| Reaction Details |
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 | Report a problem with these data |
| Target | Rho-associated protein kinase 2 |
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| Ligand | BDBM50604140 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_2247050 (CHEMBL5161260) |
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| IC50 | 1100±n/a nM |
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| Citation |  Luo, G; Chen, L; Kostich, WA; Hamman, B; Allen, J; Easton, A; Bourin, C; Gulianello, M; Lippy, J; Nara, S; Pattipati, SN; Dandapani, K; Dokania, M; Vattikundala, P; Sharma, V; Elavazhagan, S; Verma, MK; Lal Das, M; Wagh, S; Balakrishnan, A; Johnson, BM; Santone, KS; Thalody, G; Denton, R; Saminathan, H; Holenarsipur, VK; Kumar, A; Rao, A; Putlur, SP; Sarvasiddhi, SK; Shankar, G; Louis, JV; Ramarao, M; Conway, CM; Li, YW; Pieschl, R; Tian, Y; Hong, Y; Bristow, L; Albright, CF; Bronson, JJ; Macor, JE; Dzierba, CD Discovery and Optimization of Biaryl Alkyl Ethers as a Novel Class of Highly Selective, CNS-Penetrable, and Orally Active Adaptor Protein-2-Associated Kinase 1 (AAK1) Inhibitors for the Potential Treatment of Neuropathic Pain. J Med Chem65:4534-4564 (2022) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Rho-associated protein kinase 2 |
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| Name: | Rho-associated protein kinase 2 |
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| 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 |
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| Type: | Protein |
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| Mol. Mass.: | 160885.43 |
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| Organism: | Homo sapiens (Human) |
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| Description: | O75116 |
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| Residue: | 1388 |
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| Sequence: | MSRPPPTGKMPGAPETAPGDGAGASRQRKLEALIRDPRSPINVESLLDGLNSLVLDLDFP
ALRKNKNIDNFLNRYEKIVKKIRGLQMKAEDYDVVKVIGRGAFGEVQLVRHKASQKVYAM
KLLSKFEMIKRSDSAFFWEERDIMAFANSPWVVQLFYAFQDDRYLYMVMEYMPGGDLVNL
MSNYDVPEKWAKFYTAEVVLALDAIHSMGLIHRDVKPDNMLLDKHGHLKLADFGTCMKMD
ETGMVHCDTAVGTPDYISPEVLKSQGGDGFYGRECDWWSVGVFLYEMLVGDTPFYADSLV
GTYSKIMDHKNSLCFPEDAEISKHAKNLICAFLTDREVRLGRNGVEEIRQHPFFKNDQWH
WDNIRETAAPVVPELSSDIDSSNFDDIEDDKGDVETFPIPKAFVGNQLPFIGFTYYRENL
LLSDSPSCRETDSIQSRKNEESQEIQKKLYTLEEHLSNEMQAKEELEQKCKSVNTRLEKT
AKELEEEITLRKSVESALRQLEREKALLQHKNAEYQRKADHEADKKRNLENDVNSLKDQL
EDLKKRNQNSQISTEKVNQLQRQLDETNALLRTESDTAARLRKTQAESSKQIQQLESNNR
DLQDKNCLLETAKLKLEKEFINLQSALESERRDRTHGSEIINDLQGRICGLEEDLKNGKI
LLAKVELEKRQLQERFTDLEKEKSNMEIDMTYQLKVIQQSLEQEEAEHKATKARLADKNK
IYESIEEAKSEAMKEMEKKLLEERTLKQKVENLLLEAEKRCSLLDCDLKQSQQKINELLK
QKDVLNEDVRNLTLKIEQETQKRCLTQNDLKMQTQQVNTLKMSEKQLKQENNHLMEMKMN
LEKQNAELRKERQDADGQMKELQDQLEAEQYFSTLYKTQVRELKEECEEKTKLGKELQQK
KQELQDERDSLAAQLEITLTKADSEQLARSIAEEQYSDLEKEKIMKELEIKEMMARHKQE
LTEKDATIASLEETNRTLTSDVANLANEKEELNNKLKDVQEQLSRLKDEEISAAAIKAQF
EKQLLTERTLKTQAVNKLAEIMNRKEPVKRGNDTDVRRKEKENRKLHMELKSEREKLTQQ
MIKYQKELNEMQAQIAEESQIRIELQMTLDSKDSDIEQLRSQLQALHIGLDSSSIGSGPG
DAEADDGFPESRLEGWLSLPVRNNTKKFGWVKKYVIVSSKKILFYDSEQDKEQSNPYMVL
DIDKLFHVRPVTQTDVYRADAKEIPRIFQILYANEGESKKEQEFPVEPVGEKSNYICHKG
HEFIPTLYHFPTNCEACMKPLWHMFKPPPALECRRCHIKCHKDHMDKKEEIIAPCKVYYD
ISTAKNLLLLANSTEEQQKWVSRLVKKIPKKPPAPDPFARSSPRTSMKIQQNQSIRRPSR
QLAPNKPS
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| BDBM50604140 |
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| n/a |
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| Name | BDBM50604140 |
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| Synonyms: | CHEMBL5185000 |
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| Type | Small organic molecule |
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| Emp. Form. | C20H25N5O3 |
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| Mol. Mass. | 383.4442 |
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| SMILES | COC(=O)Nc1cc(ccn1)-c1cnc(OC[C@@](C)(N)CC(C)C)c(c1)C#N |r| |
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| Structure | 
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