BDBM50167706 (S)-N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-methyl-4-oxo-4H-chromene-2-carboxamide::3-Methyl-4-oxo-4H-chromene-2-carboxylic acid ((S)-1-benzyl-2-carbamoyl-2-oxo-ethyl)-amide::CHEMBL195728

SMILES: Cc1c(oc2ccccc2c1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(N)=O

InChI Key: InChIKey=GTQCEBKREVJDGA-HNNXBMFYSA-N

Data: 4 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 4 hits for monomerid = 50167706   

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
Calpain1 (Homo sapiens (Human))	BDBM50167706 ((S)-N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-met...) Show SMILES Cc1c(oc2ccccc2c1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(N)=O |r| Show InChI InChI=1S/C21H18N2O5/c1-12-17(24)14-9-5-6-10-16(14)28-19(12)21(27)23-15(18(25)20(22)26)11-13-7-3-2-4-8-13/h2-10,15H,11H2,1H3,(H2,22,26)(H,23,27)/t15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Science & Technology Curated by ChEMBL					Assay Description Inhibitory concentration against human plasma mu-calpain				Bioorg Med Chem Lett 15: 2857-60 (2005) Article DOI: 10.1016/j.bmcl.2005.03.095 BindingDB Entry DOI: 10.7270/Q2Z31Z5J
					More data for this Ligand-Target Pair
Calpain1 (Homo sapiens (Human))	BDBM50167706 ((S)-N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-met...) Show SMILES Cc1c(oc2ccccc2c1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(N)=O |r| Show InChI InChI=1S/C21H18N2O5/c1-12-17(24)14-9-5-6-10-16(14)28-19(12)21(27)23-15(18(25)20(22)26)11-13-7-3-2-4-8-13/h2-10,15H,11H2,1H3,(H2,22,26)(H,23,27)/t15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human erythrocytes mu-calpain				Bioorg Med Chem Lett 19: 502-7 (2008) Article DOI: 10.1016/j.bmcl.2008.11.030 BindingDB Entry DOI: 10.7270/Q2PK0H2S
					More data for this Ligand-Target Pair
Calpain1 (Homo sapiens (Human))	BDBM50167706 ((S)-N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-met...) Show SMILES Cc1c(oc2ccccc2c1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(N)=O |r| Show InChI InChI=1S/C21H18N2O5/c1-12-17(24)14-9-5-6-10-16(14)28-19(12)21(27)23-15(18(25)20(22)26)11-13-7-3-2-4-8-13/h2-10,15H,11H2,1H3,(H2,22,26)(H,23,27)/t15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
College of Pharmacy Kyung Hee University Curated by ChEMBL					Assay Description Inhibition of human erythrocytes mu-calpain using Suc-Leu-Tyr-AMC fluorogenic substrate after 30 mins by spectrofluorimetery				Bioorg Med Chem Lett 21: 2850-4 (2011) Article DOI: 10.1016/j.bmcl.2011.03.077 BindingDB Entry DOI: 10.7270/Q27P8ZQQ
					More data for this Ligand-Target Pair
Calpain1 (Homo sapiens (Human))	BDBM50167706 ((S)-N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-met...) Show SMILES Cc1c(oc2ccccc2c1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(N)=O |r| Show InChI InChI=1S/C21H18N2O5/c1-12-17(24)14-9-5-6-10-16(14)28-19(12)21(27)23-15(18(25)20(22)26)11-13-7-3-2-4-8-13/h2-10,15H,11H2,1H3,(H2,22,26)(H,23,27)/t15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Kyung Hee University Curated by ChEMBL					Assay Description Inhibition of human mu-calpain				Bioorg Med Chem Lett 18: 205-9 (2008) Article DOI: 10.1016/j.bmcl.2007.10.097 BindingDB Entry DOI: 10.7270/Q2CV4HH3
					More data for this Ligand-Target Pair