BDBM50370550 CHEMBL1791287

SMILES: CCCCC(NC(=O)[C@H]1CCCN1C(=O)[C@H](CS)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(c1ccccc1)c1ccccc1)[C@H](C)CC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(N)=O

InChI Key: InChIKey=BZVYIEQNRWILPS-XWBJVNCZSA-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 = 50370550   

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)	BDBM50370550 (CHEMBL1791287) Show SMILES CCCCC(NC(=O)[C@H]1CCCN1C(=O)[C@H](CS)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(c1ccccc1)c1ccccc1)[C@H](C)CC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(N)=O Show InChI InChI=1S/C64H93N11O17S/c1-7-9-26-41(56(84)69-45(33-50(81)82)60(88)72-52(35(3)4)55(65)83)68-61(89)47-27-19-30-75(47)64(92)46(34-93)71-58(86)43(31-38-20-13-10-14-21-38)70-62(90)53(36(5)8-2)73-63(91)54(51(39-22-15-11-16-23-39)40-24-17-12-18-25-40)74-57(85)42(28-29-48(77)78)67-59(87)44(32-49(79)80)66-37(6)76/h11-12,15-18,22-25,35-36,38,41-47,51-54,93H,7-10,13-14,19-21,26-34H2,1-6H3,(H2,65,83)(H,66,76)(H,67,87)(H,68,89)(H,69,84)(H,70,90)(H,71,86)(H,72,88)(H,73,91)(H,74,85)(H,77,78)(H,79,80)(H,81,82)/t36-,41?,42+,43+,44+,45+,46+,47-,52+,53+,54+/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Wollongong Curated by ChEMBL					Assay Description Inhibitory concentration against hepatitis C virus NS3 protease				J Med Chem 48: 1-20 (2005) Article DOI: 10.1021/jm0400101 BindingDB Entry DOI: 10.7270/Q2XP75Q1
					More data for this Ligand-Target Pair