Found 3 hits for monomerid = 50192379 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)) | BDBM50192379
(4-(2,6-dimethylphenyl)-9-hydroxypyrrolo[3,4-c]carb...)Show SMILES Cc1cccc(C)c1-c1cc2[nH]c3ccc(O)cc3c2c2C(=O)NC(=O)c12 |(19.86,-2.13,;20.49,-.72,;22.02,-.56,;22.64,.85,;21.72,2.1,;20.2,1.93,;19.29,3.17,;19.58,.52,;18.06,.36,;17.42,-1.06,;15.89,-1.21,;14.98,-2.47,;13.5,-1.99,;12.17,-2.76,;10.84,-1.99,;10.84,-.44,;9.51,.33,;12.17,.33,;13.5,-.44,;14.98,.04,;15.61,1.45,;14.98,2.86,;13.48,3.18,;16.13,3.88,;17.46,3.11,;18.86,3.73,;17.13,1.61,)| Show InChI InChI=1S/C22H16N2O3/c1-10-4-3-5-11(2)17(10)14-9-16-18(20-19(14)21(26)24-22(20)27)13-8-12(25)6-7-15(13)23-16/h3-9,23,25H,1-2H3,(H,24,26,27) | 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 | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Auckland
Curated by ChEMBL
| Assay Description Inhibition at human Chk1 in presence of 4 uM ATP |
J Med Chem 49: 4896-911 (2006)
Article DOI: 10.1021/jm0512591 BindingDB Entry DOI: 10.7270/Q23778BD |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase WEE1
(Homo sapiens (Human)) | BDBM50192379
(4-(2,6-dimethylphenyl)-9-hydroxypyrrolo[3,4-c]carb...)Show SMILES Cc1cccc(C)c1-c1cc2[nH]c3ccc(O)cc3c2c2C(=O)NC(=O)c12 |(19.86,-2.13,;20.49,-.72,;22.02,-.56,;22.64,.85,;21.72,2.1,;20.2,1.93,;19.29,3.17,;19.58,.52,;18.06,.36,;17.42,-1.06,;15.89,-1.21,;14.98,-2.47,;13.5,-1.99,;12.17,-2.76,;10.84,-1.99,;10.84,-.44,;9.51,.33,;12.17,.33,;13.5,-.44,;14.98,.04,;15.61,1.45,;14.98,2.86,;13.48,3.18,;16.13,3.88,;17.46,3.11,;18.86,3.73,;17.13,1.61,)| Show InChI InChI=1S/C22H16N2O3/c1-10-4-3-5-11(2)17(10)14-9-16-18(20-19(14)21(26)24-22(20)27)13-8-12(25)6-7-15(13)23-16/h3-9,23,25H,1-2H3,(H,24,26,27) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 75 | n/a | n/a | n/a | n/a | n/a | n/a |
Chulalongkorn University
Curated by ChEMBL
| Assay Description Inhibition of human Wee1 |
Eur J Med Chem 44: 1383-95 (2009)
Article DOI: 10.1016/j.ejmech.2008.09.027 BindingDB Entry DOI: 10.7270/Q2X34XB6 |
More data for this Ligand-Target Pair | 3D Structure (docked) |
Serine/threonine-protein kinase WEE1
(Homo sapiens (Human)) | BDBM50192379
(4-(2,6-dimethylphenyl)-9-hydroxypyrrolo[3,4-c]carb...)Show SMILES Cc1cccc(C)c1-c1cc2[nH]c3ccc(O)cc3c2c2C(=O)NC(=O)c12 |(19.86,-2.13,;20.49,-.72,;22.02,-.56,;22.64,.85,;21.72,2.1,;20.2,1.93,;19.29,3.17,;19.58,.52,;18.06,.36,;17.42,-1.06,;15.89,-1.21,;14.98,-2.47,;13.5,-1.99,;12.17,-2.76,;10.84,-1.99,;10.84,-.44,;9.51,.33,;12.17,.33,;13.5,-.44,;14.98,.04,;15.61,1.45,;14.98,2.86,;13.48,3.18,;16.13,3.88,;17.46,3.11,;18.86,3.73,;17.13,1.61,)| Show InChI InChI=1S/C22H16N2O3/c1-10-4-3-5-11(2)17(10)14-9-16-18(20-19(14)21(26)24-22(20)27)13-8-12(25)6-7-15(13)23-16/h3-9,23,25H,1-2H3,(H,24,26,27) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 75 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Auckland
Curated by ChEMBL
| Assay Description Inhibition of human Wee1 in presence of 9.5 uM ATP |
J Med Chem 49: 4896-911 (2006)
Article DOI: 10.1021/jm0512591 BindingDB Entry DOI: 10.7270/Q23778BD |
More data for this Ligand-Target Pair | 3D Structure (docked) |