Found 2 hits Enz. Inhib. hit(s) with Target = 'Rho-associated protein kinase 2' and Ligand = 'BDBM50311409' 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)) | BDBM50311409
(CHEMBL1077375 | N-((6R,9R,12R,15R,18R,21R,31R)-1-a...)Show SMILES [#7]-[#6]-[#6]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-c1ccc(s1)-c1ccnc(-[#7])n1)-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](-[#7])=O |r| Show InChI InChI=1S/C63H114N32O10S/c64-27-6-5-15-39(88-47(96)22-4-2-8-29-80-56(105)46-25-24-45(106-46)37-26-36-87-63(78)95-37)50(99)79-28-7-1-3-23-48(97)89-40(17-10-31-82-58(68)69)51(100)91-42(19-12-33-84-60(72)73)53(102)93-44(21-14-35-86-62(76)77)55(104)94-43(20-13-34-85-61(74)75)54(103)92-41(18-11-32-83-59(70)71)52(101)90-38(49(65)98)16-9-30-81-57(66)67/h24-26,36,38-44H,1-23,27-35,64H2,(H2,65,98)(H,79,99)(H,80,105)(H,88,96)(H,89,97)(H,90,101)(H,91,100)(H,92,103)(H,93,102)(H,94,104)(H4,66,67,81)(H4,68,69,82)(H4,70,71,83)(H4,72,73,84)(H4,74,75,85)(H4,76,77,86)(H2,78,87,95)/t38-,39-,40-,41-,42-,43-,44-/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 | 2.80 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Tartu
Curated by ChEMBL
| Assay Description Displacement of fluorescent-ARC-1063 from His6-tagged recombinant human ROCK2 by luminescence intensity 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)) | BDBM50311409
(CHEMBL1077375 | N-((6R,9R,12R,15R,18R,21R,31R)-1-a...)Show SMILES [#7]-[#6]-[#6]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-c1ccc(s1)-c1ccnc(-[#7])n1)-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](-[#7])=O |r| Show InChI InChI=1S/C63H114N32O10S/c64-27-6-5-15-39(88-47(96)22-4-2-8-29-80-56(105)46-25-24-45(106-46)37-26-36-87-63(78)95-37)50(99)79-28-7-1-3-23-48(97)89-40(17-10-31-82-58(68)69)51(100)91-42(19-12-33-84-60(72)73)53(102)93-44(21-14-35-86-62(76)77)55(104)94-43(20-13-34-85-61(74)75)54(103)92-41(18-11-32-83-59(70)71)52(101)90-38(49(65)98)16-9-30-81-57(66)67/h24-26,36,38-44H,1-23,27-35,64H2,(H2,65,98)(H,79,99)(H,80,105)(H,88,96)(H,89,97)(H,90,101)(H,91,100)(H,92,103)(H,93,102)(H,94,104)(H4,66,67,81)(H4,68,69,82)(H4,70,71,83)(H4,72,73,84)(H4,74,75,85)(H4,76,77,86)(H2,78,87,95)/t38-,39-,40-,41-,42-,43-,44-/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 | n/a | 0.00560 | n/a | n/a | n/a | n/a | n/a |
University of Tartu
Curated by ChEMBL
| Assay Description Displacement of fluorescent-ARC-1063 from His6-tagged recombinant human ROCK2 by luminescence intensity 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 | |