null
SMILES: Fc1ccc(CNC(=O)c2c[nH]c3cc(ccc23)-c2cn[nH]c2)cc1F
InChI Key: InChIKey=HEESYZLXEJDLJI-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50358485 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)) | BDBM50358485
(CHEMBL1923172)Show SMILES Fc1ccc(CNC(=O)c2c[nH]c3cc(ccc23)-c2cn[nH]c2)cc1F Show InChI InChI=1S/C19H14F2N4O/c20-16-4-1-11(5-17(16)21)7-23-19(26)15-10-22-18-6-12(2-3-14(15)18)13-8-24-25-9-13/h1-6,8-10,22H,7H2,(H,23,26)(H,24,25) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 34 | 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)) | BDBM50358485
(CHEMBL1923172)Show SMILES Fc1ccc(CNC(=O)c2c[nH]c3cc(ccc23)-c2cn[nH]c2)cc1F Show InChI InChI=1S/C19H14F2N4O/c20-16-4-1-11(5-17(16)21)7-23-19(26)15-10-22-18-6-12(2-3-14(15)18)13-8-24-25-9-13/h1-6,8-10,22H,7H2,(H,23,26)(H,24,25) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 8 | 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 | |