BDBM50245546 CHEMBL487891::Methyl 3-(4-(2-chlorophenyl)-9-hydroxy-1,3-dioxo-2,3-dihydropyrrolo[3,4-c]carbazol-6(1H )-yl)propanoate::methyl 3-(4-(2-chlorophenyl)-9-hydroxy-1,3-dioxo-2,3-dihydropyrrolo[3,4-c]carbazol-6(1H)-yl)propanoate

SMILES: COC(=O)CCn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl

InChI Key: InChIKey=HUKGACBEOZARIH-UHFFFAOYSA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50245546   

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))	BDBM50245546 (CHEMBL487891 | Methyl 3-(4-(2-chlorophenyl)-9-hydr...) Show SMILES COC(=O)CCn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl Show InChI InChI=1S/C24H17ClN2O5/c1-32-19(29)8-9-27-17-7-6-12(28)10-15(17)20-18(27)11-14(13-4-2-3-5-16(13)25)21-22(20)24(31)26-23(21)30/h2-7,10-11,28H,8-9H2,1H3,(H,26,30,31)	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	200	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of Chk1 kinase assessed as GST-Cdc25 phosphorylation by Western blot determination				Eur J Med Chem 43: 1276-96 (2008) Article DOI: 10.1016/j.ejmech.2007.07.016 BindingDB Entry DOI: 10.7270/Q26M36MC
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase WEE1 (Homo sapiens (Human))	BDBM50245546 (CHEMBL487891 | Methyl 3-(4-(2-chlorophenyl)-9-hydr...) Show SMILES COC(=O)CCn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl Show InChI InChI=1S/C24H17ClN2O5/c1-32-19(29)8-9-27-17-7-6-12(28)10-15(17)20-18(27)11-14(13-4-2-3-5-16(13)25)21-22(20)24(31)26-23(21)30/h2-7,10-11,28H,8-9H2,1H3,(H,26,30,31)	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	30	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
Serine/threonine-protein kinase WEE1 (Homo sapiens (Human))	BDBM50245546 (CHEMBL487891 | Methyl 3-(4-(2-chlorophenyl)-9-hydr...) Show SMILES COC(=O)CCn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl Show InChI InChI=1S/C24H17ClN2O5/c1-32-19(29)8-9-27-17-7-6-12(28)10-15(17)20-18(27)11-14(13-4-2-3-5-16(13)25)21-22(20)24(31)26-23(21)30/h2-7,10-11,28H,8-9H2,1H3,(H,26,30,31)	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	30	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of human Wee1 assessed as polyornithine-tyrosine copolymer phosphorylation				Eur J Med Chem 43: 1276-96 (2008) Article DOI: 10.1016/j.ejmech.2007.07.016 BindingDB Entry DOI: 10.7270/Q26M36MC
					More data for this Ligand-Target Pair