BindingDB PrimarySearch

BDBM50279762 (5S)-9-chloro-5-methyl-6-(3-methylbut-2-enyl)-4,5,6,7-tetrahydroimidazo[4,5,1-jk][1,4]benzodiazepine-2(1H)-thione::(7R,8S)-4-Chloro-8-methyl-7-(3-methyl-but-2-enyl)-6,7,8,9-tetrahydro-2H-2,7,9a-triaza-benzo[cd]azulene-1-thione::(S)-4-Chloro-8-methyl-7-(3-methyl-but-2-enyl)-6,7,8,9-tetrahydro-2H-2,7,9a-triaza-benzo[cd]azulene-1-thione::(S)-7-Allyl-4-chloro-8-methyl-6,7,8,9-tetrahydro-2H-2,7,9a-triaza-benzo[cd]azulene-1-thione::14-(1-ethynyl)-9,15-dimethyl-(1S,9R,10R,11S,14R)-tetracyclo[8.7.0.02,7.011,15]heptadec-2(7)-en-14-ol::4-CHLORO-8-METHYL-7-(3-METHYL-BUT-2-ENYL)-6,7,8,9-TETRAHYDRO-2H-2,7,9A-TRIAZA-BENZO[CD]AZULENE-1-THIONE::4-Chloro-8-methyl-7-(3-methyl-but-1-enyl)-6,7,8,9-tetrahydro-2H-2,7,9a-triaza-benzo[cd]azulene-1-thione::4-Chloro-8-methyl-7-(3-methyl-but-2-enyl)-6,7,8,9-tetrahydro-2H-2,7,9a-triaza-benzo[cd]azulene-1-thione(9-Cl TIBO)::7-Allyl-9-chloro-8-methyl-6,7,8,9-tetrahydro-2H-2,7,9a-triaza-benzo[cd]azulen-1-one::9-Chloro-5-methyl-6-(3-methyl-but-2-enyl)-1,5,6,7-tetrahydro-benzo[e][1,4]diazepine-2-thione::CHEMBL293498::R-82913

SMILES: C[C@H]1Cn2c3c(CN1CC=C(C)C)cc(Cl)cc3[nH]c2=S

InChI Key: InChIKey=RCSLUNOLLUVOOG-NSHDSACASA-N

Data: 3 IC50 3 EC50

PDB links: 2 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50279762
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Human immunodeficiency virus type 1 reverse transcriptase (Human immunodeficiency virus 1)	BDBM50279762 ((5S)-9-chloro-5-methyl-6-(3-methylbut-2-enyl)-4,5,...) Show SMILES Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB PubMed	n/a	n/a	n/a	n/a	60	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Effective concentration required against wild type HIV-1 reverse transcriptase				Bioorg Med Chem Lett 11: 2799-802 (2001) BindingDB Entry DOI: 10.7270/Q2J103P4
Yale University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Human immunodeficiency virus type 1 reverse transcriptase (Human immunodeficiency virus 1)	BDBM50279762 ((5S)-9-chloro-5-methyl-6-(3-methylbut-2-enyl)-4,5,...) Show SMILES Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article	n/a	n/a	0.00500	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Tested for the inhibition of HIV-1 reverse transcriptase using a ribosomal RNA template				Citation and Details Article DOI: 10.1016/S0960-894X(01)81224-5 BindingDB Entry DOI: 10.7270/Q2VX0J1R
TBA					More data for this Ligand-Target Pair				3D Structure (crystal)
Human immunodeficiency virus type 1 reverse transcriptase (Human immunodeficiency virus 1)	BDBM50279762 ((5S)-9-chloro-5-methyl-6-(3-methylbut-2-enyl)-4,5,...) Show SMILES Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB PubMed	n/a	n/a	n/a	n/a	5.60E+3	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Effective concentration required against wild type HIV-1 reverse transcriptase (as per ref 7 in the article)				Bioorg Med Chem Lett 11: 2799-802 (2001) BindingDB Entry DOI: 10.7270/Q2J103P4
Yale University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Human immunodeficiency virus type 1 reverse transcriptase (Human immunodeficiency virus 1)	BDBM50279762 ((5S)-9-chloro-5-methyl-6-(3-methylbut-2-enyl)-4,5,...) Show SMILES Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	3.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Western Maryland College Curated by ChEMBL					Assay Description Inhibition of HIV-1 reverse transcriptase.				J Med Chem 41: 5272-86 (1999) Article DOI: 10.1021/jm9804174 BindingDB Entry DOI: 10.7270/Q28S4QM9
Western Maryland College Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Human immunodeficiency virus type 1 reverse transcriptase (Human immunodeficiency virus 1)	BDBM50279762 ((5S)-9-chloro-5-methyl-6-(3-methylbut-2-enyl)-4,5,...) Show SMILES Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	n/a	n/a	33	n/a	n/a	n/a	n/a
University of California at San Francisco Curated by ChEMBL					Assay Description Effective concentration against HIV-1 reverse transcriptase				J Med Chem 42: 868-81 (1999) Article DOI: 10.1021/jm980277y BindingDB Entry DOI: 10.7270/Q2TB17KD
					More data for this Ligand-Target Pair				3D Structure (crystal)
Human immunodeficiency virus type 1 reverse transcriptase (Human immunodeficiency virus 1)	BDBM50279762 ((5S)-9-chloro-5-methyl-6-(3-methylbut-2-enyl)-4,5,...) Show SMILES Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals R& D Curated by ChEMBL					Assay Description Inhibitory concentration against HIV-1 reverse transcriptase in scintillation proximity assay				J Med Chem 36: 4131-8 (1994) BindingDB Entry DOI: 10.7270/Q269746K
SmithKline Beecham Pharmaceuticals R& D Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)