

Meas. Tech.

Determination of the Plasma Kallikrein Activity

IC50

250±n/a nM

Citation

Röhrig, S; Hillisch, A; Heitmeier, S; Schmidt, MV; Schlemmer, K; Tersteegen, A; Schäfer, M; Teller, H; Jimènez Nùnez, E Factor xia-inhibiting pyridobenzazepine and pyridobenzazocine derivatives US Patent US10138236 Publication Date 11/27/2018

More Info.:

Get all data from this article, Assay Method

Plasma kallikrein

Name:

Plasma kallikrein

Synonyms:

Type:

Protein

Mol. Mass.:

71391.16

Organism:

Homo sapiens (Human)

Description:

P03952

Residue:

638

Sequence:

MILFKQATYFISLFATVSCGCLTQLYENAFFRGGDVASMYTPNAQYCQMRCTFHPRCLLF
SFLPASSINDMEKRFGCFLKDSVTGTLPKVHRTGAVSGHSLKQCGHQISACHRDIYKGVD
MRGVNFNVSKVSSVEECQKRCTSNIRCQFFSYATQTFHKAEYRNNCLLKYSPGGTPTAIK
VLSNVESGFSLKPCALSEIGCHMNIFQHLAFSDVDVARVLTPDAFVCRTICTYHPNCLFF
TFYTNVWKIESQRNVCLLKTSESGTPSSSTPQENTISGYSLLTCKRTLPEPCHSKIYPGV
DFGGEELNVTFVKGVNVCQETCTKMIRCQFFTYSLLPEDCKEEKCKCFLRLSMDGSPTRI
AYGTQGSSGYSLRLCNTGDNSVCTTKTSTRIVGGTNSSWGEWPWQVSLQVKLTAQRHLCG
GSLIGHQWVLTAAHCFDGLPLQDVWRIYSGILNLSDITKDTPFSQIKEIIIHQNYKVSEG
NHDIALIKLQAPLNYTEFQKPICLPSKGDTSTIYTNCWVTGWGFSKEKGEIQNILQKVNI
PLVTNEECQKRYQDYKITQRMVCAGYKEGGKDACKGDSGGPLVCKHNGMWRLVGITSWGE
GCARREQPGVYTKVAEYMDWILEKTQSSDGKAQMQSPA

BDBM303809

n/a

Name

BDBM303809

Synonyms:

2-(11′-Chloro-2′,5′-dioxo-2′,5′,6′,8′-tetrahydro-3′H-spiro[cyclopropane-1,7′-pyrido[3,4-e][3]benzazocine]-3′-yl)-3-(trans-4-methoxycyclohexyl)-N-(2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)propanamide (Stereoisomer Mixture) | US10138236, Example 27

Type

Small organic molecule

Emp. Form.

C33H34ClN5O5

Mol. Mass.

616.107

SMILES

CO[C@H]1CC[C@H](CC(C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)n2cc3c(cc2=O)-c2cc(Cl)ccc2CC2(CC2)NC3=O)CC1 |r,wU:2.1,wD:5.5,$;;;;;;;;;;HN;;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;HN;;;;$,(6.03,5.01,;4.69,5.78,;3.36,5,;3.36,3.46,;2.03,2.7,;.69,3.46,;-.64,2.69,;-.64,1.15,;.69,.38,;.69,-1.16,;2.03,1.15,;3.36,.38,;3.36,-1.16,;4.69,-1.93,;6.03,-1.16,;7.49,-1.63,;8.4,-.39,;9.94,-.39,;7.49,.86,;6.03,.38,;4.69,1.15,;-1.97,.38,;-3.31,1.15,;-4.64,.38,;-4.64,-1.16,;-3.31,-1.93,;-1.97,-1.16,;-.64,-1.93,;-5.98,-1.93,;-5.98,-3.47,;-7.31,-4.24,;-7.31,-5.78,;-8.64,-3.47,;-8.64,-1.93,;-7.31,-1.16,;-8.4,-.07,;-8.4,1.47,;-9.94,1.47,;-9.17,2.81,;-7.06,2.24,;-5.04,1.87,;-4.27,3.21,;.69,5,;2.03,5.77,)|

Structure