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SMILES: Brc1ccc(NC(=S)NCC23CC4CC(CC(C4)C2)C3)nc1

InChI Key: InChIKey=URSGBORVHAHPDI-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50081461   
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/RNaseH


(Human immunodeficiency virus 1)		BDBM50081461
PNG
(1-Adamantan-1-ylmethyl-3-(5-bromo-pyridin-2-yl)-th...)
Show SMILES Brc1ccc(NC(=S)NCC23CC4CC(CC(C4)C2)C3)nc1 |TLB:13:14:18:12.11.17,17:12:19:16.18.15,17:16:19:12.11.13,THB:13:12:18:14.19.15|
Show InChI InChI=1S/C17H22BrN3S/c18-14-1-2-15(19-9-14)21-16(22)20-10-17-6-11-3-12(7-17)5-13(4-11)8-17/h1-2,9,11-13H,3-8,10H2,(H2,19,20,21,22)
PDB
MMDB

UniProtKB/TrEMBL

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PC cid
PC sid
UniChem

Similars
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant HIV-1 reverse transcriptase (rRT)

Bioorg Med Chem Lett 9: 2721-6 (1999)


BindingDB Entry DOI: 10.7270/Q2D50M49
More data for this
Ligand-Target Pair