BDBM1885 3-(5-bromopyridin-2-yl)-1-(2-phenylethyl)thiourea::CHEMBL317356::N-(2-Phenethyl)-N -(2-(5-bromopyridyl))thiourea::PETT Analog 52::cid_2429552

SMILES: Brc1ccc(NC(=S)NCCc2ccccc2)nc1

InChI Key: InChIKey=FKDHVFZSRUETTG-UHFFFAOYSA-N

Data: 5 IC50  1 Kd

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 6 hits for monomerid = 1885   

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)	BDBM1885 (3-(5-bromopyridin-2-yl)-1-(2-phenylethyl)thiourea ...) Show SMILES Brc1ccc(NC(=S)NCCc2ccccc2)nc1 Show InChI InChI=1S/C14H14BrN3S/c15-12-6-7-13(17-10-12)18-14(19)16-9-8-11-4-2-1-3-5-11/h1-7,10H,8-9H2,(H2,16,17,18,19)	PDB MMDB B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	7.8	37
Lilly Research Laboratories					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: 4929-36 (1995) Article DOI: 10.1021/jm00025a010 BindingDB Entry DOI: 10.7270/Q2639MXG
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM1885 (3-(5-bromopyridin-2-yl)-1-(2-phenylethyl)thiourea ...) Show SMILES Brc1ccc(NC(=S)NCCc2ccccc2)nc1 Show InChI InChI=1S/C14H14BrN3S/c15-12-6-7-13(17-10-12)18-14(19)16-9-8-11-4-2-1-3-5-11/h1-7,10H,8-9H2,(H2,16,17,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	7.4	23
PCMD Curated by PubChem BioAssay					Assay Description Factor XIa (0.23 ug/mL) was incubated with Boc-Glu-Ala-Arg-AMC substrate (15 uM) in 10 uL of assay buffer for 2 hr at room temperature. Read fluoresc...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2H993J6
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM1885 (3-(5-bromopyridin-2-yl)-1-(2-phenylethyl)thiourea ...) Show SMILES Brc1ccc(NC(=S)NCCc2ccccc2)nc1 Show InChI InChI=1S/C14H14BrN3S/c15-12-6-7-13(17-10-12)18-14(19)16-9-8-11-4-2-1-3-5-11/h1-7,10H,8-9H2,(H2,16,17,18,19)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Beactica AB Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase				J Med Chem 54: 709-18 (2011) Article DOI: 10.1021/jm101052g BindingDB Entry DOI: 10.7270/Q22B91T8
					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase (Human immunodeficiency virus 1)	BDBM1885 (3-(5-bromopyridin-2-yl)-1-(2-phenylethyl)thiourea ...) Show SMILES Brc1ccc(NC(=S)NCCc2ccccc2)nc1 Show InChI InChI=1S/C14H14BrN3S/c15-12-6-7-13(17-10-12)18-14(19)16-9-8-11-4-2-1-3-5-11/h1-7,10H,8-9H2,(H2,16,17,18,19)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute Curated by ChEMBL					Assay Description Inhibition of recombinant HIV-1 reverse transcriptase				Bioorg Med Chem Lett 10: 87-90 (2000) BindingDB Entry DOI: 10.7270/Q27080NB
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM1885 (3-(5-bromopyridin-2-yl)-1-(2-phenylethyl)thiourea ...) Show SMILES Brc1ccc(NC(=S)NCCc2ccccc2)nc1 Show InChI InChI=1S/C14H14BrN3S/c15-12-6-7-13(17-10-12)18-14(19)16-9-8-11-4-2-1-3-5-11/h1-7,10H,8-9H2,(H2,16,17,18,19)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a
Beactica AB Curated by ChEMBL					Assay Description Binding affinity to HIV1 reverse transcriptase by surface plasmon resonance based biosensor assay				J Med Chem 54: 709-18 (2011) Article DOI: 10.1021/jm101052g BindingDB Entry DOI: 10.7270/Q22B91T8
					More data for this Ligand-Target Pair
Kallikrein 5 (Homo sapiens (Human))	BDBM1885 (3-(5-bromopyridin-2-yl)-1-(2-phenylethyl)thiourea ...) Show SMILES Brc1ccc(NC(=S)NCCc2ccccc2)nc1 Show InChI InChI=1S/C14H14BrN3S/c15-12-6-7-13(17-10-12)18-14(19)16-9-8-11-4-2-1-3-5-11/h1-7,10H,8-9H2,(H2,16,17,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
PCMD Curated by PubChem BioAssay					Assay Description Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Scott L. Diamond, University of Pennsy...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2GH9GC8
					More data for this Ligand-Target Pair