BDBM50537581 CHEMBL4638107

SMILES: [H][C@@]12CCN(CCN(C)C)[C@@]1([H])c1cc(OC)ccc1-c1c(C3CCCCC3)c3ccc(cc3n1CC2)C(O)=O

InChI Key: InChIKey=LSRZIOVMDLBALO-SMSORMJASA-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 = 50537581   

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
Nonstructural protein 5A (Hepatitis C virus)	BDBM50537581 (CHEMBL4638107) Show SMILES [H][C@@]12CCN(CCN(C)C)[C@@]1([H])c1cc(OC)ccc1-c1c(C3CCCCC3)c3ccc(cc3n1CC2)C(O)=O |r| Show InChI InChI=1S/C32H41N3O3/c1-33(2)17-18-34-15-13-22-14-16-35-28-19-23(32(36)37)9-11-26(28)29(21-7-5-4-6-8-21)31(35)25-12-10-24(38-3)20-27(25)30(22)34/h9-12,19-22,30H,4-8,13-18H2,1-3H3,(H,36,37)/t22-,30+/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Pharmaceutical Education and Research Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 Mutant Reverse transcriptase G190A				Eur J Med Chem 164: 576-601 (2019) Article DOI: 10.1007/s00044-005-0131-1 BindingDB Entry DOI: 10.7270/Q2RR224D
					More data for this Ligand-Target Pair