BDBM50120288 CHEMBL432978::Peptide Boronic Acid analogue

SMILES: CCCCC[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=DXVPYCVUSYGMPF-PBCYIKCTSA-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 = 50120288   

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)	BDBM50120288 (CHEMBL432978 | Peptide Boronic Acid analogue) Show SMILES CCCCC[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/C40H67BN6O11/c1-9-10-11-14-29(41-57-28-19-23-18-27(39(23,6)7)40(28,8)58-41)44-36(54)26-13-12-17-47(26)38(56)33(22(4)5)46-37(55)32(21(2)3)45-35(53)25(15-16-30(48)49)43-34(52)24(42)20-31(50)51/h21-29,32-33H,9-20,42H2,1-8H3,(H,43,52)(H,44,54)(H,45,53)(H,46,55)(H,48,49)(H,50,51)/t23-,24-,25-,26+,27-,28+,29-,32-,33-,40-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	12	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
Chymotrypsin (Homo sapiens (Human))	BDBM50120288 (CHEMBL432978 | Peptide Boronic Acid analogue) Show SMILES CCCCC[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/C40H67BN6O11/c1-9-10-11-14-29(41-57-28-19-23-18-27(39(23,6)7)40(28,8)58-41)44-36(54)26-13-12-17-47(26)38(56)33(22(4)5)46-37(55)32(21(2)3)45-35(53)25(15-16-30(48)49)43-34(52)24(42)20-31(50)51/h21-29,32-33H,9-20,42H2,1-8H3,(H,43,52)(H,44,54)(H,45,53)(H,46,55)(H,48,49)(H,50,51)/t23-,24-,25-,26+,27-,28+,29-,32-,33-,40-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	380	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 pancreatic Serine protease chymotrypsin				Bioorg Med Chem Lett 12: 3199-202 (2002) BindingDB Entry DOI: 10.7270/Q2R49Q38
					More data for this Ligand-Target Pair