BDBM50358486 CHEMBL1923173
SMILES: COc1cccc(c1)[C@@H](C)NC(=O)c1c[nH]c2cc(ccc12)-c1cn[nH]c1
InChI Key: InChIKey=CMZGQSDEDHCVNT-CYBMUJFWSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50358486 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)) | BDBM50358486
(CHEMBL1923173)Show SMILES COc1cccc(c1)[C@@H](C)NC(=O)c1c[nH]c2cc(ccc12)-c1cn[nH]c1 |r| Show InChI InChI=1S/C21H20N4O2/c1-13(14-4-3-5-17(8-14)27-2)25-21(26)19-12-22-20-9-15(6-7-18(19)20)16-10-23-24-11-16/h3-13,22H,1-2H3,(H,23,24)(H,25,26)/t13-/m1/s1 | 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 | 2 | 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)) | BDBM50358486
(CHEMBL1923173)Show SMILES COc1cccc(c1)[C@@H](C)NC(=O)c1c[nH]c2cc(ccc12)-c1cn[nH]c1 |r| Show InChI InChI=1S/C21H20N4O2/c1-13(14-4-3-5-17(8-14)27-2)25-21(26)19-12-22-20-9-15(6-7-18(19)20)16-10-23-24-11-16/h3-13,22H,1-2H3,(H,23,24)(H,25,26)/t13-/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 | <1 | 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 | |