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Target
Rho-associated protein kinase 1
Ligand
BDBM50506361
Substrate
n/a
Meas. Tech.
ChEMBL_1825563 (CHEMBL4325327)
IC50
460±n/a nM
Citation
 Kurasawa, O; Miyazaki, T; Homma, M; Oguro, Y; Imada, T; Uchiyama, N; Iwai, K; Yamamoto, Y; Ohori, M; Hara, H; Sugimoto, H; Iwata, K; Skene, R; Hoffman, I; Ohashi, A; Nomura, T; Cho, N Discovery of a Novel, Highly Potent, and Selective Thieno[3,2- J Med Chem 63:1084-1104 (2020) [PubMed]  Article 
Target
Name:
Rho-associated protein kinase 1
Synonyms:
ROCK-I | ROCK1 | ROCK1_HUMAN | Renal carcinoma antigen NY-REN-35 | Rho-associated protein kinase | Rho-associated protein kinase 1 (ROCK1) | Rho-associated, coiled-coil-containing protein kinase 1 | Rho-associated, coiled-coil-containing protein kinase I | Rho-kinase (ROCK I) | Serine/threonine-protein kinase RIO1 | p160 ROCK-1 | p160ROCK
Type:
Serine/threonine-protein kinase
Mol. Mass.:
158156.77
Organism:
Homo sapiens (Human)
Description:
Q13464
Residue:
1354
Sequence:
MSTGDSFETRFEKMDNLLRDPKSEVNSDCLLDGLDALVYDLDFPALRKNKNIDNFLSRYKDTINKIRDLRMKAEDYEVVKVIGRGAFGEVQLVRHKSTRKVYAMKLLSKFEMIKRSDSAFFWEERDIMAFANSPWVVQLFYAFQDDRYLYMVMEYMPGGDLVNLMSNYDVPEKWARFYTAEVVLALDAIHSMGFIHRDVKPDNMLLDKSGHLKLADFGTCMKMNKEGMVRCDTAVGTPDYISPEVLKSQGGDGYYGRECDWWSVGVFLYEMLVGDTPFYADSLVGTYSKIMNHKNSLTFPDDNDISKEAKNLICAFLTDREVRLGRNGVEEIKRHLFFKNDQWAWETLRDTVAPVVPDLSSDIDTSNFDDLEEDKGEEETFPIPKAFVGNQLPFVGFTYYSNRRYLSSANPNDNRTSSNADKSLQESLQKTIYKLEEQLHNEMQLKDEMEQKCRTSNIKLDKIMKELDEEGNQRRNLESTVSQIEKEKMLLQHRINEYQRKAEQENEKRRNVENEVSTLKDQLEDLKKVSQNSQLANEKLSQLQKQLEEANDLLRTESDTAVRLRKSHTEMSKSISQLESLNRELQERNRILENSKSQTDKDYYQLQAILEAERRDRGHDSEMIGDLQARITSLQEEVKHLKHNLEKVEGERKEAQDMLNHSEKEKNNLEIDLNYKLKSLQQRLEQEVNEHKVTKARLTDKHQSIEEAKSVAMCEMEKKLKEEREAREKAENRVVQIEKQCSMLDVDLKQSQQKLEHLTGNKERMEDEVKNLTLQLEQESNKRLLLQNELKTQAFEADNLKGLEKQMKQEINTLLEAKRLLEFELAQLTKQYRGNEGQMRELQDQLEAEQYFSTLYKTQVKELKEEIEEKNRENLKKIQELQNEKETLATQLDLAETKAESEQLARGLLEEQYFELTQESKKAASRNRQEITDKDHTVSRLEEANSMLTKDIEILRRENEELTEKMKKAEEEYKLEKEEEISNLKAAFEKNINTERTLKTQAVNKLAEIMNRKDFKIDRKKANTQDLRKKEKENRKLQLELNQEREKFNQMVVKHQKELNDMQAQLVEECAHRNELQMQLASKESDIEQLRAKLLDLSDSTSVASFPSADETDGNLPESRIEGWLSVPNRGNIKRYGWKKQYVVVSSKKILFYNDEQDKEQSNPSMVLDIDKLFHVRPVTQGDVYRAETEEIPKIFQILYANEGECRKDVEMEPVQQAEKTNFQNHKGHEFIPTLYHFPANCDACAKPLWHVFKPPPALECRRCHVKCHRDHLDKKEDLICPCKVSYDVTSARDMLLLACSQDEQKKWVTHLVKKIPKNPPSGFVRASPRTLSTRSTANQSFRKVVKNTSGKTS
  
Inhibitor
Name:
BDBM50506361
Synonyms:
CHEMBL4572218
Type:
Small organic molecule
Emp. Form.:
C17H19N5OS
Mol. Mass.:
341.431
SMILES:
Cc1n[nH]cc1-c1cc2nc([nH]c(=O)c2s1)[C@H]1CC2CCN1CC2 |r,wU:16.18,(31.13,-24.46,;30.64,-23,;29.17,-22.53,;29.17,-20.98,;30.63,-20.5,;31.55,-21.74,;33.09,-21.72,;34,-22.97,;35.46,-22.48,;36.8,-23.25,;38.13,-22.48,;38.13,-20.94,;36.8,-20.16,;36.8,-18.62,;35.45,-20.94,;33.98,-20.47,;39.45,-23.25,;40.78,-22.49,;42.11,-23.26,;42.11,-24.8,;40.77,-25.56,;39.45,-24.79,;40.95,-24.54,;40.79,-23.43,)|
Structure:
Search PDB for entries with ligand similarity: