BDBM50306090 (S)-1-(5-(3-methyl-1H-indazol-5-yl)-6-phenylpyridin-3-yloxy)-3-phenylpropan-2-amine::CHEMBL605732
SMILES: Cc1n[nH]c2ccc(cc12)-c1cc(OC[C@@H](N)Cc2ccccc2)cnc1-c1ccccc1
InChI Key: InChIKey=JWYRAAFPDRMISU-QHCPKHFHSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50306090 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)) | BDBM50306090
((S)-1-(5-(3-methyl-1H-indazol-5-yl)-6-phenylpyridi...)Show SMILES Cc1n[nH]c2ccc(cc12)-c1cc(OC[C@@H](N)Cc2ccccc2)cnc1-c1ccccc1 |r| Show InChI InChI=1S/C28H26N4O/c1-19-25-15-22(12-13-27(25)32-31-19)26-16-24(17-30-28(26)21-10-6-3-7-11-21)33-18-23(29)14-20-8-4-2-5-9-20/h2-13,15-17,23H,14,18,29H2,1H3,(H,31,32)/t23-/m0/s1 | 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 | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of ROCK1 |
Bioorg Med Chem Lett 20: 673-8 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.064 BindingDB Entry DOI: 10.7270/Q2D21XQ0 |
More data for this Ligand-Target Pair | |
RAC-alpha serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50306090
((S)-1-(5-(3-methyl-1H-indazol-5-yl)-6-phenylpyridi...)Show SMILES Cc1n[nH]c2ccc(cc12)-c1cc(OC[C@@H](N)Cc2ccccc2)cnc1-c1ccccc1 |r| Show InChI InChI=1S/C28H26N4O/c1-19-25-15-22(12-13-27(25)32-31-19)26-16-24(17-30-28(26)21-10-6-3-7-11-21)33-18-23(29)14-20-8-4-2-5-9-20/h2-13,15-17,23H,14,18,29H2,1H3,(H,31,32)/t23-/m0/s1 | PDB
UniProtKB/SwissProt UniProtKB/TrEMBL
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of full length AKT1 |
Bioorg Med Chem Lett 20: 673-8 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.064 BindingDB Entry DOI: 10.7270/Q2D21XQ0 |
More data for this Ligand-Target Pair | |