BDBM50055475 CHEMBL424141::{4-[(3-Ethylamino-pyridin-2-yl)-methyl-amino]-piperidin-1-yl}-(1H-indol-2-yl)-methanone

SMILES: CCNc1cccnc1N(C)C1CCN(CC1)C(=O)c1cc2ccccc2[nH]1

InChI Key: InChIKey=NEWBERNJFSGIGC-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 = 50055475   

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)	BDBM50055475 (CHEMBL424141 | {4-[(3-Ethylamino-pyridin-2-yl)-met...) Show SMILES CCNc1cccnc1N(C)C1CCN(CC1)C(=O)c1cc2ccccc2[nH]1 Show InChI InChI=1S/C22H27N5O/c1-3-23-19-9-6-12-24-21(19)26(2)17-10-13-27(14-11-17)22(28)20-15-16-7-4-5-8-18(16)25-20/h4-9,12,15,17,23,25H,3,10-11,13-14H2,1-2H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20E+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