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BDBM50537572 CHEMBL1087567

SMILES: Oc1ccc2[nH]cc(C[C@H](NC(=O)c3ccc4n(C5CCCCC5)c(nc4c3)-c3ccco3)c3cscn3)c2c1

InChI Key: InChIKey=XSBJJPNRCHZCEH-VWLOTQADSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50537572   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Nonstructural protein 5A


(Hepatitis C virus)		BDBM50537572
PNG
(CHEMBL1087567)
Show SMILES Oc1ccc2[nH]cc(C[C@H](NC(=O)c3ccc4n(C5CCCCC5)c(nc4c3)-c3ccco3)c3cscn3)c2c1 |r|
Show InChI InChI=1S/C31H29N5O3S/c37-22-9-10-24-23(15-22)20(16-32-24)14-25(27-17-40-18-33-27)35-31(38)19-8-11-28-26(13-19)34-30(29-7-4-12-39-29)36(28)21-5-2-1-3-6-21/h4,7-13,15-18,21,25,32,37H,1-3,5-6,14H2,(H,35,38)/t25-/m0/s1
PDB

UniProtKB/TrEMBL

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 300n/an/an/an/an/an/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