BDBM50171148 (S)-9-Oxo-1,2,3,9-tetrahydro-pyrrolo[2,1-b]quinazoline-1-carboxylic acid ((S)-2-hydroxy-5-oxo-tetrahydro-furan-3-yl)-amide::CHEMBL197926

SMILES: OC1OC(=O)C[C@@H]1NC(=O)[C@@H]1CCc2nc3ccccc3c(=O)n12

InChI Key: InChIKey=LVJUUYJFOYHIFM-LFVMAQABSA-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 = 50171148   

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
Caspase-3 (Homo sapiens (Human))	BDBM50171148 ((S)-9-Oxo-1,2,3,9-tetrahydro-pyrrolo[2,1-b]quinazo...) Show SMILES OC1OC(=O)C[C@@H]1NC(=O)[C@@H]1CCc2nc3ccccc3c(=O)n12 Show InChI InChI=1S/C16H15N3O5/c20-13-7-10(16(23)24-13)18-14(21)11-5-6-12-17-9-4-2-1-3-8(9)15(22)19(11)12/h1-4,10-11,16,23H,5-7H2,(H,18,21)/t10-,11-,16?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory activity towards CASP3 using fluorogenic substrates following an incubation for over 30 min at 37 degree C				Bioorg Med Chem Lett 15: 4322-6 (2005) Article DOI: 10.1016/j.bmcl.2005.06.046 BindingDB Entry DOI: 10.7270/Q2GF0T1T
					More data for this Ligand-Target Pair
Caspase-8 (Homo sapiens (Human))	BDBM50171148 ((S)-9-Oxo-1,2,3,9-tetrahydro-pyrrolo[2,1-b]quinazo...) Show SMILES OC1OC(=O)C[C@@H]1NC(=O)[C@@H]1CCc2nc3ccccc3c(=O)n12 Show InChI InChI=1S/C16H15N3O5/c20-13-7-10(16(23)24-13)18-14(21)11-5-6-12-17-9-4-2-1-3-8(9)15(22)19(11)12/h1-4,10-11,16,23H,5-7H2,(H,18,21)/t10-,11-,16?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory activity towards CASP8 using fluorogenic substrates following an incubation for over 30 min at 37 degree C				Bioorg Med Chem Lett 15: 4322-6 (2005) Article DOI: 10.1016/j.bmcl.2005.06.046 BindingDB Entry DOI: 10.7270/Q2GF0T1T
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50171148 ((S)-9-Oxo-1,2,3,9-tetrahydro-pyrrolo[2,1-b]quinazo...) Show SMILES OC1OC(=O)C[C@@H]1NC(=O)[C@@H]1CCc2nc3ccccc3c(=O)n12 Show InChI InChI=1S/C16H15N3O5/c20-13-7-10(16(23)24-13)18-14(21)11-5-6-12-17-9-4-2-1-3-8(9)15(22)19(11)12/h1-4,10-11,16,23H,5-7H2,(H,18,21)/t10-,11-,16?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.58E+3	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory activity towards CASP1 using fluorogenic substrates following an incubation for over 30 min at 37 degree C				Bioorg Med Chem Lett 15: 4322-6 (2005) Article DOI: 10.1016/j.bmcl.2005.06.046 BindingDB Entry DOI: 10.7270/Q2GF0T1T
					More data for this Ligand-Target Pair