BDBM50214559 3-(4'-hydroxy-biphenyl-4-yl)-6-methoxy-2,4-dihydro-indeno[1,2-c]pyrazol-7-ol::CHEMBL248200::Chk1_130
SMILES: COc1cc2Cc3c(n[nH]c3-c2cc1O)-c1ccc(cc1)-c1ccc(O)cc1
InChI Key: InChIKey=DZQSMOOQLBUCRF-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50214559 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 |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50214559
(3-(4'-hydroxy-biphenyl-4-yl)-6-methoxy-2,4-dihydro...)Show SMILES COc1cc2Cc3c(n[nH]c3-c2cc1O)-c1ccc(cc1)-c1ccc(O)cc1 Show InChI InChI=1S/C23H18N2O3/c1-28-21-11-16-10-19-22(24-25-23(19)18(16)12-20(21)27)15-4-2-13(3-5-15)14-6-8-17(26)9-7-14/h2-9,11-12,26-27H,10H2,1H3,(H,24,25) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Inhibition of Chk1 |
Bioorg Med Chem Lett 17: 4308-15 (2007)
Article DOI: 10.1016/j.bmcl.2007.05.027 BindingDB Entry DOI: 10.7270/Q2PZ58JV |
More data for this Ligand-Target Pair | 3D Structure (docked) |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50214559
(3-(4'-hydroxy-biphenyl-4-yl)-6-methoxy-2,4-dihydro...)Show SMILES COc1cc2Cc3c(n[nH]c3-c2cc1O)-c1ccc(cc1)-c1ccc(O)cc1 Show InChI InChI=1S/C23H18N2O3/c1-28-21-11-16-10-19-22(24-25-23(19)18(16)12-20(21)27)15-4-2-13(3-5-15)14-6-8-17(26)9-7-14/h2-9,11-12,26-27H,10H2,1H3,(H,24,25) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
CSAR
| Assay Description Abbott Kinase Enzymatics_CHK1/289 CDC25c - IC50(uM) (IC50) |
CSAR 1: (2012)
|
More data for this Ligand-Target Pair | 3D Structure (docked) |