BDBM259994 US9512132, 30

SMILES: CC(C)(C)c1nc(N2CC[C@H](O)C2)c2cnn(Cc3ccccc3S(C)(=O)=O)c2n1

InChI Key: InChIKey=KBSQURJKOKJLAK-HNNXBMFYSA-N

Data: 4 EC50

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 4 hits for monomerid = 259994   

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 2 (Homo sapiens (Human))	BDBM259994 (US9512132, 30) Show SMILES CC(C)(C)c1nc(N2CC[C@H](O)C2)c2cnn(Cc3ccccc3S(C)(=O)=O)c2n1 |r| Show InChI InChI=1S/C21H27N5O3S/c1-21(2,3)20-23-18(25-10-9-15(27)13-25)16-11-22-26(19(16)24-20)12-14-7-5-6-8-17(14)30(4,28)29/h5-8,11,15,27H,9-10,12-13H2,1-4H3/t15-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	2.40	n/a	n/a	n/a	37
Hoffmann-La Roche Inc. US Patent					Assay Description CHO cells expressing human CB1 or CB2 receptors are seeded 17-24 hours prior to the experiment 50.000 cells per well in a black 96 well plate with fl...				US Patent US9512132 (2016) BindingDB Entry DOI: 10.7270/Q2P26X39
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM259994 (US9512132, 30) Show SMILES CC(C)(C)c1nc(N2CC[C@H](O)C2)c2cnn(Cc3ccccc3S(C)(=O)=O)c2n1 |r| Show InChI InChI=1S/C21H27N5O3S/c1-21(2,3)20-23-18(25-10-9-15(27)13-25)16-11-22-26(19(16)24-20)12-14-7-5-6-8-17(14)30(4,28)29/h5-8,11,15,27H,9-10,12-13H2,1-4H3/t15-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	37
Hoffmann-La Roche Inc. US Patent					Assay Description CHO cells expressing human CB1 or CB2 receptors are seeded 17-24 hours prior to the experiment 50,000 cells per well in a black 96 well plate with fl...				US Patent US9694012 (2017) BindingDB Entry DOI: 10.7270/Q2VX0DPM
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM259994 (US9512132, 30) Show SMILES CC(C)(C)c1nc(N2CC[C@H](O)C2)c2cnn(Cc3ccccc3S(C)(=O)=O)c2n1 |r| Show InChI InChI=1S/C21H27N5O3S/c1-21(2,3)20-23-18(25-10-9-15(27)13-25)16-11-22-26(19(16)24-20)12-14-7-5-6-8-17(14)30(4,28)29/h5-8,11,15,27H,9-10,12-13H2,1-4H3/t15-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	2.40	n/a	n/a	n/a	37
Hoffmann-La Roche Inc. US Patent					Assay Description CHO cells expressing human CB1 or CB2 receptors are seeded 17-24 hours prior to the experiment 50,000 cells per well in a black 96 well plate with fl...				US Patent US9694012 (2017) BindingDB Entry DOI: 10.7270/Q2VX0DPM
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM259994 (US9512132, 30) Show SMILES CC(C)(C)c1nc(N2CC[C@H](O)C2)c2cnn(Cc3ccccc3S(C)(=O)=O)c2n1 |r| Show InChI InChI=1S/C21H27N5O3S/c1-21(2,3)20-23-18(25-10-9-15(27)13-25)16-11-22-26(19(16)24-20)12-14-7-5-6-8-17(14)30(4,28)29/h5-8,11,15,27H,9-10,12-13H2,1-4H3/t15-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	37
Hoffmann-La Roche Inc. US Patent					Assay Description CHO cells expressing human CB1 or CB2 receptors are seeded 17-24 hours prior to the experiment 50.000 cells per well in a black 96 well plate with fl...				US Patent US9512132 (2016) BindingDB Entry DOI: 10.7270/Q2P26X39
					More data for this Ligand-Target Pair