BDBM50242821 (S)-1-(5-(4-hydroxyphenyl)-3-(piperidin-3-ylcarbamoyl)thiophen-2-yl)urea::CHEMBL459428
SMILES: NC(=O)Nc1sc(cc1C(=O)N[C@H]1CCCNC1)-c1ccc(O)cc1
InChI Key: InChIKey=DMJCWMNMPJOWMW-NSHDSACASA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50242821 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)) | BDBM50242821
((S)-1-(5-(4-hydroxyphenyl)-3-(piperidin-3-ylcarbam...)Show SMILES NC(=O)Nc1sc(cc1C(=O)N[C@H]1CCCNC1)-c1ccc(O)cc1 |r| Show InChI InChI=1S/C17H20N4O3S/c18-17(24)21-16-13(15(23)20-11-2-1-7-19-9-11)8-14(25-16)10-3-5-12(22)6-4-10/h3-6,8,11,19,22H,1-2,7,9H2,(H,20,23)(H3,18,21,24)/t11-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.02E+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)) | BDBM50242821
((S)-1-(5-(4-hydroxyphenyl)-3-(piperidin-3-ylcarbam...)Show SMILES NC(=O)Nc1sc(cc1C(=O)N[C@H]1CCCNC1)-c1ccc(O)cc1 |r| Show InChI InChI=1S/C17H20N4O3S/c18-17(24)21-16-13(15(23)20-11-2-1-7-19-9-11)8-14(25-16)10-3-5-12(22)6-4-10/h3-6,8,11,19,22H,1-2,7,9H2,(H,20,23)(H3,18,21,24)/t11-/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 | 7 | 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) |