BDBM50354805 CHEMBL1834020

SMILES: Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NCC1CCC(CNS(N)(=O)=O)CC1

InChI Key: InChIKey=RHPHCZQYECTNKO-UHFFFAOYSA-N

Data: 3 KI

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 3 hits for monomerid = 50354805   

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
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50354805 (CHEMBL1834020) Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NCC1CCC(CNS(N)(=O)=O)CC1 |(-11.78,-41.21,;-10.87,-42.46,;-9.33,-42.45,;-8.85,-43.92,;-10.09,-44.83,;-11.35,-43.92,;-12.73,-44.61,;-14.06,-43.85,;-15.38,-44.63,;-15.37,-46.17,;-16.69,-46.96,;-14.01,-46.93,;-12.7,-46.14,;-10.08,-46.37,;-11.42,-47.14,;-11.42,-48.69,;-10.08,-49.46,;-10.08,-51,;-8.74,-48.69,;-8.75,-47.14,;-7.42,-46.36,;-8.57,-41.11,;-9.35,-39.79,;-7.03,-41.1,;-6.25,-42.43,;-4.71,-42.42,;-3.94,-43.75,;-2.41,-43.74,;-1.64,-42.41,;-.1,-42.4,;.67,-41.06,;2.21,-41.06,;2.97,-39.72,;2.19,-42.59,;3.74,-41.05,;-2.41,-41.07,;-3.96,-41.08,)| Show InChI InChI=1S/C25H28Cl3N5O3S/c1-15-23(25(34)30-13-16-2-4-17(5-3-16)14-31-37(29,35)36)32-33(22-11-10-20(27)12-21(22)28)24(15)18-6-8-19(26)9-7-18/h6-12,16-17,31H,2-5,13-14H2,1H3,(H,30,34)(H2,29,35,36)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
RTI International Curated by ChEMBL					Assay Description Displacement of [3H]-SR141716A from human CB1 receptor expressed in CHO-K1 cells after 1 hr by liquid scintillation counting				Bioorg Med Chem Lett 21: 5711-4 (2011) Article DOI: 10.1016/j.bmcl.2011.08.032 BindingDB Entry DOI: 10.7270/Q2V988HJ
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50354805 (CHEMBL1834020) Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NCC1CCC(CNS(N)(=O)=O)CC1 |(-11.78,-41.21,;-10.87,-42.46,;-9.33,-42.45,;-8.85,-43.92,;-10.09,-44.83,;-11.35,-43.92,;-12.73,-44.61,;-14.06,-43.85,;-15.38,-44.63,;-15.37,-46.17,;-16.69,-46.96,;-14.01,-46.93,;-12.7,-46.14,;-10.08,-46.37,;-11.42,-47.14,;-11.42,-48.69,;-10.08,-49.46,;-10.08,-51,;-8.74,-48.69,;-8.75,-47.14,;-7.42,-46.36,;-8.57,-41.11,;-9.35,-39.79,;-7.03,-41.1,;-6.25,-42.43,;-4.71,-42.42,;-3.94,-43.75,;-2.41,-43.74,;-1.64,-42.41,;-.1,-42.4,;.67,-41.06,;2.21,-41.06,;2.97,-39.72,;2.19,-42.59,;3.74,-41.05,;-2.41,-41.07,;-3.96,-41.08,)| Show InChI InChI=1S/C25H28Cl3N5O3S/c1-15-23(25(34)30-13-16-2-4-17(5-3-16)14-31-37(29,35)36)32-33(22-11-10-20(27)12-21(22)28)24(15)18-6-8-19(26)9-7-18/h6-12,16-17,31H,2-5,13-14H2,1H3,(H,30,34)(H2,29,35,36)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	135	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
RTI International Curated by ChEMBL					Assay Description Displacement of [3H]-CP55940 from human CB1 receptor expressed in CHO-K1 cells after 1 hr by liquid scintillation spectrometry				Bioorg Med Chem Lett 21: 5711-4 (2011) Article DOI: 10.1016/j.bmcl.2011.08.032 BindingDB Entry DOI: 10.7270/Q2V988HJ
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50354805 (CHEMBL1834020) Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NCC1CCC(CNS(N)(=O)=O)CC1 |(-11.78,-41.21,;-10.87,-42.46,;-9.33,-42.45,;-8.85,-43.92,;-10.09,-44.83,;-11.35,-43.92,;-12.73,-44.61,;-14.06,-43.85,;-15.38,-44.63,;-15.37,-46.17,;-16.69,-46.96,;-14.01,-46.93,;-12.7,-46.14,;-10.08,-46.37,;-11.42,-47.14,;-11.42,-48.69,;-10.08,-49.46,;-10.08,-51,;-8.74,-48.69,;-8.75,-47.14,;-7.42,-46.36,;-8.57,-41.11,;-9.35,-39.79,;-7.03,-41.1,;-6.25,-42.43,;-4.71,-42.42,;-3.94,-43.75,;-2.41,-43.74,;-1.64,-42.41,;-.1,-42.4,;.67,-41.06,;2.21,-41.06,;2.97,-39.72,;2.19,-42.59,;3.74,-41.05,;-2.41,-41.07,;-3.96,-41.08,)| Show InChI InChI=1S/C25H28Cl3N5O3S/c1-15-23(25(34)30-13-16-2-4-17(5-3-16)14-31-37(29,35)36)32-33(22-11-10-20(27)12-21(22)28)24(15)18-6-8-19(26)9-7-18/h6-12,16-17,31H,2-5,13-14H2,1H3,(H,30,34)(H2,29,35,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.31E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
RTI International Curated by ChEMBL					Assay Description Displacement of [3H]-CP55940 from human CB2 receptor expressed in CHO-K1 cells after 1 hr by liquid scintillation spectrometry				Bioorg Med Chem Lett 21: 5711-4 (2011) Article DOI: 10.1016/j.bmcl.2011.08.032 BindingDB Entry DOI: 10.7270/Q2V988HJ
					More data for this Ligand-Target Pair