BDBM2303 5- or 6-Substituted Indole BHAP analogue 17::N-[2-({4-[3-(propan-2-ylamino)pyridin-2-yl]piperazin-1-yl}carbonyl)-1H-indol-5-yl]acetamide

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

InChI Key: InChIKey=NKKXMDRURXYWLQ-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 = 2303   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
HIV-1 Reverse Transcriptase (Human immunodeficiency virus type 1)	BDBM2303 (5- or 6-Substituted Indole BHAP analogue 17 | N-[2...) Show SMILES CC(C)Nc1cccnc1N1CCN(CC1)C(=O)c1cc2cc(NC(C)=O)ccc2[nH]1 Show InChI InChI=1S/C23H28N6O2/c1-15(2)25-20-5-4-8-24-22(20)28-9-11-29(12-10-28)23(31)21-14-17-13-18(26-16(3)30)6-7-19(17)27-21/h4-8,13-15,25,27H,9-12H2,1-3H3,(H,26,30)	PDB MMDB B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	8.3	37
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) Article DOI: 10.1021/jm00062a027 BindingDB Entry DOI: 10.7270/Q2N58JJ2
					More data for this Ligand-Target Pair				3D Structure (docked)