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BDBM2307 5- or 6-Substituted Indole BHAP analogue 21::N-[2-({4-[3-(propan-2-ylamino)pyridin-2-yl]piperazin-1-yl}carbonyl)-1H-indol-6-yl]methanesulfonamide

SMILES: CC(C)Nc1cccnc1N1CCN(CC1)C(=O)c1cc2ccc(NS(C)(=O)=O)cc2[nH]1

InChI Key: InChIKey=MNBKLKMYYXAKHM-UHFFFAOYSA-N

Data: 1 IC50

PDB links: 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 = 2307   
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)
BDBM2307
PNG
(5- or 6-Substituted Indole BHAP analogue 21 | N-[2...)
Show SMILES CC(C)Nc1cccnc1N1CCN(CC1)C(=O)c1cc2ccc(NS(C)(=O)=O)cc2[nH]1
Show InChI InChI=1S/C22H28N6O3S/c1-15(2)24-18-5-4-8-23-21(18)27-9-11-28(12-10-27)22(29)20-13-16-6-7-17(14-19(16)25-20)26-32(3,30)31/h4-8,13-15,24-26H,9-12H2,1-3H3
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/a 500n/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.


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