Reaction Details Report a problem with these data
Target
Rho-associated protein kinase 2
Ligand
BDBM50506954
Substrate
n/a
Meas. Tech.
ChEMBL_1828793 (CHEMBL4328667)
IC50
3.0±n/a nM
Citation
 Hobson, AD; Judge, RA; Aguirre, AL; Brown, BS; Cui, Y; Ding, P; Dominguez, E; DiGiammarino, E; Egan, DA; Freiberg, GM; Gopalakrishnan, SM; Harris, CM; Honore, MP; Kage, KL; Kapecki, NJ; Ling, C; Ma, J; Mack, H; Mamo, M; Maurus, S; McRae, B; Moore, NS; Mueller, BK; Mueller, R; Namovic, MT; Patel, K; Pratt, SD; Putman, CB; Queeney, KL; Sarris, KK; Schaffter, LM; Stoll, V; Vasudevan, A; Wang, L; Wang, L; Wirthl, W; Yach, K Identification of Selective Dual ROCK1 and ROCK2 Inhibitors Using Structure-Based Drug Design. J Med Chem 61:11074-11100 (2018) [PubMed]  Article 
Target
Name:
Rho-associated protein kinase 2
Synonyms:
KIAA0619 | ROCK-II | ROCK2 | ROCK2_HUMAN | Rho kinase 2 (ROCKII) | Rho-associated protein kinase 2 (ROCK-2) | Rho-associated protein kinase 2 (ROCK2) | Rho-associated protein kinase 2 (ROCKII) | Rho-associated protein kinase 2/Transforming protein RhoA | Rho-associated, coiled-coil-containing protein kinase 2 | Rho-associated, coiled-coil-containing protein kinase II | Serine/threonine-protein kinase RIO2 | p164 ROCK-2
Type:
Protein
Mol. Mass.:
160885.43
Organism:
Homo sapiens (Human)
Description:
O75116
Residue:
1388
Sequence:
MSRPPPTGKMPGAPETAPGDGAGASRQRKLEALIRDPRSPINVESLLDGLNSLVLDLDFPALRKNKNIDNFLNRYEKIVKKIRGLQMKAEDYDVVKVIGRGAFGEVQLVRHKASQKVYAMKLLSKFEMIKRSDSAFFWEERDIMAFANSPWVVQLFYAFQDDRYLYMVMEYMPGGDLVNLMSNYDVPEKWAKFYTAEVVLALDAIHSMGLIHRDVKPDNMLLDKHGHLKLADFGTCMKMDETGMVHCDTAVGTPDYISPEVLKSQGGDGFYGRECDWWSVGVFLYEMLVGDTPFYADSLVGTYSKIMDHKNSLCFPEDAEISKHAKNLICAFLTDREVRLGRNGVEEIRQHPFFKNDQWHWDNIRETAAPVVPELSSDIDSSNFDDIEDDKGDVETFPIPKAFVGNQLPFIGFTYYRENLLLSDSPSCRETDSIQSRKNEESQEIQKKLYTLEEHLSNEMQAKEELEQKCKSVNTRLEKTAKELEEEITLRKSVESALRQLEREKALLQHKNAEYQRKADHEADKKRNLENDVNSLKDQLEDLKKRNQNSQISTEKVNQLQRQLDETNALLRTESDTAARLRKTQAESSKQIQQLESNNRDLQDKNCLLETAKLKLEKEFINLQSALESERRDRTHGSEIINDLQGRICGLEEDLKNGKILLAKVELEKRQLQERFTDLEKEKSNMEIDMTYQLKVIQQSLEQEEAEHKATKARLADKNKIYESIEEAKSEAMKEMEKKLLEERTLKQKVENLLLEAEKRCSLLDCDLKQSQQKINELLKQKDVLNEDVRNLTLKIEQETQKRCLTQNDLKMQTQQVNTLKMSEKQLKQENNHLMEMKMNLEKQNAELRKERQDADGQMKELQDQLEAEQYFSTLYKTQVRELKEECEEKTKLGKELQQKKQELQDERDSLAAQLEITLTKADSEQLARSIAEEQYSDLEKEKIMKELEIKEMMARHKQELTEKDATIASLEETNRTLTSDVANLANEKEELNNKLKDVQEQLSRLKDEEISAAAIKAQFEKQLLTERTLKTQAVNKLAEIMNRKEPVKRGNDTDVRRKEKENRKLHMELKSEREKLTQQMIKYQKELNEMQAQIAEESQIRIELQMTLDSKDSDIEQLRSQLQALHIGLDSSSIGSGPGDAEADDGFPESRLEGWLSLPVRNNTKKFGWVKKYVIVSSKKILFYDSEQDKEQSNPYMVLDIDKLFHVRPVTQTDVYRADAKEIPRIFQILYANEGESKKEQEFPVEPVGEKSNYICHKGHEFIPTLYHFPTNCEACMKPLWHMFKPPPALECRRCHIKCHKDHMDKKEEIIAPCKVYYDISTAKNLLLLANSTEEQQKWVSRLVKKIPKKPPAPDPFARSSPRTSMKIQQNQSIRRPSRQLAPNKPS
  
Inhibitor
Name:
BDBM50506954
Synonyms:
CHEMBL4583341
Type:
Small organic molecule
Emp. Form.:
C26H29N3O2
Mol. Mass.:
415.5274
SMILES:
COc1cccc(c1)[C@@H](CCN1CCCC1)NC(=O)c1ccc(cc1)-c1ccncc1 |r|
Structure:
Search PDB for entries with ligand similarity: