Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM286102'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM286102 ((2S,3R)-2-((S)-3-(4-chlorophenyl)-N′-((4-chl...) Show SMILES C[C@@H](O)[C@H](N\C(=N/Sc1ccc(Cl)cc1)N1C[C@@H](C(=N1)c1ccc(Cl)cc1)c1ccccc1)C(N)=O |r,c:19| Show InChI InChI=1S/C26H25Cl2N5O2S/c1-16(34)23(25(29)35)30-26(32-36-21-13-11-20(28)12-14-21)33-15-22(17-5-3-2-4-6-17)24(31-33)18-7-9-19(27)10-8-18/h2-14,16,22-23,34H,15H2,1H3,(H2,29,35)(H,30,32)/t16-,22-,23+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Jenrin Discovery, Inc. US Patent					Assay Description Compound binding to CB1R was assessed in competition displacement assays using [3H]CP-55,940 as the radioligand and crude membranes from mouse brain....				US Patent US9517228 (2016) BindingDB Entry DOI: 10.7270/Q2M90BPD
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