Compile Data Set for Download or QSAR

Found 330 hits with Last Name = 'latshaw' and Initial = 'sp'   

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 2 (Rattus norvegicus (Rat))	BDBM139889 (US8895592, 19) Show SMILES CC(C)Cn1cc(s\c1=N/C(=O)c1cc(ccc1OCCO)C(F)(F)F)C(C)(C)C Show InChI InChI=1S/C21H27F3N2O3S/c1-13(2)11-26-12-17(20(3,4)5)30-19(26)25-18(28)15-10-14(21(22,23)24)6-7-16(15)29-9-8-27/h6-7,10,12-13,27H,8-9,11H2,1-5H3/b25-19-	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. US Patent					Assay Description The CB1 and CB2 radioligand binding assays described herein are utilized to ascertain the selectivity of compounds of the present application for bin...				US Patent US8895592 (2014) BindingDB Entry DOI: 10.7270/Q2CV4GDB
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Rattus norvegicus (Rat))	BDBM135877 (US8859596, 164) Show SMILES CC(C)(C)NOc1ccc(cc1C(=O)\N=c1/sc(nn1CCCC(F)(F)F)C(C)(C)C)C(F)(F)F Show InChI InChI=1S/C22H28F6N4O2S/c1-19(2,3)17-30-32(11-7-10-21(23,24)25)18(35-17)29-16(33)14-12-13(22(26,27)28)8-9-15(14)34-31-20(4,5)6/h8-9,12,31H,7,10-11H2,1-6H3/b29-18-	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.300	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
AbbVie Inc. US Patent					Assay Description HEK293 cells stably expressing rat CB2 receptors were grown until a confluent monolayer was formed. Briefly, the cells were harvested and homogenized...				US Patent US8859596 (2014) BindingDB Entry DOI: 10.7270/Q2W66JHC
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM135855 (US8859596, 141) Show SMILES CCCCn1nc(s\c1=N\C(=O)c1cc(ccc1ONC(=O)OC(C)(C)C)C(F)(F)F)C(C)(C)C Show InChI InChI=1S/C23H31F3N4O4S/c1-8-9-12-30-19(35-18(28-30)21(2,3)4)27-17(31)15-13-14(23(24,25)26)10-11-16(15)34-29-20(32)33-22(5,6)7/h10-11,13H,8-9,12H2,1-7H3,(H,29,32)/b27-19+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.320	-55.1	n/a	n/a	n/a	n/a	n/a	7.4	30
AbbVie Inc. US Patent					Assay Description HEK293 cells stably expressing human CB2 receptors were grown until a confluent monolayer was formed. Briefly, the cells were harvested and homogeniz...				US Patent US8859596 (2014) BindingDB Entry DOI: 10.7270/Q2W66JHC
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM85093 (CAS_3853 | CHEMBL267014 | CHEMBL555670 | L 745,870...) Show SMILES Clc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1 Show InChI InChI=1S/C18H19ClN4/c19-15-3-5-16(6-4-15)23-10-8-22(9-11-23)13-14-12-21-18-17(14)2-1-7-20-18/h1-7,12H,8-11,13H2,(H,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding affinity against human Dopamine receptor D4 by [3H]-spiperone displacement.				J Med Chem 47: 2348-55 (2004) Article DOI: 10.1021/jm0305669 BindingDB Entry DOI: 10.7270/Q2M61M03
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM135905 (US8859596, 193) Show SMILES CCCCn1nc(s\c1=N/C(=O)c1cc(ccc1NNC(=O)C(C)(C)C)C(F)(F)F)C(C)(C)C Show InChI InChI=1S/C23H32F3N5O2S/c1-8-9-12-31-20(34-19(30-31)22(5,6)7)27-17(32)15-13-14(23(24,25)26)10-11-16(15)28-29-18(33)21(2,3)4/h10-11,13,28H,8-9,12H2,1-7H3,(H,29,33)/b27-20-	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.400	-54.5	n/a	n/a	n/a	n/a	n/a	7.4	30
AbbVie Inc. US Patent					Assay Description HEK293 cells stably expressing human CB2 receptors were grown until a confluent monolayer was formed. Briefly, the cells were harvested and homogeniz...				US Patent US8859596 (2014) BindingDB Entry DOI: 10.7270/Q2W66JHC
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM135909 (US8859596, 198) Show SMILES CCCCn1n(C)c(c\c1=N/C(=O)c1cc(ccc1NNC(=O)C(C)(C)C)C(F)(F)F)C(C)(C)C Show InChI InChI=1S/C25H36F3N5O2/c1-9-10-13-33-20(15-19(32(33)8)23(2,3)4)29-21(34)17-14-16(25(26,27)28)11-12-18(17)30-31-22(35)24(5,6)7/h11-12,14-15,30H,9-10,13H2,1-8H3,(H,31,35)/b29-20+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.400	-54.5	n/a	n/a	n/a	n/a	n/a	7.4	30
AbbVie Inc. US Patent					Assay Description HEK293 cells stably expressing human CB2 receptors were grown until a confluent monolayer was formed. Briefly, the cells were harvested and homogeniz...				US Patent US8859596 (2014) BindingDB Entry DOI: 10.7270/Q2W66JHC
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Rattus norvegicus (Rat))	BDBM135905 (US8859596, 193) Show SMILES CCCCn1nc(s\c1=N/C(=O)c1cc(ccc1NNC(=O)C(C)(C)C)C(F)(F)F)C(C)(C)C Show InChI InChI=1S/C23H32F3N5O2S/c1-8-9-12-31-20(34-19(30-31)22(5,6)7)27-17(32)15-13-14(23(24,25)26)10-11-16(15)28-29-18(33)21(2,3)4/h10-11,13,28H,8-9,12H2,1-7H3,(H,29,33)/b27-20-	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.5	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
AbbVie Inc. US Patent					Assay Description HEK293 cells stably expressing rat CB2 receptors were grown until a confluent monolayer was formed. Briefly, the cells were harvested and homogenized...				US Patent US8859596 (2014) BindingDB Entry DOI: 10.7270/Q2W66JHC
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM135882 (US8859596, 169) Show SMILES CCCCn1nc(s\c1=N/C(=O)c1cc(ccc1ONC(=O)C(C)(C)C)C(F)(F)F)C(C)(C)C Show InChI InChI=1S/C23H31F3N4O3S/c1-8-9-12-30-20(34-19(28-30)22(5,6)7)27-17(31)15-13-14(23(24,25)26)10-11-16(15)33-29-18(32)21(2,3)4/h10-11,13H,8-9,12H2,1-7H3,(H,29,32)/b27-20-	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.600	-53.5	n/a	n/a	n/a	n/a	n/a	7.4	30
AbbVie Inc. US Patent					Assay Description HEK293 cells stably expressing human CB2 receptors were grown until a confluent monolayer was formed. Briefly, the cells were harvested and homogeniz...				US Patent US8859596 (2014) BindingDB Entry DOI: 10.7270/Q2W66JHC
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM135857 (US8859596, 144) Show SMILES CCCCn1nc(s\c1=N/C(=O)c1cc(ccc1ONC(C)C)C(F)(F)F)C(C)(C)C Show InChI InChI=1S/C21H29F3N4O2S/c1-7-8-11-28-19(31-18(26-28)20(4,5)6)25-17(29)15-12-14(21(22,23)24)9-10-16(15)30-27-13(2)3/h9-10,12-13,27H,7-8,11H2,1-6H3/b25-19-	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.600	-53.5	n/a	n/a	n/a	n/a	n/a	7.4	30
AbbVie Inc. US Patent					Assay Description HEK293 cells stably expressing human CB2 receptors were grown until a confluent monolayer was formed. Briefly, the cells were harvested and homogeniz...				US Patent US8859596 (2014) BindingDB Entry DOI: 10.7270/Q2W66JHC
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Rattus norvegicus (Rat))	BDBM135875 (US8859596, 162) Show SMILES CCCCn1nc(s\c1=N/C(=O)c1cc(Cl)ccc1ONC(C)(C)C)C(C)(C)C Show InChI InChI=1S/C21H31ClN4O2S/c1-8-9-12-26-19(29-18(24-26)20(2,3)4)23-17(27)15-13-14(22)10-11-16(15)28-25-21(5,6)7/h10-11,13,25H,8-9,12H2,1-7H3/b23-19-	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.600	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
AbbVie Inc. US Patent					Assay Description HEK293 cells stably expressing rat CB2 receptors were grown until a confluent monolayer was formed. Briefly, the cells were harvested and homogenized...				US Patent US8859596 (2014) BindingDB Entry DOI: 10.7270/Q2W66JHC
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Rattus norvegicus (Rat))	BDBM135882 (US8859596, 169) Show SMILES CCCCn1nc(s\c1=N/C(=O)c1cc(ccc1ONC(=O)C(C)(C)C)C(F)(F)F)C(C)(C)C Show InChI InChI=1S/C23H31F3N4O3S/c1-8-9-12-30-20(34-19(28-30)22(5,6)7)27-17(31)15-13-14(23(24,25)26)10-11-16(15)33-29-18(32)21(2,3)4/h10-11,13H,8-9,12H2,1-7H3,(H,29,32)/b27-20-	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.600	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
AbbVie Inc. US Patent					Assay Description HEK293 cells stably expressing rat CB2 receptors were grown until a confluent monolayer was formed. Briefly, the cells were harvested and homogenized...				US Patent US8859596 (2014) BindingDB Entry DOI: 10.7270/Q2W66JHC
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Rattus norvegicus (Rat))	BDBM135860 (US8859596, 147) Show SMILES CC(C)(C)NOc1ccc(cc1C(=O)\N=c1/sc(nn1CC1CCCCO1)C(C)(C)C)C(F)(F)F Show InChI InChI=1S/C24H33F3N4O3S/c1-22(2,3)20-29-31(14-16-9-7-8-12-33-16)21(35-20)28-19(32)17-13-15(24(25,26)27)10-11-18(17)34-30-23(4,5)6/h10-11,13,16,30H,7-9,12,14H2,1-6H3/b28-21-	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.700	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
AbbVie Inc. US Patent					Assay Description HEK293 cells stably expressing rat CB2 receptors were grown until a confluent monolayer was formed. Briefly, the cells were harvested and homogenized...				US Patent US8859596 (2014) BindingDB Entry DOI: 10.7270/Q2W66JHC
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM135911 (US8859596, 200) Show SMILES CCCCn1n(C)c(c\c1=N/C(=O)c1cc(ccc1NNC(=O)c1ccncc1)C(F)(F)F)C(C)(C)C Show InChI InChI=1S/C26H31F3N6O2/c1-6-7-14-35-22(16-21(34(35)5)25(2,3)4)31-24(37)19-15-18(26(27,28)29)8-9-20(19)32-33-23(36)17-10-12-30-13-11-17/h8-13,15-16,32H,6-7,14H2,1-5H3,(H,33,36)/b31-22+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.700	-53.1	n/a	n/a	n/a	n/a	n/a	7.4	30
AbbVie Inc. US Patent					Assay Description HEK293 cells stably expressing human CB2 receptors were grown until a confluent monolayer was formed. Briefly, the cells were harvested and homogeniz...				US Patent US8859596 (2014) BindingDB Entry DOI: 10.7270/Q2W66JHC
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM135904 (US8859596, 192) Show SMILES CCCCn1nc(s\c1=N\C(=O)c1cc(ccc1NNC(=O)OC)C(F)(F)F)C(C)(C)C Show InChI InChI=1S/C20H26F3N5O3S/c1-6-7-10-28-17(32-16(27-28)19(2,3)4)24-15(29)13-11-12(20(21,22)23)8-9-14(13)25-26-18(30)31-5/h8-9,11,25H,6-7,10H2,1-5H3,(H,26,30)/b24-17+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.700	-53.1	n/a	n/a	n/a	n/a	n/a	7.4	30
AbbVie Inc. US Patent					Assay Description HEK293 cells stably expressing human CB2 receptors were grown until a confluent monolayer was formed. Briefly, the cells were harvested and homogeniz...				US Patent US8859596 (2014) BindingDB Entry DOI: 10.7270/Q2W66JHC
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Rattus norvegicus (Rat))	BDBM135904 (US8859596, 192) Show SMILES CCCCn1nc(s\c1=N\C(=O)c1cc(ccc1NNC(=O)OC)C(F)(F)F)C(C)(C)C Show InChI InChI=1S/C20H26F3N5O3S/c1-6-7-10-28-17(32-16(27-28)19(2,3)4)24-15(29)13-11-12(20(21,22)23)8-9-14(13)25-26-18(30)31-5/h8-9,11,25H,6-7,10H2,1-5H3,(H,26,30)/b24-17+	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.700	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
AbbVie Inc. US Patent					Assay Description HEK293 cells stably expressing rat CB2 receptors were grown until a confluent monolayer was formed. Briefly, the cells were harvested and homogenized...				US Patent US8859596 (2014) BindingDB Entry DOI: 10.7270/Q2W66JHC
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Rattus norvegicus (Rat))	BDBM135908 (US8859596, 197) Show SMILES CCCCn1nc(s\c1=N/C(=O)c1cc(ccc1NNC(=O)c1cccnc1)C(F)(F)F)C(C)(C)C Show InChI InChI=1S/C24H27F3N6O2S/c1-5-6-12-33-22(36-21(32-33)23(2,3)4)29-20(35)17-13-16(24(25,26)27)9-10-18(17)30-31-19(34)15-8-7-11-28-14-15/h7-11,13-14,30H,5-6,12H2,1-4H3,(H,31,34)/b29-22-	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.700	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
AbbVie Inc. US Patent					Assay Description HEK293 cells stably expressing rat CB2 receptors were grown until a confluent monolayer was formed. Briefly, the cells were harvested and homogenized...				US Patent US8859596 (2014) BindingDB Entry DOI: 10.7270/Q2W66JHC
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM139889 (US8895592, 19) Show SMILES CC(C)Cn1cc(s\c1=N/C(=O)c1cc(ccc1OCCO)C(F)(F)F)C(C)(C)C Show InChI InChI=1S/C21H27F3N2O3S/c1-13(2)11-26-12-17(20(3,4)5)30-19(26)25-18(28)15-10-14(21(22,23)24)6-7-16(15)29-9-8-27/h6-7,10,12-13,27H,8-9,11H2,1-5H3/b25-19-	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.730	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. US Patent					Assay Description The CB1 and CB2 radioligand binding assays described herein are utilized to ascertain the selectivity of compounds of the present application for bin...				US Patent US8895592 (2014) BindingDB Entry DOI: 10.7270/Q2CV4GDB
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Rattus norvegicus (Rat))	BDBM139900 (US8895592, 30) Show SMILES CC(C)(C)NOc1ccc(cc1C(=O)\N=c1/sc(cn1CCC#C)C(C)(C)C)C(F)(F)F Show InChI InChI=1S/C23H28F3N3O2S/c1-8-9-12-29-14-18(21(2,3)4)32-20(29)27-19(30)16-13-15(23(24,25)26)10-11-17(16)31-28-22(5,6)7/h1,10-11,13-14,28H,9,12H2,2-7H3/b27-20-	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.75	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. US Patent					Assay Description The CB1 and CB2 radioligand binding assays described herein are utilized to ascertain the selectivity of compounds of the present application for bin...				US Patent US8895592 (2014) BindingDB Entry DOI: 10.7270/Q2CV4GDB
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Rattus norvegicus (Rat))	BDBM139906 (US8895592, 37) Show SMILES CCCCn1cc(s\c1=N/C(=O)c1cc(ccc1NNC(=O)c1cccnc1)C(F)(F)F)C(C)(C)C Show InChI InChI=1S/C25H28F3N5O2S/c1-5-6-12-33-15-20(24(2,3)4)36-23(33)30-22(35)18-13-17(25(26,27)28)9-10-19(18)31-32-21(34)16-8-7-11-29-14-16/h7-11,13-15,31H,5-6,12H2,1-4H3,(H,32,34)/b30-23-	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.770	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. US Patent					Assay Description The CB1 and CB2 radioligand binding assays described herein are utilized to ascertain the selectivity of compounds of the present application for bin...				US Patent US8895592 (2014) BindingDB Entry DOI: 10.7270/Q2CV4GDB
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Rattus norvegicus (Rat))	BDBM135878 (US8859596, 165) Show SMILES CC(C)(C)NOc1ccc(cc1C(=O)\N=c1/sc(nn1CC1CCC1)C(C)(C)C)C(F)(F)F Show InChI InChI=1S/C23H31F3N4O2S/c1-21(2,3)19-28-30(13-14-8-7-9-14)20(33-19)27-18(31)16-12-15(23(24,25)26)10-11-17(16)32-29-22(4,5)6/h10-12,14,29H,7-9,13H2,1-6H3/b27-20-	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.800	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
AbbVie Inc. US Patent					Assay Description HEK293 cells stably expressing rat CB2 receptors were grown until a confluent monolayer was formed. Briefly, the cells were harvested and homogenized...				US Patent US8859596 (2014) BindingDB Entry DOI: 10.7270/Q2W66JHC
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Rattus norvegicus (Rat))	BDBM135857 (US8859596, 144) Show SMILES CCCCn1nc(s\c1=N/C(=O)c1cc(ccc1ONC(C)C)C(F)(F)F)C(C)(C)C Show InChI InChI=1S/C21H29F3N4O2S/c1-7-8-11-28-19(31-18(26-28)20(4,5)6)25-17(29)15-12-14(21(22,23)24)9-10-16(15)30-27-13(2)3/h9-10,12-13,27H,7-8,11H2,1-6H3/b25-19-	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.800	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
AbbVie Inc. US Patent					Assay Description HEK293 cells stably expressing rat CB2 receptors were grown until a confluent monolayer was formed. Briefly, the cells were harvested and homogenized...				US Patent US8859596 (2014) BindingDB Entry DOI: 10.7270/Q2W66JHC
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM135903 (US8859596, 191) Show SMILES CCCCn1nc(s\c1=N/C(=O)c1cc(ccc1NNC(=O)c1ccncc1)C(F)(F)F)C(C)(C)C Show InChI InChI=1S/C24H27F3N6O2S/c1-5-6-13-33-22(36-21(32-33)23(2,3)4)29-20(35)17-14-16(24(25,26)27)7-8-18(17)30-31-19(34)15-9-11-28-12-10-15/h7-12,14,30H,5-6,13H2,1-4H3,(H,31,34)/b29-22-	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.800	-52.8	n/a	n/a	n/a	n/a	n/a	7.4	30
AbbVie Inc. US Patent					Assay Description HEK293 cells stably expressing human CB2 receptors were grown until a confluent monolayer was formed. Briefly, the cells were harvested and homogeniz...				US Patent US8859596 (2014) BindingDB Entry DOI: 10.7270/Q2W66JHC
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM139902 (US8895592, 32) Show SMILES CCCCn1cc(s\c1=N/C(=O)c1cc(ccc1OCC(C)(C)O)C(F)(F)F)C(C)(C)C Show InChI InChI=1S/C23H31F3N2O3S/c1-7-8-11-28-13-18(21(2,3)4)32-20(28)27-19(29)16-12-15(23(24,25)26)9-10-17(16)31-14-22(5,6)30/h9-10,12-13,30H,7-8,11,14H2,1-6H3/b27-20-	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.820	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. US Patent					Assay Description The CB1 and CB2 radioligand binding assays described herein are utilized to ascertain the selectivity of compounds of the present application for bin...				US Patent US8895592 (2014) BindingDB Entry DOI: 10.7270/Q2CV4GDB
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Rattus norvegicus (Rat))	BDBM135900 (US8859596, 188) Show SMILES CCCCn1nc(s\c1=N/C(=O)c1cc(ccc1ON=C(N)C1CC1)C(F)(F)F)C(C)(C)C |w:19.20| Show InChI InChI=1S/C22H28F3N5O2S/c1-5-6-11-30-20(33-19(28-30)21(2,3)4)27-18(31)15-12-14(22(23,24)25)9-10-16(15)32-29-17(26)13-7-8-13/h9-10,12-13H,5-8,11H2,1-4H3,(H2,26,29)/b27-20-	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.900	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
AbbVie Inc. US Patent					Assay Description HEK293 cells stably expressing rat CB2 receptors were grown until a confluent monolayer was formed. Briefly, the cells were harvested and homogenized...				US Patent US8859596 (2014) BindingDB Entry DOI: 10.7270/Q2W66JHC
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Rattus norvegicus (Rat))	BDBM135903 (US8859596, 191) Show SMILES CCCCn1nc(s\c1=N/C(=O)c1cc(ccc1NNC(=O)c1ccncc1)C(F)(F)F)C(C)(C)C Show InChI InChI=1S/C24H27F3N6O2S/c1-5-6-13-33-22(36-21(32-33)23(2,3)4)29-20(35)17-14-16(24(25,26)27)7-8-18(17)30-31-19(34)15-9-11-28-12-10-15/h7-12,14,30H,5-6,13H2,1-4H3,(H,31,34)/b29-22-	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.900	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
AbbVie Inc. US Patent					Assay Description HEK293 cells stably expressing rat CB2 receptors were grown until a confluent monolayer was formed. Briefly, the cells were harvested and homogenized...				US Patent US8859596 (2014) BindingDB Entry DOI: 10.7270/Q2W66JHC
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Rattus norvegicus (Rat))	BDBM139893 (US8895592, 23) Show SMILES CCCCn1cc(s\c1=N/C(=O)c1cc(ccc1ONC(C)(C)C)C(F)(F)F)C(C)(C)C Show InChI InChI=1S/C23H32F3N3O2S/c1-8-9-12-29-14-18(21(2,3)4)32-20(29)27-19(30)16-13-15(23(24,25)26)10-11-17(16)31-28-22(5,6)7/h10-11,13-14,28H,8-9,12H2,1-7H3/b27-20-	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.950	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. US Patent					Assay Description The CB1 and CB2 radioligand binding assays described herein are utilized to ascertain the selectivity of compounds of the present application for bin...				US Patent US8895592 (2014) BindingDB Entry DOI: 10.7270/Q2CV4GDB
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM135867 (US8859596, 154) Show SMILES CCCCn1nc(s\c1=N/C(=O)c1cc(ccc1ONC(C)=O)C(F)(F)F)C(C)(C)C Show InChI InChI=1S/C20H25F3N4O3S/c1-6-7-10-27-18(31-17(25-27)19(3,4)5)24-16(29)14-11-13(20(21,22)23)8-9-15(14)30-26-12(2)28/h8-9,11H,6-7,10H2,1-5H3,(H,26,28)/b24-18-	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1	-52.2	n/a	n/a	n/a	n/a	n/a	7.4	30
AbbVie Inc. US Patent					Assay Description HEK293 cells stably expressing human CB2 receptors were grown until a confluent monolayer was formed. Briefly, the cells were harvested and homogeniz...				US Patent US8859596 (2014) BindingDB Entry DOI: 10.7270/Q2W66JHC
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM135893 (US8859596, 181) Show SMILES CCCCn1nc(s\c1=N\C(=O)c1cc(ccc1NNC(=O)OC(C)(C)C)C(F)(F)F)C(C)(C)C Show InChI InChI=1S/C23H32F3N5O3S/c1-8-9-12-31-19(35-18(30-31)21(2,3)4)27-17(32)15-13-14(23(24,25)26)10-11-16(15)28-29-20(33)34-22(5,6)7/h10-11,13,28H,8-9,12H2,1-7H3,(H,29,33)/b27-19+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1	-52.2	n/a	n/a	n/a	n/a	n/a	7.4	30
AbbVie Inc. US Patent					Assay Description HEK293 cells stably expressing human CB2 receptors were grown until a confluent monolayer was formed. Briefly, the cells were harvested and homogeniz...				US Patent US8859596 (2014) BindingDB Entry DOI: 10.7270/Q2W66JHC
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Rattus norvegicus (Rat))	BDBM135867 (US8859596, 154) Show SMILES CCCCn1nc(s\c1=N/C(=O)c1cc(ccc1ONC(C)=O)C(F)(F)F)C(C)(C)C Show InChI InChI=1S/C20H25F3N4O3S/c1-6-7-10-27-18(31-17(25-27)19(3,4)5)24-16(29)14-11-13(20(21,22)23)8-9-15(14)30-26-12(2)28/h8-9,11H,6-7,10H2,1-5H3,(H,26,28)/b24-18-	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
AbbVie Inc. US Patent					Assay Description HEK293 cells stably expressing rat CB2 receptors were grown until a confluent monolayer was formed. Briefly, the cells were harvested and homogenized...				US Patent US8859596 (2014) BindingDB Entry DOI: 10.7270/Q2W66JHC
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Rattus norvegicus (Rat))	BDBM139887 (US8895592, 17) Show SMILES CC(C)(C)c1cn(CCC(F)(F)F)\c(=N\C(=O)c2cc(ccc2OC2CCC2)C#N)s1 Show InChI InChI=1S/C22H24F3N3O2S/c1-21(2,3)18-13-28(10-9-22(23,24)25)20(31-18)27-19(29)16-11-14(12-26)7-8-17(16)30-15-5-4-6-15/h7-8,11,13,15H,4-6,9-10H2,1-3H3/b27-20-	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. US Patent					Assay Description The CB1 and CB2 radioligand binding assays described herein are utilized to ascertain the selectivity of compounds of the present application for bin...				US Patent US8895592 (2014) BindingDB Entry DOI: 10.7270/Q2CV4GDB
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM135908 (US8859596, 197) Show SMILES CCCCn1nc(s\c1=N/C(=O)c1cc(ccc1NNC(=O)c1cccnc1)C(F)(F)F)C(C)(C)C Show InChI InChI=1S/C24H27F3N6O2S/c1-5-6-12-33-22(36-21(32-33)23(2,3)4)29-20(35)17-13-16(24(25,26)27)9-10-18(17)30-31-19(34)15-8-7-11-28-14-15/h7-11,13-14,30H,5-6,12H2,1-4H3,(H,31,34)/b29-22-	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.10	-52.0	n/a	n/a	n/a	n/a	n/a	7.4	30
AbbVie Inc. US Patent					Assay Description HEK293 cells stably expressing human CB2 receptors were grown until a confluent monolayer was formed. Briefly, the cells were harvested and homogeniz...				US Patent US8859596 (2014) BindingDB Entry DOI: 10.7270/Q2W66JHC
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Rattus norvegicus (Rat))	BDBM139872 (US8895592, 2) Show SMILES CCCCn1cc(s\c1=N/C(=O)c1cc(Cl)ccc1OCC(N)=O)C(C)(C)C Show InChI InChI=1S/C20H26ClN3O3S/c1-5-6-9-24-11-16(20(2,3)4)28-19(24)23-18(26)14-10-13(21)7-8-15(14)27-12-17(22)25/h7-8,10-11H,5-6,9,12H2,1-4H3,(H2,22,25)/b23-19-	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. US Patent					Assay Description The CB1 and CB2 radioligand binding assays described herein are utilized to ascertain the selectivity of compounds of the present application for bin...				US Patent US8895592 (2014) BindingDB Entry DOI: 10.7270/Q2CV4GDB
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM139907 (US8895592, 38) Show SMILES CCCCn1cc(s\c1=N/C(=O)c1cc(ccc1NNC(=O)c1ccncc1)C(F)(F)F)C(C)(C)C Show InChI InChI=1S/C25H28F3N5O2S/c1-5-6-13-33-15-20(24(2,3)4)36-23(33)30-22(35)18-14-17(25(26,27)28)7-8-19(18)31-32-21(34)16-9-11-29-12-10-16/h7-12,14-15,31H,5-6,13H2,1-4H3,(H,32,34)/b30-23-	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. US Patent					Assay Description The CB1 and CB2 radioligand binding assays described herein are utilized to ascertain the selectivity of compounds of the present application for bin...				US Patent US8895592 (2014) BindingDB Entry DOI: 10.7270/Q2CV4GDB
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Rattus norvegicus (Rat))	BDBM135886 (US8859596, 174) Show SMILES CC(C)(C)NOc1ccc(cc1C(=O)\N=c1/sc(nn1CCCCF)C(C)(C)C)C(F)(F)F Show InChI InChI=1S/C22H30F4N4O2S/c1-20(2,3)18-28-30(12-8-7-11-23)19(33-18)27-17(31)15-13-14(22(24,25)26)9-10-16(15)32-29-21(4,5)6/h9-10,13,29H,7-8,11-12H2,1-6H3/b27-19-	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.10	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
AbbVie Inc. US Patent					Assay Description HEK293 cells stably expressing rat CB2 receptors were grown until a confluent monolayer was formed. Briefly, the cells were harvested and homogenized...				US Patent US8859596 (2014) BindingDB Entry DOI: 10.7270/Q2W66JHC
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Rattus norvegicus (Rat))	BDBM139885 (US8895592, 15) Show SMILES CC(C)Cn1cc(s\c1=N/C(=O)c1cc(Cl)ccc1OC1CC1)C(C)(C)C Show InChI InChI=1S/C21H27ClN2O2S/c1-13(2)11-24-12-18(21(3,4)5)27-20(24)23-19(25)16-10-14(22)6-9-17(16)26-15-7-8-15/h6,9-10,12-13,15H,7-8,11H2,1-5H3/b23-20-	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. US Patent					Assay Description The CB1 and CB2 radioligand binding assays described herein are utilized to ascertain the selectivity of compounds of the present application for bin...				US Patent US8895592 (2014) BindingDB Entry DOI: 10.7270/Q2CV4GDB
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Rattus norvegicus (Rat))	BDBM139902 (US8895592, 32) Show SMILES CCCCn1cc(s\c1=N/C(=O)c1cc(ccc1OCC(C)(C)O)C(F)(F)F)C(C)(C)C Show InChI InChI=1S/C23H31F3N2O3S/c1-7-8-11-28-13-18(21(2,3)4)32-20(28)27-19(29)16-12-15(23(24,25)26)9-10-17(16)31-14-22(5,6)30/h9-10,12-13,30H,7-8,11,14H2,1-6H3/b27-20-	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. US Patent					Assay Description The CB1 and CB2 radioligand binding assays described herein are utilized to ascertain the selectivity of compounds of the present application for bin...				US Patent US8895592 (2014) BindingDB Entry DOI: 10.7270/Q2CV4GDB
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Rattus norvegicus (Rat))	BDBM135864 (US8859596, 151) Show SMILES CC(C)(C)NOc1ccc(cc1C(=O)\N=c1/sc(nn1CCCC#N)C(C)(C)C)C(F)(F)F Show InChI InChI=1S/C22H28F3N5O2S/c1-20(2,3)18-28-30(12-8-7-11-26)19(33-18)27-17(31)15-13-14(22(23,24)25)9-10-16(15)32-29-21(4,5)6/h9-10,13,29H,7-8,12H2,1-6H3/b27-19-	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.20	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
AbbVie Inc. US Patent					Assay Description HEK293 cells stably expressing rat CB2 receptors were grown until a confluent monolayer was formed. Briefly, the cells were harvested and homogenized...				US Patent US8859596 (2014) BindingDB Entry DOI: 10.7270/Q2W66JHC
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Rattus norvegicus (Rat))	BDBM135911 (US8859596, 200) Show SMILES CCCCn1n(C)c(c\c1=N/C(=O)c1cc(ccc1NNC(=O)c1ccncc1)C(F)(F)F)C(C)(C)C Show InChI InChI=1S/C26H31F3N6O2/c1-6-7-14-35-22(16-21(34(35)5)25(2,3)4)31-24(37)19-15-18(26(27,28)29)8-9-20(19)32-33-23(36)17-10-12-30-13-11-17/h8-13,15-16,32H,6-7,14H2,1-5H3,(H,33,36)/b31-22+	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.30	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
AbbVie Inc. US Patent					Assay Description HEK293 cells stably expressing rat CB2 receptors were grown until a confluent monolayer was formed. Briefly, the cells were harvested and homogenized...				US Patent US8859596 (2014) BindingDB Entry DOI: 10.7270/Q2W66JHC
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Rattus norvegicus (Rat))	BDBM139888 (US8895592, 18) Show SMILES CC(C)Cn1cc(s\c1=N/C(=O)c1cc(ccc1OCCOC(C)=O)C(F)(F)F)C(C)(C)C Show InChI InChI=1S/C23H29F3N2O4S/c1-14(2)12-28-13-19(22(4,5)6)33-21(28)27-20(30)17-11-16(23(24,25)26)7-8-18(17)32-10-9-31-15(3)29/h7-8,11,13-14H,9-10,12H2,1-6H3/b27-21-	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. US Patent					Assay Description The CB1 and CB2 radioligand binding assays described herein are utilized to ascertain the selectivity of compounds of the present application for bin...				US Patent US8895592 (2014) BindingDB Entry DOI: 10.7270/Q2CV4GDB
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM139905 (US8895592, 36) Show SMILES CCCCn1c2cccnc2sc1=NC(=O)c1cc(ccc1OC[C@H](C)O)C(F)(F)F |w:13.15| Show InChI InChI=1S/C21H22F3N3O3S/c1-3-4-10-27-16-6-5-9-25-19(16)31-20(27)26-18(29)15-11-14(21(22,23)24)7-8-17(15)30-12-13(2)28/h5-9,11,13,28H,3-4,10,12H2,1-2H3/b26-20-/t13-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. US Patent					Assay Description The CB1 and CB2 radioligand binding assays described herein are utilized to ascertain the selectivity of compounds of the present application for bin...				US Patent US8895592 (2014) BindingDB Entry DOI: 10.7270/Q2CV4GDB
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM139895 (US8895592, 25) Show SMILES CCCCn1c2cnccc2s\c1=N/C(=O)c1cc(ccc1OCCNC(C)=O)C(F)(F)F Show InChI InChI=1S/C22H23F3N4O3S/c1-3-4-10-29-17-13-26-8-7-19(17)33-21(29)28-20(31)16-12-15(22(23,24)25)5-6-18(16)32-11-9-27-14(2)30/h5-8,12-13H,3-4,9-11H2,1-2H3,(H,27,30)/b28-21-	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. US Patent					Assay Description The CB1 and CB2 radioligand binding assays described herein are utilized to ascertain the selectivity of compounds of the present application for bin...				US Patent US8895592 (2014) BindingDB Entry DOI: 10.7270/Q2CV4GDB
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50150141 (2-[4-(3,4-Dimethyl-phenyl)-piperazin-1-ylmethyl]-1...) Show SMILES Cc1ccc(cc1C)N1CCN(Cc2nc3ccccc3[nH]2)CC1 Show InChI InChI=1S/C20H24N4/c1-15-7-8-17(13-16(15)2)24-11-9-23(10-12-24)14-20-21-18-5-3-4-6-19(18)22-20/h3-8,13H,9-12,14H2,1-2H3,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description In vitro binding affinity tested on HEK293 cells co-transfected with human D4.4 receptor using [3H]spiperone as a radioligand in FLIPR assay				J Med Chem 47: 3853-64 (2004) Article DOI: 10.1021/jm030505a BindingDB Entry DOI: 10.7270/Q24B3225
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM139906 (US8895592, 37) Show SMILES CCCCn1cc(s\c1=N/C(=O)c1cc(ccc1NNC(=O)c1cccnc1)C(F)(F)F)C(C)(C)C Show InChI InChI=1S/C25H28F3N5O2S/c1-5-6-12-33-15-20(24(2,3)4)36-23(33)30-22(35)18-13-17(25(26,27)28)9-10-19(18)31-32-21(34)16-8-7-11-29-14-16/h7-11,13-15,31H,5-6,12H2,1-4H3,(H,32,34)/b30-23-	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. US Patent					Assay Description The CB1 and CB2 radioligand binding assays described herein are utilized to ascertain the selectivity of compounds of the present application for bin...				US Patent US8895592 (2014) BindingDB Entry DOI: 10.7270/Q2CV4GDB
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM135901 (US8859596, 189) Show SMILES CCCCn1nc(s\c1=N/C(=O)c1cc(ccc1ON=C1CCCCCN1)C(F)(F)F)C(C)(C)C |w:19.20| Show InChI InChI=1S/C24H32F3N5O2S/c1-5-6-14-32-22(35-21(30-32)23(2,3)4)29-20(33)17-15-16(24(25,26)27)11-12-18(17)34-31-19-10-8-7-9-13-28-19/h11-12,15H,5-10,13-14H2,1-4H3,(H,28,31)/b29-22-	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.60	-51.0	n/a	n/a	n/a	n/a	n/a	7.4	30
AbbVie Inc. US Patent					Assay Description HEK293 cells stably expressing human CB2 receptors were grown until a confluent monolayer was formed. Briefly, the cells were harvested and homogeniz...				US Patent US8859596 (2014) BindingDB Entry DOI: 10.7270/Q2W66JHC
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Rattus norvegicus (Rat))	BDBM135893 (US8859596, 181) Show SMILES CCCCn1nc(s\c1=N\C(=O)c1cc(ccc1NNC(=O)OC(C)(C)C)C(F)(F)F)C(C)(C)C Show InChI InChI=1S/C23H32F3N5O3S/c1-8-9-12-31-19(35-18(30-31)21(2,3)4)27-17(32)15-13-14(23(24,25)26)10-11-16(15)28-29-20(33)34-22(5,6)7/h10-11,13,28H,8-9,12H2,1-7H3,(H,29,33)/b27-19+	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.70	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
AbbVie Inc. US Patent					Assay Description HEK293 cells stably expressing rat CB2 receptors were grown until a confluent monolayer was formed. Briefly, the cells were harvested and homogenized...				US Patent US8859596 (2014) BindingDB Entry DOI: 10.7270/Q2W66JHC
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Rattus norvegicus (Rat))	BDBM139901 (US8895592, 31) Show SMILES CC(C)(C)NOc1ccc(cc1C(=O)\N=c1/sc(cn1CC=C=C)C(C)(C)C)C(F)(F)F Show InChI InChI=1S/C23H28F3N3O2S/c1-8-9-12-29-14-18(21(2,3)4)32-20(29)27-19(30)16-13-15(23(24,25)26)10-11-17(16)31-28-22(5,6)7/h9-11,13-14,28H,1,12H2,2-7H3/b27-20-	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. US Patent					Assay Description The CB1 and CB2 radioligand binding assays described herein are utilized to ascertain the selectivity of compounds of the present application for bin...				US Patent US8895592 (2014) BindingDB Entry DOI: 10.7270/Q2CV4GDB
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM135902 (US8859596, 190) Show SMILES CCCCn1nc(s\c1=N/C(=O)c1cc(ccc1ON=C1CCCC1)C(F)(F)F)C(C)(C)C |(-13.64,9.8,;-12.5,8.77,;-11.03,9.24,;-10.71,10.75,;-9.25,11.23,;-8.77,12.69,;-7.23,12.69,;-6.76,11.23,;-8,10.32,;-8,8.78,;-6.67,8.01,;-5.33,8.78,;-6.67,6.47,;-8,5.7,;-8,4.16,;-6.67,3.39,;-5.33,4.16,;-5.33,5.7,;-4,6.47,;-2.67,5.7,;-2.67,4.16,;-1.42,3.25,;-1.9,1.79,;-3.44,1.79,;-3.91,3.25,;-9.34,3.39,;-10.67,2.62,;-10.11,4.72,;-8.57,2.06,;-6.33,13.94,;-5.42,15.18,;-5.08,13.03,;-7.57,14.84,)| Show InChI InChI=1S/C23H29F3N4O2S/c1-5-6-13-30-21(33-20(28-30)22(2,3)4)27-19(31)17-14-15(23(24,25)26)11-12-18(17)32-29-16-9-7-8-10-16/h11-12,14H,5-10,13H2,1-4H3/b27-21-	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.70	-50.9	n/a	n/a	n/a	n/a	n/a	7.4	30
AbbVie Inc. US Patent					Assay Description HEK293 cells stably expressing human CB2 receptors were grown until a confluent monolayer was formed. Briefly, the cells were harvested and homogeniz...				US Patent US8859596 (2014) BindingDB Entry DOI: 10.7270/Q2W66JHC
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Rattus norvegicus (Rat))	BDBM135888 (US8859596, 176) Show SMILES CCCCn1nc(s\c1=N\C(=O)c1cc(ccc1ON=C(CC)C(=O)ON)C(F)(F)F)C(C)(C)C |w:19.20| Show InChI InChI=1S/C22H28F3N5O4S/c1-6-8-11-30-20(35-19(28-30)21(3,4)5)27-17(31)14-12-13(22(23,24)25)9-10-16(14)34-29-15(7-2)18(32)33-26/h9-10,12H,6-8,11,26H2,1-5H3/b27-20+,29-15+	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.70	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
AbbVie Inc. US Patent					Assay Description HEK293 cells stably expressing rat CB2 receptors were grown until a confluent monolayer was formed. Briefly, the cells were harvested and homogenized...				US Patent US8859596 (2014) BindingDB Entry DOI: 10.7270/Q2W66JHC
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Rattus norvegicus (Rat))	BDBM135909 (US8859596, 198) Show SMILES CCCCn1n(C)c(c\c1=N/C(=O)c1cc(ccc1NNC(=O)C(C)(C)C)C(F)(F)F)C(C)(C)C Show InChI InChI=1S/C25H36F3N5O2/c1-9-10-13-33-20(15-19(32(33)8)23(2,3)4)29-21(34)17-14-16(25(26,27)28)11-12-18(17)30-31-22(35)24(5,6)7/h11-12,14-15,30H,9-10,13H2,1-8H3,(H,31,35)/b29-20+	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.70	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
AbbVie Inc. US Patent					Assay Description HEK293 cells stably expressing rat CB2 receptors were grown until a confluent monolayer was formed. Briefly, the cells were harvested and homogenized...				US Patent US8859596 (2014) BindingDB Entry DOI: 10.7270/Q2W66JHC
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM135860 (US8859596, 147) Show SMILES CC(C)(C)NOc1ccc(cc1C(=O)\N=c1/sc(nn1CC1CCCCO1)C(C)(C)C)C(F)(F)F Show InChI InChI=1S/C24H33F3N4O3S/c1-22(2,3)20-29-31(14-16-9-7-8-12-33-16)21(35-20)28-19(32)17-13-15(24(25,26)27)10-11-18(17)34-30-23(4,5)6/h10-11,13,16,30H,7-9,12,14H2,1-6H3/b28-21-	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.70	-50.9	n/a	n/a	n/a	n/a	n/a	7.4	30
AbbVie Inc. US Patent					Assay Description HEK293 cells stably expressing human CB2 receptors were grown until a confluent monolayer was formed. Briefly, the cells were harvested and homogeniz...				US Patent US8859596 (2014) BindingDB Entry DOI: 10.7270/Q2W66JHC
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 330 total )  |  Next  |  Last  >>

Jump to: