BDBM50168052 (4-Iodo-phenyl)-thiocarbamic acid 2-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-ethyl ester::CHEMBL191910::O-2-(1,3-dioxoisoindolin-2-yl)ethyl4-iodophenylcarbamothioate::O-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl] (4-iodophenyl)thiocarbamate

SMILES: Ic1ccc(NC(=S)OCCN2C(=O)c3ccccc3C2=O)cc1

InChI Key: InChIKey=CYYIBMGIJWXZEP-UHFFFAOYSA-N

Data: 4 IC50

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 4 hits for monomerid = 50168052   

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)	BDBM50168052 ((4-Iodo-phenyl)-thiocarbamic acid 2-(1,3-dioxo-1,3...) Show SMILES Ic1ccc(NC(=S)OCCN2C(=O)c3ccccc3C2=O)cc1 Show InChI InChI=1S/C17H13IN2O3S/c18-11-5-7-12(8-6-11)19-17(24)23-10-9-20-15(21)13-3-1-2-4-14(13)16(20)22/h1-8H,9-10H2,(H,19,24)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Genova Curated by ChEMBL					Assay Description Inhibitory concentration against HIV-1 mutant reverse transcriptase (K103R)				J Med Chem 48: 3858-73 (2005) Article DOI: 10.1021/jm049252r BindingDB Entry DOI: 10.7270/Q2GH9JQK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Human immunodeficiency virus type 1 reverse transcriptase (Human immunodeficiency virus 1)	BDBM50168052 ((4-Iodo-phenyl)-thiocarbamic acid 2-(1,3-dioxo-1,3...) Show SMILES Ic1ccc(NC(=S)OCCN2C(=O)c3ccccc3C2=O)cc1 Show InChI InChI=1S/C17H13IN2O3S/c18-11-5-7-12(8-6-11)19-17(24)23-10-9-20-15(21)13-3-1-2-4-14(13)16(20)22/h1-8H,9-10H2,(H,19,24)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Genova Curated by ChEMBL					Assay Description Inhibitory concentration against HIV-1 mutant reverse transcriptase (K103N+Y181C)				J Med Chem 48: 3858-73 (2005) Article DOI: 10.1021/jm049252r BindingDB Entry DOI: 10.7270/Q2GH9JQK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Human immunodeficiency virus type 1 reverse transcriptase (Human immunodeficiency virus 1)	BDBM50168052 ((4-Iodo-phenyl)-thiocarbamic acid 2-(1,3-dioxo-1,3...) Show SMILES Ic1ccc(NC(=S)OCCN2C(=O)c3ccccc3C2=O)cc1 Show InChI InChI=1S/C17H13IN2O3S/c18-11-5-7-12(8-6-11)19-17(24)23-10-9-20-15(21)13-3-1-2-4-14(13)16(20)22/h1-8H,9-10H2,(H,19,24)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Genova Curated by ChEMBL					Assay Description Inhibitory concentration against HIV-1 mutant reverse transcriptase (Y181C)				J Med Chem 48: 3858-73 (2005) Article DOI: 10.1021/jm049252r BindingDB Entry DOI: 10.7270/Q2GH9JQK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Human immunodeficiency virus type 1 reverse transcriptase (Human immunodeficiency virus 1)	BDBM50168052 ((4-Iodo-phenyl)-thiocarbamic acid 2-(1,3-dioxo-1,3...) Show SMILES Ic1ccc(NC(=S)OCCN2C(=O)c3ccccc3C2=O)cc1 Show InChI InChI=1S/C17H13IN2O3S/c18-11-5-7-12(8-6-11)19-17(24)23-10-9-20-15(21)13-3-1-2-4-14(13)16(20)22/h1-8H,9-10H2,(H,19,24)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Genova Curated by ChEMBL					Assay Description Inhibitory concentration against HIV-1 wild type reverse transcriptase (IIIB)				J Med Chem 48: 3858-73 (2005) Article DOI: 10.1021/jm049252r BindingDB Entry DOI: 10.7270/Q2GH9JQK
					More data for this Ligand-Target Pair				3D Structure (crystal)