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Target
Rho-associated protein kinase 2
Ligand
BDBM510840
Substrate
n/a
Meas. Tech.
In Vitro Assay
IC50
18500±n/a nM
Citation
 Glunz, PW; Ladziata, V; De Lucca, I; Tora, GO; Maishal, TK; Tangirala, R; Thiyagarajan, K 5-membered and bicyclic heterocyclic amides as inhibitors of rock US Patent  US11078197 Publication Date 8/3/2021 
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:
BDBM510840
Synonyms:
4-({(aR)-6-[6-(2- hydroxy-2- methylpropoxy)pyrazolo [1,5-a]pyridine- 3-amido]spiro[3.3] heptan-2-yl}oxy)-2- phenyl-1,3-thiazole- 5-carboxamide | US11078197, Example 17 | US11673886, Example 17
Type:
Small organic molecule
Emp. Form.:
C29H31N5O5S
Mol. Mass.:
561.652
SMILES:
CC(C)(O)COc1ccc2c(cnn2c1)C(=O)N[C@H]1C[C@]2(C1)C[C@@H](C2)Oc1nc(sc1C(N)=O)-c1ccccc1 |r,wD:23.28,20.24,18.19,(10.13,4.48,;9.04,5.57,;9.44,7.06,;10.53,5.97,;7.53,5.25,;6.5,6.4,;5,6.08,;3.97,7.22,;2.46,6.9,;1.98,5.44,;.58,4.81,;.74,3.28,;2.25,2.96,;3.02,4.29,;4.52,4.61,;-.76,5.58,;-.76,7.12,;-2.09,4.81,;-2.09,3.27,;-3.18,2.18,;-2.09,1.09,;-1,2.18,;-1,0,;-2.09,-1.09,;-3.18,0,;-2.09,-2.63,;-3.5,-3.25,;-4.9,-2.63,;-5.93,-3.77,;-5.16,-5.1,;-3.66,-4.78,;-2.41,-5.69,;-1,-5.06,;-2.57,-7.22,;-7.47,-3.61,;-8.09,-2.2,;-9.62,-2.04,;-10.53,-3.29,;-9.9,-4.69,;-8.37,-4.86,)|
Structure:
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