BDBM50055471 CHEMBL149055::N-{2-[4-(3-Isopropoxy-pyridin-2-yl)-piperazine-1-carbonyl]-1H-indol-5-yl}-methanesulfonamide

SMILES: CC(C)Oc1cccnc1N1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1

InChI Key: InChIKey=VAWSEGHKZHKORD-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 = 50055471   

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
Human immunodeficiency virus type 1 reverse transcriptase (Human immunodeficiency virus 1)	BDBM50055471 (CHEMBL149055 | N-{2-[4-(3-Isopropoxy-pyridin-2-yl)...) Show SMILES CC(C)Oc1cccnc1N1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1 Show InChI InChI=1S/C22H27N5O4S/c1-15(2)31-20-5-4-8-23-21(20)26-9-11-27(12-10-26)22(28)19-14-16-13-17(25-32(3,29)30)6-7-18(16)24-19/h4-8,13-15,24-25H,9-12H2,1-3H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia & Upjohn Curated by ChEMBL					Assay Description In vitro for inhibition of HIV-1 reverse transcriptase.				J Med Chem 39: 5267-75 (1997) Article DOI: 10.1021/jm960269m BindingDB Entry DOI: 10.7270/Q2XK8DPT
					More data for this Ligand-Target Pair