Found 2 hits Enz. Inhib. hit(s) with Target = 'Rho-associated protein kinase 2' and Ligand = 'BDBM50382223' Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kJ/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50382223
(CHEMBL2023840)Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6]-[#7]-[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#7]S(=O)(=O)c1cccc2cnccc12)-[#6](-[#7])=O |r| Show InChI InChI=1S/C51H91N29O10S/c52-40(83)31(9-2-17-68-46(53)54)76-42(85)33(11-4-19-70-48(57)58)78-44(87)35(13-6-21-72-50(61)62)80-45(88)36(14-7-22-73-51(63)64)79-43(86)34(12-5-20-71-49(59)60)77-41(84)32(10-3-18-69-47(55)56)75-39(82)28-66-27-38(81)67-24-25-74-91(89,90)37-15-1-8-29-26-65-23-16-30(29)37/h1,8,15-16,23,26,31-36,66,74H,2-7,9-14,17-22,24-25,27-28H2,(H2,52,83)(H,67,81)(H,75,82)(H,76,85)(H,77,84)(H,78,87)(H,79,86)(H,80,88)(H4,53,54,68)(H4,55,56,69)(H4,57,58,70)(H4,59,60,71)(H4,61,62,72)(H4,63,64,73)/t31-,32-,33-,34-,35-,36-/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 151 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Tartu
Curated by ChEMBL
| Assay Description Displacement of fluorescent-ARC-1042 from His6-tagged recombinant human ROCK2 by fluorescence anisotropy assay |
Bioorg Med Chem Lett 22: 3425-30 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.101 BindingDB Entry DOI: 10.7270/Q2GT5P5N |
More data for this Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50382223
(CHEMBL2023840)Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6]-[#7]-[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#7]S(=O)(=O)c1cccc2cnccc12)-[#6](-[#7])=O |r| Show InChI InChI=1S/C51H91N29O10S/c52-40(83)31(9-2-17-68-46(53)54)76-42(85)33(11-4-19-70-48(57)58)78-44(87)35(13-6-21-72-50(61)62)80-45(88)36(14-7-22-73-51(63)64)79-43(86)34(12-5-20-71-49(59)60)77-41(84)32(10-3-18-69-47(55)56)75-39(82)28-66-27-38(81)67-24-25-74-91(89,90)37-15-1-8-29-26-65-23-16-30(29)37/h1,8,15-16,23,26,31-36,66,74H,2-7,9-14,17-22,24-25,27-28H2,(H2,52,83)(H,67,81)(H,75,82)(H,76,85)(H,77,84)(H,78,87)(H,79,86)(H,80,88)(H4,53,54,68)(H4,55,56,69)(H4,57,58,70)(H4,59,60,71)(H4,61,62,72)(H4,63,64,73)/t31-,32-,33-,34-,35-,36-/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 151 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Tartu
Curated by ChEMBL
| Assay Description Displacement of fluorescent-ARC-1042 from His6-tagged recombinant human ROCK2 by fluorescence anisotropy assay |
Bioorg Med Chem Lett 22: 3425-30 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.101 BindingDB Entry DOI: 10.7270/Q2GT5P5N |
More data for this Ligand-Target Pair | |