BDBM50537579 CHEMBL4635161

SMILES: CN(C)CCN(C)[C@@H]1Cn2c(c(C3CCCCC3)c3ccc(cc23)C(O)=O)-c2ccccc2O1

InChI Key: InChIKey=XMIYWNDRPVWXEN-VWLOTQADSA-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 = 50537579   

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)	BDBM50537579 (CHEMBL4635161) Show SMILES CN(C)CCN(C)[C@@H]1Cn2c(c(C3CCCCC3)c3ccc(cc23)C(O)=O)-c2ccccc2O1 |r| Show InChI InChI=1S/C28H35N3O3/c1-29(2)15-16-30(3)25-18-31-23-17-20(28(32)33)13-14-21(23)26(19-9-5-4-6-10-19)27(31)22-11-7-8-12-24(22)34-25/h7-8,11-14,17,19,25H,4-6,9-10,15-16,18H2,1-3H3,(H,32,33)/t25-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	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 wild-type reverse transcriptase.				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