BindingDB logo
myBDB logout

BDBM50517393 CHEMBL4469840

SMILES: Cc1cc(cc(C)c1Oc1nc(NC2CCN(Cc3ccc(N)cc3)CC2)nc2CSCc12)C#N

InChI Key: InChIKey=MAEGTRNSTWAOTJ-UHFFFAOYSA-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 = 50517393   
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
Reverse transcriptase


(Human immunodeficiency virus 1)		BDBM50517393
PNG
(CHEMBL4469840)
Show SMILES Cc1cc(cc(C)c1Oc1nc(NC2CCN(Cc3ccc(N)cc3)CC2)nc2CSCc12)C#N
Show InChI InChI=1S/C27H30N6OS/c1-17-11-20(13-28)12-18(2)25(17)34-26-23-15-35-16-24(23)31-27(32-26)30-22-7-9-33(10-8-22)14-19-3-5-21(29)6-4-19/h3-6,11-12,22H,7-10,14-16,29H2,1-2H3,(H,30,31,32)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 115n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV1 reverse transcriptase using (DIG)-dUTP and biotin-labeled dNTPs as substrate after 1 hr by ELISA

J Med Chem 62: 1484-1501 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01656
More data for this
Ligand-Target Pair