BDBM50096733 4-[3-Carboxy-2-(3-carboxy-propionylamino)-propionylamino]-4-[1-(2,2-dimethyl-1-{3-methyl-1-[3,3,3-trifluoro-1-(1-phenyl-propylaminooxalyl)-propylcarbamoyl]-butylcarbamoyl}-propylcarbamoyl)-2-o-tolyl-ethylcarbamoyl]-butyric acid::CHEMBL405304

SMILES: CC[C@H](NC(=O)C(=O)[C@@H](CC(F)(F)F)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)c1ccccc1

InChI Key: InChIKey=HKSISWCCRDBUAA-WYJYNXRBSA-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 = 50096733   

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)	BDBM50096733 (4-[3-Carboxy-2-(3-carboxy-propionylamino)-propiony...) Show SMILES CC[C@H](NC(=O)C(=O)[C@@H](CC(F)(F)F)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)c1ccccc1 Show InChI InChI=1S/C49H66F3N7O14/c1-8-30(28-15-10-9-11-16-28)54-46(72)40(67)35(25-49(50,51)52)58-43(69)32(22-26(2)3)57-47(73)41(48(5,6)7)59-45(71)33(23-29-17-13-12-14-27(29)4)56-42(68)31(18-20-37(61)62)55-44(70)34(24-39(65)66)53-36(60)19-21-38(63)64/h9-17,26,30-35,41H,8,18-25H2,1-7H3,(H,53,60)(H,54,72)(H,55,70)(H,56,68)(H,57,73)(H,58,69)(H,59,71)(H,61,62)(H,63,64)(H,65,66)/t30-,31-,32-,33-,34-,35+,41+/m0/s1	PDB GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Roche Discover Welwyn Curated by ChEMBL					Assay Description Binding affinity towards 5-hydroxytryptamine 3 receptor				Bioorg Med Chem Lett 11: 355-7 (2001) BindingDB Entry DOI: 10.7270/Q2WQ0322
					More data for this Ligand-Target Pair