BDBM50081627 CHEMBL442696::N-(2-{4-[(3-Hydroxymethyl-pyridin-2-yl)-methyl-amino]-piperidine-1-carbonyl}-1H-indol-5-yl)-methanesulfonamide

SMILES: CN(C1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1)c1ncccc1CO

InChI Key: InChIKey=RFFVRHGYDOPFSV-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50081627   

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)	BDBM50081627 (CHEMBL442696 | N-(2-{4-[(3-Hydroxymethyl-pyridin-2...) Show SMILES CN(C1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1)c1ncccc1CO Show InChI InChI=1S/C22H27N5O4S/c1-26(21-15(14-28)4-3-9-23-21)18-7-10-27(11-8-18)22(29)20-13-16-12-17(25-32(2,30)31)5-6-19(16)24-20/h3-6,9,12-13,18,24-25,28H,7-8,10-11,14H2,1-2H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia & Upjohn Curated by ChEMBL					Assay Description Inhibition of Reverse transcriptase (Y181C) using poly(rA)600:oligo(dT)10 as template primer.				J Med Chem 42: 4140-9 (1999) BindingDB Entry DOI: 10.7270/Q2000192
					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase (Human immunodeficiency virus 1)	BDBM50081627 (CHEMBL442696 | N-(2-{4-[(3-Hydroxymethyl-pyridin-2...) Show SMILES CN(C1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1)c1ncccc1CO Show InChI InChI=1S/C22H27N5O4S/c1-26(21-15(14-28)4-3-9-23-21)18-7-10-27(11-8-18)22(29)20-13-16-12-17(25-32(2,30)31)5-6-19(16)24-20/h3-6,9,12-13,18,24-25,28H,7-8,10-11,14H2,1-2H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia & Upjohn Curated by ChEMBL					Assay Description Inhibition of Reverse transcriptase (P236L) using poly(rA)600:oligo(dT)10 as template primer.				J Med Chem 42: 4140-9 (1999) BindingDB Entry DOI: 10.7270/Q2000192
					More data for this Ligand-Target Pair