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BDBM2295 2-({4-[3-(propan-2-ylamino)pyridin-2-yl]piperazin-1-yl}carbonyl)-1H-indol-5-amine::5- or 6-Substituted Indole BHAP analogue 8

SMILES: CC(C)Nc1cccnc1N1CCN(CC1)C(=O)c1cc2cc(N)ccc2[nH]1

InChI Key: InChIKey=IYNANDLXMWZGBU-UHFFFAOYSA-N

Data: 1 IC50

PDB links: 1 PDB ID contains this monomer as substructures. 1 PDB ID contains inhibitors having a similarity of 90% to this monomer.

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 = 2295   
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
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM2295
PNG
(2-({4-[3-(propan-2-ylamino)pyridin-2-yl]piperazin-...)
Show SMILES CC(C)Nc1cccnc1N1CCN(CC1)C(=O)c1cc2cc(N)ccc2[nH]1
Show InChI InChI=1S/C21H26N6O/c1-14(2)24-18-4-3-7-23-20(18)26-8-10-27(11-9-26)21(28)19-13-15-12-16(22)5-6-17(15)25-19/h3-7,12-14,24-25H,8-11,22H2,1-2H3
PDB
MMDB

B.MOAD
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PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.00E+3n/an/an/an/a8.337



Upjohn



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 36: 1505-8 (1993)

More data for this
Ligand-Target Pair
3D
3D Structure (docked)