null
SMILES: COc1cccc(CNC(=O)c2cc3cnc(cc3[nH]2)-c2cn[nH]c2C)c1
InChI Key: InChIKey=FKVZGPYNRDQDAJ-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50358474 Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Rho-associated protein kinase 1
(Homo sapiens (Human)) | BDBM50358474
(CHEMBL1923163)Show SMILES COc1cccc(CNC(=O)c2cc3cnc(cc3[nH]2)-c2cn[nH]c2C)c1 Show InChI InChI=1S/C20H19N5O2/c1-12-16(11-23-25-12)18-8-17-14(10-21-18)7-19(24-17)20(26)22-9-13-4-3-5-15(6-13)27-2/h3-8,10-11,24H,9H2,1-2H3,(H,22,26)(H,23,25) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description Inhibition of ROCK1 |
Bioorg Med Chem Lett 21: 7107-12 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.083 BindingDB Entry DOI: 10.7270/Q20002H5 |
More data for this Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50358474
(CHEMBL1923163)Show SMILES COc1cccc(CNC(=O)c2cc3cnc(cc3[nH]2)-c2cn[nH]c2C)c1 Show InChI InChI=1S/C20H19N5O2/c1-12-16(11-23-25-12)18-8-17-14(10-21-18)7-19(24-17)20(26)22-9-13-4-3-5-15(6-13)27-2/h3-8,10-11,24H,9H2,1-2H3,(H,22,26)(H,23,25) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 530 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description Inhibition of human 6-His-tagged ROCK2 expressed in Sf9 cells |
Bioorg Med Chem Lett 21: 7107-12 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.083 BindingDB Entry DOI: 10.7270/Q20002H5 |
More data for this Ligand-Target Pair | |