BDBM50120308 CHEMBL443537::Peptide Boronic Acid analogue

SMILES: CC(C)C[C@H](NC(=O)[C@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)CC(O)=O)C(C)C)C(C)C)B1O[C@@H]2C[C@@H]3C[C@@H](C3(C)C)[C@]2(C)O1

InChI Key: InChIKey=QFDQJGWBGDLMEH-AWGCQBATSA-N

Data: 1 KI  1 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 2 hits for monomerid = 50120308   

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
Hepatitis C virus serine protease, NS3/NS4A (Hepatitis C virus)	BDBM50120308 (CHEMBL443537 | Peptide Boronic Acid analogue) Show SMILES CC(C)C[C@H](NC(=O)[C@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)CC(O)=O)C(C)C)C(C)C)B1O[C@@H]2C[C@@H]3C[C@@H](C3(C)C)[C@]2(C)O1 Show InChI InChI=1S/C39H65BN6O11/c1-19(2)15-28(40-56-27-17-22-16-26(38(22,7)8)39(27,9)57-40)43-35(53)25-11-10-14-46(25)37(55)32(21(5)6)45-36(54)31(20(3)4)44-34(52)24(12-13-29(47)48)42-33(51)23(41)18-30(49)50/h19-28,31-32H,10-18,41H2,1-9H3,(H,42,51)(H,43,53)(H,44,52)(H,45,54)(H,47,48)(H,49,50)/t22-,23-,24-,25+,26-,27+,28-,31-,32-,39-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity against Hepatitis C virus NS3 protease				Bioorg Med Chem Lett 12: 3199-202 (2002) BindingDB Entry DOI: 10.7270/Q2R49Q38
					More data for this Ligand-Target Pair
Leukocyte elastase (Homo sapiens (Human))	BDBM50120308 (CHEMBL443537 | Peptide Boronic Acid analogue) Show SMILES CC(C)C[C@H](NC(=O)[C@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)CC(O)=O)C(C)C)C(C)C)B1O[C@@H]2C[C@@H]3C[C@@H](C3(C)C)[C@]2(C)O1 Show InChI InChI=1S/C39H65BN6O11/c1-19(2)15-28(40-56-27-17-22-16-26(38(22,7)8)39(27,9)57-40)43-35(53)25-11-10-14-46(25)37(55)32(21(5)6)45-36(54)31(20(3)4)44-34(52)24(12-13-29(47)48)42-33(51)23(41)18-30(49)50/h19-28,31-32H,10-18,41H2,1-9H3,(H,42,51)(H,43,53)(H,44,52)(H,45,54)(H,47,48)(H,49,50)/t22-,23-,24-,25+,26-,27+,28-,31-,32-,39-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration against Human leukocyte Elastase				Bioorg Med Chem Lett 12: 3199-202 (2002) BindingDB Entry DOI: 10.7270/Q2R49Q38
					More data for this Ligand-Target Pair