null
SMILES: C1CCN(C1)c1ncc(nc1N1CCCNCC1)-c1ccnc2[nH]ccc12
InChI Key: InChIKey=XQDLITNOVPCUMD-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50309122 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)) | BDBM50309122
(4-(6-(1,4-diazepan-1-yl)-5-(pyrrolidin-1-yl)pyrazi...)Show SMILES C1CCN(C1)c1ncc(nc1N1CCCNCC1)-c1ccnc2[nH]ccc12 Show InChI InChI=1S/C20H25N7/c1-2-11-26(10-1)19-20(27-12-3-6-21-9-13-27)25-17(14-24-19)15-4-7-22-18-16(15)5-8-23-18/h4-5,7-8,14,21H,1-3,6,9-13H2,(H,22,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 170 | n/a | n/a | n/a | n/a | n/a | n/a |
AMRI
Curated by ChEMBL
| Assay Description Inhibition of human recombinant ROCK1 |
Bioorg Med Chem Lett 20: 1137-40 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.012 BindingDB Entry DOI: 10.7270/Q2QR4X7J |
More data for this Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50309122
(4-(6-(1,4-diazepan-1-yl)-5-(pyrrolidin-1-yl)pyrazi...)Show SMILES C1CCN(C1)c1ncc(nc1N1CCCNCC1)-c1ccnc2[nH]ccc12 Show InChI InChI=1S/C20H25N7/c1-2-11-26(10-1)19-20(27-12-3-6-21-9-13-27)25-17(14-24-19)15-4-7-22-18-16(15)5-8-23-18/h4-5,7-8,14,21H,1-3,6,9-13H2,(H,22,23) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
AMRI
Curated by ChEMBL
| Assay Description Inhibition of human recombinant ROCK2 |
Bioorg Med Chem Lett 20: 1137-40 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.012 BindingDB Entry DOI: 10.7270/Q2QR4X7J |
More data for this Ligand-Target Pair | |