BDBM50243099 (S)-1-(5-(4-(dimethylamino)phenyl)-3-(piperidin-3-ylcarbamoyl)thiophen-2-yl)urea::CHEMBL488287
SMILES: CN(C)c1ccc(cc1)-c1cc(C(=O)N[C@H]2CCCNC2)c(NC(N)=O)s1
InChI Key: InChIKey=CURCEQQYFIGJJK-ZDUSSCGKSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50243099 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)) | BDBM50243099
((S)-1-(5-(4-(dimethylamino)phenyl)-3-(piperidin-3-...)Show SMILES CN(C)c1ccc(cc1)-c1cc(C(=O)N[C@H]2CCCNC2)c(NC(N)=O)s1 |r| Show InChI InChI=1S/C19H25N5O2S/c1-24(2)14-7-5-12(6-8-14)16-10-15(18(27-16)23-19(20)26)17(25)22-13-4-3-9-21-11-13/h5-8,10,13,21H,3-4,9,11H2,1-2H3,(H,22,25)(H3,20,23,26)/t13-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 8.40E+3 | 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)) | BDBM50243099
((S)-1-(5-(4-(dimethylamino)phenyl)-3-(piperidin-3-...)Show SMILES CN(C)c1ccc(cc1)-c1cc(C(=O)N[C@H]2CCCNC2)c(NC(N)=O)s1 |r| Show InChI InChI=1S/C19H25N5O2S/c1-24(2)14-7-5-12(6-8-14)16-10-15(18(27-16)23-19(20)26)17(25)22-13-4-3-9-21-11-13/h5-8,10,13,21H,3-4,9,11H2,1-2H3,(H,22,25)(H3,20,23,26)/t13-/m0/s1 | 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 | 41 | 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) |