BDBM1588 2-cyclopropyl-7-(pyrrolidin-1-ylmethyl)-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-10-one::Nevirapin 4-substituted deriv. 4k::ll-Cyclopropyl-5,ll-dihydro-4-( 1-pyrrolidinylmethy1)-6H-dipyrido[3,2-b:2 ,3 -e][ 1,4]diazepin-6-one

SMILES: O=C1Nc2c(CN3CCCC3)ccnc2N(C2CC2)c2ncccc12

InChI Key: InChIKey=DSXLYCCTCAHHJC-UHFFFAOYSA-N

Data: 1 IC50

PDB links: 13 PDB IDs contain inhibitors having a similarity of 90% to this monomer.

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 = 1588   

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)	BDBM1588 (2-cyclopropyl-7-(pyrrolidin-1-ylmethyl)-2,4,9,15-t...) Show SMILES O=C1Nc2c(CN3CCCC3)ccnc2N(C2CC2)c2ncccc12 Show InChI InChI=1S/C19H21N5O/c25-19-15-4-3-8-20-17(15)24(14-5-6-14)18-16(22-19)13(7-9-21-18)12-23-10-1-2-11-23/h3-4,7-9,14H,1-2,5-6,10-12H2,(H,22,25)	PDB MMDB B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	7.8	22
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