BDBM50091971 1-((R)-1-Cyclohexyl-ethyl)-3-pyridin-2-yl-thiourea::CHEMBL305150::HI-543

SMILES: C[C@@H](NC(=S)Nc1ccccn1)C1CCCCC1

InChI Key: InChIKey=FBNIFIJMOXAQII-LLVKDONJSA-N

Data: 1 KI  1 IC50

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 = 50091971   

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)	BDBM50091971 (1-((R)-1-Cyclohexyl-ethyl)-3-pyridin-2-yl-thiourea...) Show SMILES C[C@@H](NC(=S)Nc1ccccn1)C1CCCCC1 Show InChI InChI=1S/C14H21N3S/c1-11(12-7-3-2-4-8-12)16-14(18)17-13-9-5-6-10-15-13/h5-6,9-12H,2-4,7-8H2,1H3,(H2,15,16,17,18)/t11-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute Curated by ChEMBL					Assay Description Binding affinity against HIV reverse transcriptase (Estimated Ki)				Bioorg Med Chem Lett 10: 2071-4 (2000) BindingDB Entry DOI: 10.7270/Q2668DQZ
					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase (Human immunodeficiency virus 1)	BDBM50091971 (1-((R)-1-Cyclohexyl-ethyl)-3-pyridin-2-yl-thiourea...) Show SMILES C[C@@H](NC(=S)Nc1ccccn1)C1CCCCC1 Show InChI InChI=1S/C14H21N3S/c1-11(12-7-3-2-4-8-12)16-14(18)17-13-9-5-6-10-15-13/h5-6,9-12H,2-4,7-8H2,1H3,(H2,15,16,17,18)/t11-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Institute Curated by ChEMBL					Assay Description Compound was evaluated for its inhibitory activity against recombinant HIV-1 Reverse transcriptase using cell free RT inhibition assay				Bioorg Med Chem Lett 10: 2071-4 (2000) BindingDB Entry DOI: 10.7270/Q2668DQZ
					More data for this Ligand-Target Pair