BDBM50243530 1-(5-(4-(2-(diethylamino)ethoxy)phenyl)-3-(piperidin-4-ylcarbamoyl)thiophen-2-yl)urea::CHEMBL461294
SMILES: CCN(CC)CCOc1ccc(cc1)-c1cc(C(=O)NC2CCNCC2)c(NC(N)=O)s1
InChI Key: InChIKey=QPDUIQMRZXEISB-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50243530 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 |
Cyclin-dependent kinase 2-associated protein 1
(Homo sapiens (Human)) | BDBM50243530
(1-(5-(4-(2-(diethylamino)ethoxy)phenyl)-3-(piperid...)Show SMILES CCN(CC)CCOc1ccc(cc1)-c1cc(C(=O)NC2CCNCC2)c(NC(N)=O)s1 Show InChI InChI=1S/C23H33N5O3S/c1-3-28(4-2)13-14-31-18-7-5-16(6-8-18)20-15-19(22(32-20)27-23(24)30)21(29)26-17-9-11-25-12-10-17/h5-8,15,17,25H,3-4,9-14H2,1-2H3,(H,26,29)(H3,24,27,30) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | >6.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Boston
Curated by ChEMBL
| Assay Description Inhibition of Cdk1 |
Bioorg Med Chem Lett 18: 4242-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.016 BindingDB Entry DOI: 10.7270/Q2J102Z9 |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50243530
(1-(5-(4-(2-(diethylamino)ethoxy)phenyl)-3-(piperid...)Show SMILES CCN(CC)CCOc1ccc(cc1)-c1cc(C(=O)NC2CCNCC2)c(NC(N)=O)s1 Show InChI InChI=1S/C23H33N5O3S/c1-3-28(4-2)13-14-31-18-7-5-16(6-8-18)20-15-19(22(32-20)27-23(24)30)21(29)26-17-9-11-25-12-10-17/h5-8,15,17,25H,3-4,9-14H2,1-2H3,(H,26,29)(H3,24,27,30) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Boston
Curated by ChEMBL
| Assay Description Inhibition of Chk1 |
Bioorg Med Chem Lett 18: 4242-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.016 BindingDB Entry DOI: 10.7270/Q2J102Z9 |
More data for this Ligand-Target Pair | 3D Structure (docked) |