BDBM50131392 (R)-1-{[(R)-1-((S)-2-tert-Butoxycarbonylamino-3,3-dimethyl-butyryl)-4-(quinolin-4-yloxy)-pyrrolidine-2-carbonyl]-amino}-2-vinyl-cyclopropanecarboxylic acid::CHEMBL330117

SMILES: CC(C)(C)OC(=O)N[C@H](C(=O)N1C[C@@H](CC1C(=O)N[C@@]1(CC1C=C)C(O)=O)Oc1ccnc2ccccc12)C(C)(C)C

InChI Key: InChIKey=DDFUZAULQGHJAW-BORQCETNSA-N

Data: 2 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 = 50131392   

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)	BDBM50131392 ((R)-1-{[(R)-1-((S)-2-tert-Butoxycarbonylamino-3,3-...) Show SMILES CC(C)(C)OC(=O)N[C@H](C(=O)N1C[C@@H](CC1C(=O)N[C@@]1(CC1C=C)C(O)=O)Oc1ccnc2ccccc12)C(C)(C)C Show InChI InChI=1S/C31H40N4O7/c1-8-18-16-31(18,27(38)39)34-25(36)22-15-19(41-23-13-14-32-21-12-10-9-11-20(21)23)17-35(22)26(37)24(29(2,3)4)33-28(40)42-30(5,6)7/h8-14,18-19,22,24H,1,15-17H2,2-7H3,(H,33,40)(H,34,36)(H,38,39)/t18?,19-,22?,24-,31-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	330	n/a	n/a	n/a	n/a	n/a	n/a
MRL Rome Curated by ChEMBL					Assay Description Inhibitory concentration against hepatitis C virus (HCV) NS3 protease				Bioorg Med Chem Lett 13: 2745-8 (2003) BindingDB Entry DOI: 10.7270/Q2DZ07Q9
					More data for this Ligand-Target Pair
Hepatitis C virus serine protease, NS3/NS4A (Hepatitis C virus)	BDBM50131392 ((R)-1-{[(R)-1-((S)-2-tert-Butoxycarbonylamino-3,3-...) Show SMILES CC(C)(C)OC(=O)N[C@H](C(=O)N1C[C@@H](CC1C(=O)N[C@@]1(CC1C=C)C(O)=O)Oc1ccnc2ccccc12)C(C)(C)C Show InChI InChI=1S/C31H40N4O7/c1-8-18-16-31(18,27(38)39)34-25(36)22-15-19(41-23-13-14-32-21-12-10-9-11-20(21)23)17-35(22)26(37)24(29(2,3)4)33-28(40)42-30(5,6)7/h8-14,18-19,22,24H,1,15-17H2,2-7H3,(H,33,40)(H,34,36)(H,38,39)/t18?,19-,22?,24-,31-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	<500	n/a	n/a	n/a	n/a	n/a	n/a
MRL Rome Curated by ChEMBL					Assay Description Inhibitory concentration of the compound against hepatitis C virus (HCV) NS3 protease				Bioorg Med Chem Lett 13: 2745-8 (2003) BindingDB Entry DOI: 10.7270/Q2DZ07Q9
					More data for this Ligand-Target Pair