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SMILES: Cc1cccc(c1)C12SCCN1C(=O)c1ccccc21

InChI Key: InChIKey=FQVDJZWFSZSGGA-UHFFFAOYSA-N

PDB links: 1 PDB ID matches 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 2 hits for monomerid = 1368   

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
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM1368 (9b-(3-methylphenyl)-2H,3H,5H,9bH-isoindolo[1,2-b][...) Show SMILES Cc1cccc(c1)C12SCCN1C(=O)c1ccccc21 Show InChI InChI=1S/C17H15NOS/c1-12-5-4-6-13(11-12)17-15-8-3-2-7-14(15)16(19)18(17)9-10-20-17/h2-8,11H,9-10H2,1H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Mannheim GmbH Curated by ChEMBL					Assay Description In vitro for inhibitory activity against HIV-1 Reverse Transcriptase				J Med Chem 36: 726-32 (1993) BindingDB Entry DOI: 10.7270/Q2ZG6R9J
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gag-Pol polyprotein [588-1027]/[588-1147] (Human immunodeficiency virus type 1)	BDBM1368 (9b-(3-methylphenyl)-2H,3H,5H,9bH-isoindolo[1,2-b][...) Show SMILES Cc1cccc(c1)C12SCCN1C(=O)c1ccccc21 Show InChI InChI=1S/C17H15NOS/c1-12-5-4-6-13(11-12)17-15-8-3-2-7-14(15)16(19)18(17)9-10-20-17/h2-8,11H,9-10H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	7.7	37
Boehringer Mannheim GmbH					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 36: 2526-35 (1993) Article DOI: 10.1021/jm00069a011 BindingDB Entry DOI: 10.7270/Q2BR8QCZ
					More data for this Ligand-Target Pair				3D Structure (crystal)