BDBM1618 2-ethyl-7-(hydroxymethyl)-5-methoxy-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3(8),4,6,11,13-hexaen-10-one::5,ll-Dihydro- 11-ethyl-4-(hydroxymethyl)-2-methoxy-GH-dipyrid0[3,2-b:2 ,3 -e][ 1,4]diazepin-6-one::Nevirapin 2,4-Disubstituted deriv. 11e

SMILES: CCN1c2nc(OC)cc(CO)c2NC(=O)c2cccnc12

InChI Key: InChIKey=JYDIPPPAHISWJQ-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 = 1618   

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)	BDBM1618 (2-ethyl-7-(hydroxymethyl)-5-methoxy-2,4,9,15-tetra...) Show SMILES CCN1c2nc(OC)cc(CO)c2NC(=O)c2cccnc12 Show InChI InChI=1S/C15H16N4O3/c1-3-19-13-10(5-4-6-16-13)15(21)18-12-9(8-20)7-11(22-2)17-14(12)19/h4-7,20H,3,8H2,1-2H3,(H,18,21)	PDB MMDB B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc.					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 38: 4839-47 (1995) Article DOI: 10.1021/jm00024a011 BindingDB Entry DOI: 10.7270/Q2ZK5DV7
					More data for this Ligand-Target Pair