BDBM50061503 (S)-N*1*-(2-Benzylcarbamoyl-1-methyl-2-oxo-ethyl)-2-[(S)-2-(3,3-dimethyl-butyrylamino)-3,3-dimethyl-butyrylamino]-N*4*,N*4*-dimethyl-succinamide::CHEMBL422440

SMILES: CC(NC(=O)[C@H](CC(=O)N(C)C)NC(=O)[C@@H](NC(=O)CC(C)(C)C)C(C)(C)C)C(=O)C(=O)NCc1ccccc1

InChI Key: InChIKey=KGDZOIVZUWZIME-XYJFARLGSA-N

Data: 5 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 5 hits for monomerid = 50061503   

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
Human rhinovirus A protease (Human rhinovirus B)	BDBM50061503 ((S)-N*1*-(2-Benzylcarbamoyl-1-methyl-2-oxo-ethyl)-...) Show SMILES CC(NC(=O)[C@H](CC(=O)N(C)C)NC(=O)[C@@H](NC(=O)CC(C)(C)C)C(C)(C)C)C(=O)C(=O)NCc1ccccc1 Show InChI InChI=1S/C29H45N5O6/c1-18(23(37)26(39)30-17-19-13-11-10-12-14-19)31-25(38)20(15-22(36)34(8)9)32-27(40)24(29(5,6)7)33-21(35)16-28(2,3)4/h10-14,18,20,24H,15-17H2,1-9H3,(H,30,39)(H,31,38)(H,32,40)(H,33,35)/t18?,20-,24+/m0/s1	MMDB UniProtKB/TrEMBL B.MOAD 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
Boehringer Ingelheim Ltd. Curated by ChEMBL					Assay Description Micro molar potency of the compound to inhibit human cytomegalovirus (HCMV) protease				J Med Chem 40: 4113-35 (1998) Article DOI: 10.1021/jm970104t BindingDB Entry DOI: 10.7270/Q2PC31HW
					More data for this Ligand-Target Pair
Pancreatic elastase (Sus scrofa)	BDBM50061503 ((S)-N*1*-(2-Benzylcarbamoyl-1-methyl-2-oxo-ethyl)-...) Show SMILES CC(NC(=O)[C@H](CC(=O)N(C)C)NC(=O)[C@@H](NC(=O)CC(C)(C)C)C(C)(C)C)C(=O)C(=O)NCc1ccccc1 Show InChI InChI=1S/C29H45N5O6/c1-18(23(37)26(39)30-17-19-13-11-10-12-14-19)31-25(38)20(15-22(36)34(8)9)32-27(40)24(29(5,6)7)33-21(35)16-28(2,3)4/h10-14,18,20,24H,15-17H2,1-9H3,(H,30,39)(H,31,38)(H,32,40)(H,33,35)/t18?,20-,24+/m0/s1	MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Ltd. Curated by ChEMBL					Assay Description Activity against serine protease porcine pancreatic elastase (PPE)				J Med Chem 40: 4113-35 (1998) Article DOI: 10.1021/jm970104t BindingDB Entry DOI: 10.7270/Q2PC31HW
					More data for this Ligand-Target Pair
Alpha-chymotrypsin (Bos taurus (bovine))	BDBM50061503 ((S)-N*1*-(2-Benzylcarbamoyl-1-methyl-2-oxo-ethyl)-...) Show SMILES CC(NC(=O)[C@H](CC(=O)N(C)C)NC(=O)[C@@H](NC(=O)CC(C)(C)C)C(C)(C)C)C(=O)C(=O)NCc1ccccc1 Show InChI InChI=1S/C29H45N5O6/c1-18(23(37)26(39)30-17-19-13-11-10-12-14-19)31-25(38)20(15-22(36)34(8)9)32-27(40)24(29(5,6)7)33-21(35)16-28(2,3)4/h10-14,18,20,24H,15-17H2,1-9H3,(H,30,39)(H,31,38)(H,32,40)(H,33,35)/t18?,20-,24+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Ltd. Curated by ChEMBL					Assay Description Activity against serine protease bovine pancreatic Alpha-Chymotrypsinogen (BPC)				J Med Chem 40: 4113-35 (1998) Article DOI: 10.1021/jm970104t BindingDB Entry DOI: 10.7270/Q2PC31HW
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50061503 ((S)-N*1*-(2-Benzylcarbamoyl-1-methyl-2-oxo-ethyl)-...) Show SMILES CC(NC(=O)[C@H](CC(=O)N(C)C)NC(=O)[C@@H](NC(=O)CC(C)(C)C)C(C)(C)C)C(=O)C(=O)NCc1ccccc1 Show InChI InChI=1S/C29H45N5O6/c1-18(23(37)26(39)30-17-19-13-11-10-12-14-19)31-25(38)20(15-22(36)34(8)9)32-27(40)24(29(5,6)7)33-21(35)16-28(2,3)4/h10-14,18,20,24H,15-17H2,1-9H3,(H,30,39)(H,31,38)(H,32,40)(H,33,35)/t18?,20-,24+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Ltd. Curated by ChEMBL					Assay Description Activity against serine protease human liver Cathepsin B (cat-B )				J Med Chem 40: 4113-35 (1998) Article DOI: 10.1021/jm970104t BindingDB Entry DOI: 10.7270/Q2PC31HW
					More data for this Ligand-Target Pair
Leukocyte elastase (Homo sapiens (Human))	BDBM50061503 ((S)-N*1*-(2-Benzylcarbamoyl-1-methyl-2-oxo-ethyl)-...) Show SMILES CC(NC(=O)[C@H](CC(=O)N(C)C)NC(=O)[C@@H](NC(=O)CC(C)(C)C)C(C)(C)C)C(=O)C(=O)NCc1ccccc1 Show InChI InChI=1S/C29H45N5O6/c1-18(23(37)26(39)30-17-19-13-11-10-12-14-19)31-25(38)20(15-22(36)34(8)9)32-27(40)24(29(5,6)7)33-21(35)16-28(2,3)4/h10-14,18,20,24H,15-17H2,1-9H3,(H,30,39)(H,31,38)(H,32,40)(H,33,35)/t18?,20-,24+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Ltd. Curated by ChEMBL					Assay Description Binding affinity for human leukocyte elastase(HLE) serine protease				J Med Chem 40: 4113-35 (1998) Article DOI: 10.1021/jm970104t BindingDB Entry DOI: 10.7270/Q2PC31HW
					More data for this Ligand-Target Pair