BDBM50437951 CHEMBL2408922::US9403843, 24a

SMILES: CC(C)C[C@H](NC(=O)[C@H]1O[C@@H]1C(O)=O)C(=O)Nc1nc(cs1)-c1ccc(F)cc1

InChI Key: InChIKey=WVMZJHSGEWZNEO-QEJZJMRPSA-N

Data: 3 KI  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 6 hits for monomerid = 50437951   

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
Papain (Carica papaya)	BDBM50437951 (CHEMBL2408922 | US9403843, 24a) Show SMILES CC(C)C[C@H](NC(=O)[C@H]1O[C@@H]1C(O)=O)C(=O)Nc1nc(cs1)-c1ccc(F)cc1 |r| Show InChI InChI=1S/C19H20FN3O5S/c1-9(2)7-12(21-17(25)14-15(28-14)18(26)27)16(24)23-19-22-13(8-29-19)10-3-5-11(20)6-4-10/h3-6,8-9,12,14-15H,7H2,1-2H3,(H,21,25)(H,26,27)(H,22,23,24)/t12-,14-,15-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	1.62E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois College of Pharmacy Curated by ChEMBL					Assay Description Inhibition of papain after using SucLLVYAMC as substrate by FRET assay				J Med Chem 56: 6054-68 (2013) Article DOI: 10.1021/jm4006719 BindingDB Entry DOI: 10.7270/Q2VT1TG7
					More data for this Ligand-Target Pair
Calpain-1 (Sus scrofa (pig))	BDBM50437951 (CHEMBL2408922 | US9403843, 24a) Show SMILES CC(C)C[C@H](NC(=O)[C@H]1O[C@@H]1C(O)=O)C(=O)Nc1nc(cs1)-c1ccc(F)cc1 |r| Show InChI InChI=1S/C19H20FN3O5S/c1-9(2)7-12(21-17(25)14-15(28-14)18(26)27)16(24)23-19-22-13(8-29-19)10-3-5-11(20)6-4-10/h3-6,8-9,12,14-15H,7H2,1-2H3,(H,21,25)(H,26,27)(H,22,23,24)/t12-,14-,15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	US Patent	6.00E+3	-7.24	n/a	n/a	n/a	n/a	n/a	7.6	30
THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK; THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS US Patent					Assay Description Full length porcine calpain (156 nM), or papain (236 pM) was added to a solution of 100 mM NaCl, 50 mM HEPES, pH 7.6, 1 mM TCEP, 30 μM Suc-LLVY-AM...				US Patent US9403843 (2016) BindingDB Entry DOI: 10.7270/Q2KP8124
					More data for this Ligand-Target Pair
Calpain-1 (Sus scrofa (pig))	BDBM50437951 (CHEMBL2408922 | US9403843, 24a) Show SMILES CC(C)C[C@H](NC(=O)[C@H]1O[C@@H]1C(O)=O)C(=O)Nc1nc(cs1)-c1ccc(F)cc1 |r| Show InChI InChI=1S/C19H20FN3O5S/c1-9(2)7-12(21-17(25)14-15(28-14)18(26)27)16(24)23-19-22-13(8-29-19)10-3-5-11(20)6-4-10/h3-6,8-9,12,14-15H,7H2,1-2H3,(H,21,25)(H,26,27)(H,22,23,24)/t12-,14-,15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	6.02E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois College of Pharmacy Curated by ChEMBL					Assay Description Inhibition of pig full length Cal1 after using SucLLVYAMC as substrate by FRET assay				J Med Chem 56: 6054-68 (2013) Article DOI: 10.1021/jm4006719 BindingDB Entry DOI: 10.7270/Q2VT1TG7
					More data for this Ligand-Target Pair
Calpain1 (Homo sapiens (Human))	BDBM50437951 (CHEMBL2408922 | US9403843, 24a) Show SMILES CC(C)C[C@H](NC(=O)[C@H]1O[C@@H]1C(O)=O)C(=O)Nc1nc(cs1)-c1ccc(F)cc1 |r| Show InChI InChI=1S/C19H20FN3O5S/c1-9(2)7-12(21-17(25)14-15(28-14)18(26)27)16(24)23-19-22-13(8-29-19)10-3-5-11(20)6-4-10/h3-6,8-9,12,14-15H,7H2,1-2H3,(H,21,25)(H,26,27)(H,22,23,24)/t12-,14-,15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	US Patent	n/a	n/a	250	n/a	n/a	n/a	n/a	7.4	n/a
THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK; THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS US Patent					Assay Description The Calbiochem InnoZyme activity kit was used for measuring the inhibition effect inhibitors on human erythrocyte calpain 1 activity. A calpain FRET ...				US Patent US9403843 (2016) BindingDB Entry DOI: 10.7270/Q2KP8124
					More data for this Ligand-Target Pair
Calpain1 (Homo sapiens (Human))	BDBM50437951 (CHEMBL2408922 | US9403843, 24a) Show SMILES CC(C)C[C@H](NC(=O)[C@H]1O[C@@H]1C(O)=O)C(=O)Nc1nc(cs1)-c1ccc(F)cc1 |r| Show InChI InChI=1S/C19H20FN3O5S/c1-9(2)7-12(21-17(25)14-15(28-14)18(26)27)16(24)23-19-22-13(8-29-19)10-3-5-11(20)6-4-10/h3-6,8-9,12,14-15H,7H2,1-2H3,(H,21,25)(H,26,27)(H,22,23,24)/t12-,14-,15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	US Patent	n/a	n/a	50	n/a	n/a	n/a	n/a	7.4	n/a
THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK; THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS US Patent					Assay Description The Calbiochem InnoZyme activity kit was used for measuring the inhibition effect inhibitors on human erythrocyte calpain 1 activity. A calpain FRET ...				US Patent US9403843 (2016) BindingDB Entry DOI: 10.7270/Q2KP8124
					More data for this Ligand-Target Pair
Calpain1 (Homo sapiens (Human))	BDBM50437951 (CHEMBL2408922 | US9403843, 24a) Show SMILES CC(C)C[C@H](NC(=O)[C@H]1O[C@@H]1C(O)=O)C(=O)Nc1nc(cs1)-c1ccc(F)cc1 |r| Show InChI InChI=1S/C19H20FN3O5S/c1-9(2)7-12(21-17(25)14-15(28-14)18(26)27)16(24)23-19-22-13(8-29-19)10-3-5-11(20)6-4-10/h3-6,8-9,12,14-15H,7H2,1-2H3,(H,21,25)(H,26,27)(H,22,23,24)/t12-,14-,15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	US Patent	n/a	n/a	30	n/a	n/a	n/a	n/a	7.4	n/a
THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK; THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS US Patent					Assay Description The Calbiochem InnoZyme activity kit was used for measuring the inhibition effect inhibitors on human erythrocyte calpain 1 activity. A calpain FRET ...				US Patent US9403843 (2016) BindingDB Entry DOI: 10.7270/Q2KP8124
					More data for this Ligand-Target Pair