BDBM50109999 (S)-4-[(S)-3-Carboxy-2-(3-carboxy-propionylamino)-propionylamino]-4-[(S)-1-((S)-2,2-dimethyl-1-{(S)-3-methyl-1-[(S)-1-((S)-1-phenyl-propylaminooxalyl)-pentylcarbamoyl]-butylcarbamoyl}-propylcarbamoyl)-2-o-tolyl-ethylcarbamoyl]-butyric acid::CHEMBL216441

SMILES: CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)CCC(O)=O)C(C)(C)C)C(=O)C(=O)N[C@@H](CC)c1ccccc1

InChI Key: InChIKey=MVBQLXVNVFFWFF-MIKGUVKESA-N

Data: 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 1 hit for monomerid = 50109999   

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)	BDBM50109999 ((S)-4-[(S)-3-Carboxy-2-(3-carboxy-propionylamino)-...) Show SMILES CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)CCC(O)=O)C(C)(C)C)C(=O)C(=O)N[C@@H](CC)c1ccccc1 Show InChI InChI=1S/C51H73N7O14/c1-9-11-21-34(43(66)49(71)53-33(10-2)31-18-13-12-14-19-31)54-46(68)36(26-29(3)4)57-50(72)44(51(6,7)8)58-48(70)37(27-32-20-16-15-17-30(32)5)56-45(67)35(22-24-40(60)61)55-47(69)38(28-42(64)65)52-39(59)23-25-41(62)63/h12-20,29,33-38,44H,9-11,21-28H2,1-8H3,(H,52,59)(H,53,71)(H,54,68)(H,55,69)(H,56,67)(H,57,72)(H,58,70)(H,60,61)(H,62,63)(H,64,65)/t33-,34-,35-,36-,37-,38-,44+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Roche Discovery Welwyn Curated by ChEMBL					Assay Description Inhibitory concentration of the compound against Hepatitis C virus NS3 proteinase				Bioorg Med Chem Lett 12: 641-3 (2002) BindingDB Entry DOI: 10.7270/Q2SN089N
					More data for this Ligand-Target Pair