BDBM50061516 (S)-2-[(S)-2-(3,3-Dimethyl-butyrylamino)-3,3-dimethyl-butyrylamino]-N*1*-(1-diphenoxymethylphosphinoyl-ethyl)-N*4*,N*4*-dimethyl-succinamide::CHEMBL334303

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)P(=O)C(Oc1ccccc1)Oc1ccccc1

InChI Key: InChIKey=FRJRHCWROCOJPN-LPQIQNIRSA-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 = 50061516   

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)	BDBM50061516 ((S)-2-[(S)-2-(3,3-Dimethyl-butyrylamino)-3,3-dimet...) 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)P(=O)C(Oc1ccccc1)Oc1ccccc1 Show InChI InChI=1S/C33H49N4O7P/c1-22(45(42)31(43-23-16-12-10-13-17-23)44-24-18-14-11-15-19-24)34-29(40)25(20-27(39)37(8)9)35-30(41)28(33(5,6)7)36-26(38)21-32(2,3)4/h10-19,22,25,28,31,45H,20-21H2,1-9H3,(H,34,40)(H,35,41)(H,36,38)/t22?,25-,28+/m0/s1	MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	660	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
Leukocyte elastase (Homo sapiens (Human))	BDBM50061516 ((S)-2-[(S)-2-(3,3-Dimethyl-butyrylamino)-3,3-dimet...) 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)P(=O)C(Oc1ccccc1)Oc1ccccc1 Show InChI InChI=1S/C33H49N4O7P/c1-22(45(42)31(43-23-16-12-10-13-17-23)44-24-18-14-11-15-19-24)34-29(40)25(20-27(39)37(8)9)35-30(41)28(33(5,6)7)36-26(38)21-32(2,3)4/h10-19,22,25,28,31,45H,20-21H2,1-9H3,(H,34,40)(H,35,41)(H,36,38)/t22?,25-,28+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	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 of compound against serine protease human leukocyte elastase(HLE)				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)	BDBM50061516 ((S)-2-[(S)-2-(3,3-Dimethyl-butyrylamino)-3,3-dimet...) 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)P(=O)C(Oc1ccccc1)Oc1ccccc1 Show InChI InChI=1S/C33H49N4O7P/c1-22(45(42)31(43-23-16-12-10-13-17-23)44-24-18-14-11-15-19-24)34-29(40)25(20-27(39)37(8)9)35-30(41)28(33(5,6)7)36-26(38)21-32(2,3)4/h10-19,22,25,28,31,45H,20-21H2,1-9H3,(H,34,40)(H,35,41)(H,36,38)/t22?,25-,28+/m0/s1	MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	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 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
Cathepsin B (Homo sapiens (Human))	BDBM50061516 ((S)-2-[(S)-2-(3,3-Dimethyl-butyrylamino)-3,3-dimet...) 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)P(=O)C(Oc1ccccc1)Oc1ccccc1 Show InChI InChI=1S/C33H49N4O7P/c1-22(45(42)31(43-23-16-12-10-13-17-23)44-24-18-14-11-15-19-24)34-29(40)25(20-27(39)37(8)9)35-30(41)28(33(5,6)7)36-26(38)21-32(2,3)4/h10-19,22,25,28,31,45H,20-21H2,1-9H3,(H,34,40)(H,35,41)(H,36,38)/t22?,25-,28+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	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
Alpha-chymotrypsin (Bos taurus (bovine))	BDBM50061516 ((S)-2-[(S)-2-(3,3-Dimethyl-butyrylamino)-3,3-dimet...) 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)P(=O)C(Oc1ccccc1)Oc1ccccc1 Show InChI InChI=1S/C33H49N4O7P/c1-22(45(42)31(43-23-16-12-10-13-17-23)44-24-18-14-11-15-19-24)34-29(40)25(20-27(39)37(8)9)35-30(41)28(33(5,6)7)36-26(38)21-32(2,3)4/h10-19,22,25,28,31,45H,20-21H2,1-9H3,(H,34,40)(H,35,41)(H,36,38)/t22?,25-,28+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	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