Compile Data Set for Download or QSAR

Found 183 hits with Last Name = 'bhatt' and Initial = 'h'   

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
Aurora kinase B/Inner centromere protein (Homo sapiens (Human))	BDBM209861 (5-(3-ethylsulfonylphenyl)-3,8-dimethyl-N-(1-methyl...) Show SMILES CCS(=O)(=O)c1cccc(c1)-c1cc(C(=O)NC2CCN(C)CC2)c(C)c2[nH]c3ncc(C)cc3c12 Show InChI InChI=1S/C28H32N4O3S/c1-5-36(34,35)21-8-6-7-19(14-21)23-15-22(28(33)30-20-9-11-32(4)12-10-20)18(3)26-25(23)24-13-17(2)16-29-27(24)31-26/h6-8,13-16,20H,5,9-12H2,1-4H3,(H,29,31)(H,30,33)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	0.0200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nirma University Curated by ChEMBL					Assay Description Inhibition of Aurora B/INCENP (unknown origin) assessed as affinity constant pre-incubated for 1 hr followed by FL-PKAtide substrate and ATP addition				Eur J Med Chem 140: 1-19 (2017) Article DOI: 10.1016/j.ejmech.2017.08.045 BindingDB Entry DOI: 10.7270/Q2WD4385
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50312840 (CHEMBL1076680 | US9139546, 16 | [11C](3',5'-dichlo...) Show SMILES COc1cc(cc(OC)c1-c1cc(Cl)cc(Cl)c1)C(O)c1cccs1 Show InChI InChI=1S/C19H16Cl2O3S/c1-23-15-8-12(19(22)17-4-3-5-25-17)9-16(24-2)18(15)11-6-13(20)10-14(21)7-11/h3-10,19,22H,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	US Patent	0.270	-55.5	n/a	n/a	n/a	n/a	n/a	n/a	30
The University of Tennessee Research Foundation US Patent					Assay Description Cell membranes from HEK293 cells transfected with the human CB1 receptor and membranes from CHO-K1 cells transfected with the human CB2 receptor were...				US Patent US9139546 (2015) BindingDB Entry DOI: 10.7270/Q2TQ609M
					More data for this Ligand-Target Pair
Aurora kinase B/Inner centromere protein (Homo sapiens (Human))	BDBM50315769 (3-(4-(4-(2-(3-((dimethylamino)methyl)phenyl)-1H-py...) Show SMILES CCn1cc(c(n1)-c1ccc(NC(=O)N(C)C)cc1)-c1ccnc2[nH]c(cc12)-c1cccc(CN(C)C)c1 Show InChI InChI=1S/C30H33N7O/c1-6-37-19-26(28(34-37)21-10-12-23(13-11-21)32-30(38)36(4)5)24-14-15-31-29-25(24)17-27(33-29)22-9-7-8-20(16-22)18-35(2)3/h7-17,19H,6,18H2,1-5H3,(H,31,33)(H,32,38)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.380	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nirma University Curated by ChEMBL					Assay Description Inhibition of human Aurora B/INCENP pre-incubated for 30 mins before 5-FAM-PKAtide substrate addition and measured after 120 mins				Eur J Med Chem 140: 1-19 (2017) Article DOI: 10.1016/j.ejmech.2017.08.045 BindingDB Entry DOI: 10.7270/Q2WD4385
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50133546 ((6aR,10aR)-6,6,9-Trimethyl-3-(1-methyl-1-phenyl-et...) Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C(C)(C)c1ccccc1 |r,t:1| Show InChI InChI=1S/C25H30O2/c1-16-11-12-20-19(13-16)23-21(26)14-18(15-22(23)27-25(20,4)5)24(2,3)17-9-7-6-8-10-17/h6-11,14-15,19-20,26H,12-13H2,1-5H3/t19-,20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.910	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Tennessee-Memphis Curated by ChEMBL					Assay Description Binding affinity to human CB2 receptor transfected in HEK293 cells				Bioorg Med Chem Lett 19: 1691-3 (2009) Article DOI: 10.1016/j.bmcl.2009.01.100 BindingDB Entry DOI: 10.7270/Q2SX6D3N
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50248606 (3',5'-dichloro-4-(2-phenylpropan-2-yl)biphenyl-2,6...) Show SMILES CC(C)(c1ccccc1)c1cc(O)c(c(O)c1)-c1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C21H18Cl2O2/c1-21(2,14-6-4-3-5-7-14)15-10-18(24)20(19(25)11-15)13-8-16(22)12-17(23)9-13/h3-12,24-25H,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.07	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Tennessee-Memphis Curated by ChEMBL					Assay Description Binding affinity to human CB2 receptor transfected in HEK293 cells				Bioorg Med Chem Lett 19: 1691-3 (2009) Article DOI: 10.1016/j.bmcl.2009.01.100 BindingDB Entry DOI: 10.7270/Q2SX6D3N
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50248606 (3',5'-dichloro-4-(2-phenylpropan-2-yl)biphenyl-2,6...) Show SMILES CC(C)(c1ccccc1)c1cc(O)c(c(O)c1)-c1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C21H18Cl2O2/c1-21(2,14-6-4-3-5-7-14)15-10-18(24)20(19(25)11-15)13-8-16(22)12-17(23)9-13/h3-12,24-25H,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	1.07	-52.1	n/a	n/a	n/a	n/a	n/a	n/a	30
The University of Tennessee Research Foundation US Patent					Assay Description Cell membranes from HEK293 cells transfected with the human CB1 receptor and membranes from CHO-K1 cells transfected with the human CB2 receptor were...				US Patent US9139546 (2015) BindingDB Entry DOI: 10.7270/Q2TQ609M
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM181244 (US9139546, 42) Show SMILES CC(C)(c1ccccc1)c1ccc(c(O)c1)-c1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C21H18Cl2O/c1-21(2,15-6-4-3-5-7-15)16-8-9-19(20(24)12-16)14-10-17(22)13-18(23)11-14/h3-13,24H,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.40	-51.4	n/a	n/a	n/a	n/a	n/a	n/a	30
The University of Tennessee Research Foundation US Patent					Assay Description Cell membranes from HEK293 cells transfected with the human CB1 receptor and membranes from CHO-K1 cells transfected with the human CB2 receptor were...				US Patent US9139546 (2015) BindingDB Entry DOI: 10.7270/Q2TQ609M
					More data for this Ligand-Target Pair
Aurora kinase C/Inner centromere protein (Homo sapiens (Human))	BDBM50315769 (3-(4-(4-(2-(3-((dimethylamino)methyl)phenyl)-1H-py...) Show SMILES CCn1cc(c(n1)-c1ccc(NC(=O)N(C)C)cc1)-c1ccnc2[nH]c(cc12)-c1cccc(CN(C)C)c1 Show InChI InChI=1S/C30H33N7O/c1-6-37-19-26(28(34-37)21-10-12-23(13-11-21)32-30(38)36(4)5)24-14-15-31-29-25(24)17-27(33-29)22-9-7-8-20(16-22)18-35(2)3/h7-17,19H,6,18H2,1-5H3,(H,31,33)(H,32,38)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nirma University Curated by ChEMBL					Assay Description Inhibition of human Aurora C/human GST-tagged INCENP pre-incubated for 30 mins before 5-FAM-PKAtide substrate addition and measured after 60 mins				Eur J Med Chem 140: 1-19 (2017) Article DOI: 10.1016/j.ejmech.2017.08.045 BindingDB Entry DOI: 10.7270/Q2WD4385
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50248603 ((3',5'-dichloro-2,6-dimethoxybiphenyl-4-yl)(phenyl...) Show SMILES COc1cc(cc(OC)c1-c1cc(Cl)cc(Cl)c1)C(O)c1ccccc1 Show InChI InChI=1S/C21H18Cl2O3/c1-25-18-10-15(21(24)13-6-4-3-5-7-13)11-19(26-2)20(18)14-8-16(22)12-17(23)9-14/h3-12,21,24H,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	1.66	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Tennessee-Memphis Curated by ChEMBL					Assay Description Binding affinity to human CB2 receptor transfected in HEK293 cells				Bioorg Med Chem Lett 19: 1691-3 (2009) Article DOI: 10.1016/j.bmcl.2009.01.100 BindingDB Entry DOI: 10.7270/Q2SX6D3N
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50248603 ((3',5'-dichloro-2,6-dimethoxybiphenyl-4-yl)(phenyl...) Show SMILES COc1cc(cc(OC)c1-c1cc(Cl)cc(Cl)c1)C(O)c1ccccc1 Show InChI InChI=1S/C21H18Cl2O3/c1-25-18-10-15(21(24)13-6-4-3-5-7-13)11-19(26-2)20(18)14-8-16(22)12-17(23)9-14/h3-12,21,24H,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	US Patent	1.66	-51.0	n/a	n/a	n/a	n/a	n/a	n/a	30
The University of Tennessee Research Foundation US Patent					Assay Description Cell membranes from HEK293 cells transfected with the human CB1 receptor and membranes from CHO-K1 cells transfected with the human CB2 receptor were...				US Patent US9139546 (2015) BindingDB Entry DOI: 10.7270/Q2TQ609M
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM181241 (US9139546, 31) Show SMILES Oc1cc(cc(O)c1-c1cc(Cl)cc(Cl)c1)C(=O)c1cccs1 Show InChI InChI=1S/C17H10Cl2O3S/c18-11-4-9(5-12(19)8-11)16-13(20)6-10(7-14(16)21)17(22)15-2-1-3-23-15/h1-8,20-21H	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.75	-50.8	n/a	n/a	n/a	n/a	n/a	n/a	30
The University of Tennessee Research Foundation US Patent					Assay Description Cell membranes from HEK293 cells transfected with the human CB1 receptor and membranes from CHO-K1 cells transfected with the human CB2 receptor were...				US Patent US9139546 (2015) BindingDB Entry DOI: 10.7270/Q2TQ609M
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM181243 (US9139546, 40) Show SMILES Cc1cccc(c1)-c1c(O)cc(cc1O)C(C)(C)c1ccccc1 Show InChI InChI=1S/C22H22O2/c1-15-8-7-9-16(12-15)21-19(23)13-18(14-20(21)24)22(2,3)17-10-5-4-6-11-17/h4-14,23-24H,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	2.30	-50.1	n/a	n/a	n/a	n/a	n/a	n/a	30
The University of Tennessee Research Foundation US Patent					Assay Description Cell membranes from HEK293 cells transfected with the human CB1 receptor and membranes from CHO-K1 cells transfected with the human CB2 receptor were...				US Patent US9139546 (2015) BindingDB Entry DOI: 10.7270/Q2TQ609M
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50312841 (CHEMBL1081609 | US9139546, 30 | [11C](3',5'-dichlo...) Show SMILES COc1cc(cc(O)c1-c1cc(Cl)cc(Cl)c1)C(=O)c1cccs1 Show InChI InChI=1S/C18H12Cl2O3S/c1-23-15-8-11(18(22)16-3-2-4-24-16)7-14(21)17(15)10-5-12(19)9-13(20)6-10/h2-9,21H,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	2.32	-50.1	n/a	n/a	n/a	n/a	n/a	n/a	30
The University of Tennessee Research Foundation US Patent					Assay Description Cell membranes from HEK293 cells transfected with the human CB1 receptor and membranes from CHO-K1 cells transfected with the human CB2 receptor were...				US Patent US9139546 (2015) BindingDB Entry DOI: 10.7270/Q2TQ609M
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM181246 (US9139546, 44) Show SMILES CC(C)(c1cccs1)c1cc(O)c(c(O)c1)-c1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C19H16Cl2O2S/c1-19(2,17-4-3-5-24-17)12-8-15(22)18(16(23)9-12)11-6-13(20)10-14(21)7-11/h3-10,22-23H,1-2H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	2.33	-50.1	n/a	n/a	n/a	n/a	n/a	n/a	30
The University of Tennessee Research Foundation US Patent					Assay Description Cell membranes from HEK293 cells transfected with the human CB1 receptor and membranes from CHO-K1 cells transfected with the human CB2 receptor were...				US Patent US9139546 (2015) BindingDB Entry DOI: 10.7270/Q2TQ609M
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50248604 ((3',5'-dichloro-2,6-dihydroxybiphenyl-4-yl)(phenyl...) Show SMILES Oc1cc(cc(O)c1-c1cc(Cl)cc(Cl)c1)C(=O)c1ccccc1 Show InChI InChI=1S/C19H12Cl2O3/c20-14-6-12(7-15(21)10-14)18-16(22)8-13(9-17(18)23)19(24)11-4-2-1-3-5-11/h1-10,22-23H	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	2.94	-49.5	n/a	n/a	n/a	n/a	n/a	n/a	30
The University of Tennessee Research Foundation US Patent					Assay Description Cell membranes from HEK293 cells transfected with the human CB1 receptor and membranes from CHO-K1 cells transfected with the human CB2 receptor were...				US Patent US9139546 (2015) BindingDB Entry DOI: 10.7270/Q2TQ609M
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50248604 ((3',5'-dichloro-2,6-dihydroxybiphenyl-4-yl)(phenyl...) Show SMILES Oc1cc(cc(O)c1-c1cc(Cl)cc(Cl)c1)C(=O)c1ccccc1 Show InChI InChI=1S/C19H12Cl2O3/c20-14-6-12(7-15(21)10-14)18-16(22)8-13(9-17(18)23)19(24)11-4-2-1-3-5-11/h1-10,22-23H	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.94	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Tennessee-Memphis Curated by ChEMBL					Assay Description Binding affinity to human CB2 receptor transfected in HEK293 cells				Bioorg Med Chem Lett 19: 1691-3 (2009) Article DOI: 10.1016/j.bmcl.2009.01.100 BindingDB Entry DOI: 10.7270/Q2SX6D3N
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM181245 (US9139546, 43) Show SMILES Cc1cccc(c1)-c1c(O)cc(cc1O)C(C)(C)c1cccs1 Show InChI InChI=1S/C20H20O2S/c1-13-6-4-7-14(10-13)19-16(21)11-15(12-17(19)22)20(2,3)18-8-5-9-23-18/h4-12,21-22H,1-3H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3.70	-48.9	n/a	n/a	n/a	n/a	n/a	n/a	30
The University of Tennessee Research Foundation US Patent					Assay Description Cell membranes from HEK293 cells transfected with the human CB1 receptor and membranes from CHO-K1 cells transfected with the human CB2 receptor were...				US Patent US9139546 (2015) BindingDB Entry DOI: 10.7270/Q2TQ609M
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM181242 (US9139546, 39) Show SMILES Cc1cccc(c1)-c1ccc(cc1O)C(C)(C)c1ccccc1 Show InChI InChI=1S/C22H22O/c1-16-8-7-9-17(14-16)20-13-12-19(15-21(20)23)22(2,3)18-10-5-4-6-11-18/h4-15,23H,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	4.70	-48.3	n/a	n/a	n/a	n/a	n/a	n/a	30
The University of Tennessee Research Foundation US Patent					Assay Description Cell membranes from HEK293 cells transfected with the human CB1 receptor and membranes from CHO-K1 cells transfected with the human CB2 receptor were...				US Patent US9139546 (2015) BindingDB Entry DOI: 10.7270/Q2TQ609M
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50248605 ((3',5'-dichloro-2-hydroxy-6-methoxybiphenyl-4-yl)(...) Show SMILES COc1cc(cc(O)c1-c1cc(Cl)cc(Cl)c1)C(=O)c1ccccc1 Show InChI InChI=1S/C20H14Cl2O3/c1-25-18-10-14(20(24)12-5-3-2-4-6-12)9-17(23)19(18)13-7-15(21)11-16(22)8-13/h2-11,23H,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4.77	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Tennessee-Memphis Curated by ChEMBL					Assay Description Binding affinity to human CB2 receptor transfected in HEK293 cells				Bioorg Med Chem Lett 19: 1691-3 (2009) Article DOI: 10.1016/j.bmcl.2009.01.100 BindingDB Entry DOI: 10.7270/Q2SX6D3N
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50248605 ((3',5'-dichloro-2-hydroxy-6-methoxybiphenyl-4-yl)(...) Show SMILES COc1cc(cc(O)c1-c1cc(Cl)cc(Cl)c1)C(=O)c1ccccc1 Show InChI InChI=1S/C20H14Cl2O3/c1-25-18-10-14(20(24)12-5-3-2-4-6-12)9-17(23)19(18)13-7-15(21)11-16(22)8-13/h2-11,23H,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	4.77	-48.3	n/a	n/a	n/a	n/a	n/a	n/a	30
The University of Tennessee Research Foundation US Patent					Assay Description Cell membranes from HEK293 cells transfected with the human CB1 receptor and membranes from CHO-K1 cells transfected with the human CB2 receptor were...				US Patent US9139546 (2015) BindingDB Entry DOI: 10.7270/Q2TQ609M
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM181246 (US9139546, 44) Show SMILES CC(C)(c1cccs1)c1cc(O)c(c(O)c1)-c1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C19H16Cl2O2S/c1-19(2,17-4-3-5-24-17)12-8-15(22)18(16(23)9-12)11-6-13(20)10-14(21)7-11/h3-10,22-23H,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	5.69	-47.8	n/a	n/a	n/a	n/a	n/a	n/a	30
The University of Tennessee Research Foundation US Patent					Assay Description Cell membranes from HEK293 cells transfected with the human CB1 receptor and membranes from CHO-K1 cells transfected with the human CB2 receptor were...				US Patent US9139546 (2015) BindingDB Entry DOI: 10.7270/Q2TQ609M
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50133546 ((6aR,10aR)-6,6,9-Trimethyl-3-(1-methyl-1-phenyl-et...) Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C(C)(C)c1ccccc1 |r,t:1| Show InChI InChI=1S/C25H30O2/c1-16-11-12-20-19(13-16)23-21(26)14-18(15-22(23)27-25(20,4)5)24(2,3)17-9-7-6-8-10-17/h6-11,14-15,19-20,26H,12-13H2,1-5H3/t19-,20-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	12.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Tennessee-Memphis Curated by ChEMBL					Assay Description Binding affinity to human CB1 receptor transfected in HEK293 cells				Bioorg Med Chem Lett 19: 1691-3 (2009) Article DOI: 10.1016/j.bmcl.2009.01.100 BindingDB Entry DOI: 10.7270/Q2SX6D3N
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM181247 (US9139546, 45) Show SMILES CC(C)(c1cccs1)c1ccc(c(O)c1)-c1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C19H16Cl2OS/c1-19(2,18-4-3-7-23-18)13-5-6-16(17(22)10-13)12-8-14(20)11-15(21)9-12/h3-11,22H,1-2H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	17.2	-45.1	n/a	n/a	n/a	n/a	n/a	n/a	30
The University of Tennessee Research Foundation US Patent					Assay Description Cell membranes from HEK293 cells transfected with the human CB1 receptor and membranes from CHO-K1 cells transfected with the human CB2 receptor were...				US Patent US9139546 (2015) BindingDB Entry DOI: 10.7270/Q2TQ609M
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50067734 ((-)-(6aR-trans)-6,6,9-trimethyl-3-pentyl-6a,7,10,1...) Show SMILES CCCCCc1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1 |r,c:13| Show InChI InChI=1S/C21H30O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h9,12-13,16-17,22H,5-8,10-11H2,1-4H3/t16-,17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Tennessee-Memphis Curated by ChEMBL					Assay Description Binding affinity to human CB2 receptor transfected in HEK293 cells				Bioorg Med Chem Lett 19: 1691-3 (2009) Article DOI: 10.1016/j.bmcl.2009.01.100 BindingDB Entry DOI: 10.7270/Q2SX6D3N
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50248604 ((3',5'-dichloro-2,6-dihydroxybiphenyl-4-yl)(phenyl...) Show SMILES Oc1cc(cc(O)c1-c1cc(Cl)cc(Cl)c1)C(=O)c1ccccc1 Show InChI InChI=1S/C19H12Cl2O3/c20-14-6-12(7-15(21)10-14)18-16(22)8-13(9-17(18)23)19(24)11-4-2-1-3-5-11/h1-10,22-23H	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Tennessee-Memphis Curated by ChEMBL					Assay Description Binding affinity to human CB1 receptor transfected in HEK293 cells				Bioorg Med Chem Lett 19: 1691-3 (2009) Article DOI: 10.1016/j.bmcl.2009.01.100 BindingDB Entry DOI: 10.7270/Q2SX6D3N
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50248604 ((3',5'-dichloro-2,6-dihydroxybiphenyl-4-yl)(phenyl...) Show SMILES Oc1cc(cc(O)c1-c1cc(Cl)cc(Cl)c1)C(=O)c1ccccc1 Show InChI InChI=1S/C19H12Cl2O3/c20-14-6-12(7-15(21)10-14)18-16(22)8-13(9-17(18)23)19(24)11-4-2-1-3-5-11/h1-10,22-23H	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	27	-43.9	n/a	n/a	n/a	n/a	n/a	n/a	30
The University of Tennessee Research Foundation US Patent					Assay Description Cell membranes from HEK293 cells transfected with the human CB1 receptor and membranes from CHO-K1 cells transfected with the human CB2 receptor were...				US Patent US9139546 (2015) BindingDB Entry DOI: 10.7270/Q2TQ609M
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50067734 ((-)-(6aR-trans)-6,6,9-trimethyl-3-pentyl-6a,7,10,1...) Show SMILES CCCCCc1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1 |r,c:13| Show InChI InChI=1S/C21H30O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h9,12-13,16-17,22H,5-8,10-11H2,1-4H3/t16-,17-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	28.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Tennessee-Memphis Curated by ChEMBL					Assay Description Binding affinity to human CB1 receptor transfected in HEK293 cells				Bioorg Med Chem Lett 19: 1691-3 (2009) Article DOI: 10.1016/j.bmcl.2009.01.100 BindingDB Entry DOI: 10.7270/Q2SX6D3N
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM181247 (US9139546, 45) Show SMILES CC(C)(c1cccs1)c1ccc(c(O)c1)-c1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C19H16Cl2OS/c1-19(2,18-4-3-7-23-18)13-5-6-16(17(22)10-13)12-8-14(20)11-15(21)9-12/h3-11,22H,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	37.2	-43.1	n/a	n/a	n/a	n/a	n/a	n/a	30
The University of Tennessee Research Foundation US Patent					Assay Description Cell membranes from HEK293 cells transfected with the human CB1 receptor and membranes from CHO-K1 cells transfected with the human CB2 receptor were...				US Patent US9139546 (2015) BindingDB Entry DOI: 10.7270/Q2TQ609M
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM181242 (US9139546, 39) Show SMILES Cc1cccc(c1)-c1ccc(cc1O)C(C)(C)c1ccccc1 Show InChI InChI=1S/C22H22O/c1-16-8-7-9-17(14-16)20-13-12-19(15-21(20)23)22(2,3)18-10-5-4-6-11-18/h4-15,23H,1-3H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	42.0	-42.8	n/a	n/a	n/a	n/a	n/a	n/a	30
The University of Tennessee Research Foundation US Patent					Assay Description Cell membranes from HEK293 cells transfected with the human CB1 receptor and membranes from CHO-K1 cells transfected with the human CB2 receptor were...				US Patent US9139546 (2015) BindingDB Entry DOI: 10.7270/Q2TQ609M
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM181243 (US9139546, 40) Show SMILES Cc1cccc(c1)-c1c(O)cc(cc1O)C(C)(C)c1ccccc1 Show InChI InChI=1S/C22H22O2/c1-15-8-7-9-16(12-15)21-19(23)13-18(14-20(21)24)22(2,3)17-10-5-4-6-11-17/h4-14,23-24H,1-3H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	46.7	-42.5	n/a	n/a	n/a	n/a	n/a	n/a	30
The University of Tennessee Research Foundation US Patent					Assay Description Cell membranes from HEK293 cells transfected with the human CB1 receptor and membranes from CHO-K1 cells transfected with the human CB2 receptor were...				US Patent US9139546 (2015) BindingDB Entry DOI: 10.7270/Q2TQ609M
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM181245 (US9139546, 43) Show SMILES Cc1cccc(c1)-c1c(O)cc(cc1O)C(C)(C)c1cccs1 Show InChI InChI=1S/C20H20O2S/c1-13-6-4-7-14(10-13)19-16(21)11-15(12-17(19)22)20(2,3)18-8-5-9-23-18/h4-12,21-22H,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	82.0	-41.1	n/a	n/a	n/a	n/a	n/a	n/a	30
The University of Tennessee Research Foundation US Patent					Assay Description Cell membranes from HEK293 cells transfected with the human CB1 receptor and membranes from CHO-K1 cells transfected with the human CB2 receptor were...				US Patent US9139546 (2015) BindingDB Entry DOI: 10.7270/Q2TQ609M
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50248606 (3',5'-dichloro-4-(2-phenylpropan-2-yl)biphenyl-2,6...) Show SMILES CC(C)(c1ccccc1)c1cc(O)c(c(O)c1)-c1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C21H18Cl2O2/c1-21(2,14-6-4-3-5-7-14)15-10-18(24)20(19(25)11-15)13-8-16(22)12-17(23)9-13/h3-12,24-25H,1-2H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	93.7	-40.8	n/a	n/a	n/a	n/a	n/a	n/a	30
The University of Tennessee Research Foundation US Patent					Assay Description Cell membranes from HEK293 cells transfected with the human CB1 receptor and membranes from CHO-K1 cells transfected with the human CB2 receptor were...				US Patent US9139546 (2015) BindingDB Entry DOI: 10.7270/Q2TQ609M
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50248606 (3',5'-dichloro-4-(2-phenylpropan-2-yl)biphenyl-2,6...) Show SMILES CC(C)(c1ccccc1)c1cc(O)c(c(O)c1)-c1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C21H18Cl2O2/c1-21(2,14-6-4-3-5-7-14)15-10-18(24)20(19(25)11-15)13-8-16(22)12-17(23)9-13/h3-12,24-25H,1-2H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	93.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Tennessee-Memphis Curated by ChEMBL					Assay Description Binding affinity to human CB1 receptor transfected in HEK293 cells				Bioorg Med Chem Lett 19: 1691-3 (2009) Article DOI: 10.1016/j.bmcl.2009.01.100 BindingDB Entry DOI: 10.7270/Q2SX6D3N
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM181239 (US9139546, 26) Show SMILES Cc1cccc(c1)-c1c(O)cc(cc1O)C(=O)c1ccccc1 Show InChI InChI=1S/C20H16O3/c1-13-6-5-9-15(10-13)19-17(21)11-16(12-18(19)22)20(23)14-7-3-2-4-8-14/h2-12,21-22H,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	159	-39.5	n/a	n/a	n/a	n/a	n/a	n/a	30
The University of Tennessee Research Foundation US Patent					Assay Description Cell membranes from HEK293 cells transfected with the human CB1 receptor and membranes from CHO-K1 cells transfected with the human CB2 receptor were...				US Patent US9139546 (2015) BindingDB Entry DOI: 10.7270/Q2TQ609M
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM181244 (US9139546, 42) Show SMILES CC(C)(c1ccccc1)c1ccc(c(O)c1)-c1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C21H18Cl2O/c1-21(2,15-6-4-3-5-7-15)16-8-9-19(20(24)12-16)14-10-17(22)13-18(23)11-14/h3-13,24H,1-2H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	199	-38.9	n/a	n/a	n/a	n/a	n/a	n/a	30
The University of Tennessee Research Foundation US Patent					Assay Description Cell membranes from HEK293 cells transfected with the human CB1 receptor and membranes from CHO-K1 cells transfected with the human CB2 receptor were...				US Patent US9139546 (2015) BindingDB Entry DOI: 10.7270/Q2TQ609M
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM181240 (US9139546, 27) Show SMILES COc1cc(cc(O)c1-c1cccc(C)c1)C(=O)c1ccccc1 Show InChI InChI=1S/C21H18O3/c1-14-7-6-10-16(11-14)20-18(22)12-17(13-19(20)24-2)21(23)15-8-4-3-5-9-15/h3-13,22H,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	225	-38.6	n/a	n/a	n/a	n/a	n/a	n/a	30
The University of Tennessee Research Foundation US Patent					Assay Description Cell membranes from HEK293 cells transfected with the human CB1 receptor and membranes from CHO-K1 cells transfected with the human CB2 receptor were...				US Patent US9139546 (2015) BindingDB Entry DOI: 10.7270/Q2TQ609M
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM181238 (US9139546, 25) Show SMILES Cc1cccc(c1)-c1ccc(cc1O)C(=O)c1ccccc1 Show InChI InChI=1S/C20H16O2/c1-14-6-5-9-16(12-14)18-11-10-17(13-19(18)21)20(22)15-7-3-2-4-8-15/h2-13,21H,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	454	-36.8	n/a	n/a	n/a	n/a	n/a	n/a	30
The University of Tennessee Research Foundation US Patent					Assay Description Cell membranes from HEK293 cells transfected with the human CB1 receptor and membranes from CHO-K1 cells transfected with the human CB2 receptor were...				US Patent US9139546 (2015) BindingDB Entry DOI: 10.7270/Q2TQ609M
					More data for this Ligand-Target Pair
Targeting protein for Xklp2 (Homo sapiens)	BDBM50315769 (3-(4-(4-(2-(3-((dimethylamino)methyl)phenyl)-1H-py...) Show SMILES CCn1cc(c(n1)-c1ccc(NC(=O)N(C)C)cc1)-c1ccnc2[nH]c(cc12)-c1cccc(CN(C)C)c1 Show InChI InChI=1S/C30H33N7O/c1-6-37-19-26(28(34-37)21-10-12-23(13-11-21)32-30(38)36(4)5)24-14-15-31-29-25(24)17-27(33-29)22-9-7-8-20(16-22)18-35(2)3/h7-17,19H,6,18H2,1-5H3,(H,31,33)(H,32,38)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	490	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nirma University Curated by ChEMBL					Assay Description Inhibition of human Aurora A/TPX2 (unknown origin) pre-incubated for 30 mins before Biotin-Ahx-RARRRLSFFFFAKKK-NH2 substrate addition and measured af...				Eur J Med Chem 140: 1-19 (2017) Article DOI: 10.1016/j.ejmech.2017.08.045 BindingDB Entry DOI: 10.7270/Q2WD4385
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50312841 (CHEMBL1081609 | US9139546, 30 | [11C](3',5'-dichlo...) Show SMILES COc1cc(cc(O)c1-c1cc(Cl)cc(Cl)c1)C(=O)c1cccs1 Show InChI InChI=1S/C18H12Cl2O3S/c1-23-15-8-11(18(22)16-3-2-4-24-16)7-14(21)17(15)10-5-12(19)9-13(20)6-10/h2-9,21H,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	503	-36.6	n/a	n/a	n/a	n/a	n/a	n/a	30
The University of Tennessee Research Foundation US Patent					Assay Description Cell membranes from HEK293 cells transfected with the human CB1 receptor and membranes from CHO-K1 cells transfected with the human CB2 receptor were...				US Patent US9139546 (2015) BindingDB Entry DOI: 10.7270/Q2TQ609M
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM181239 (US9139546, 26) Show SMILES Cc1cccc(c1)-c1c(O)cc(cc1O)C(=O)c1ccccc1 Show InChI InChI=1S/C20H16O3/c1-13-6-5-9-15(10-13)19-17(21)11-16(12-18(19)22)20(23)14-7-3-2-4-8-14/h2-12,21-22H,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	983	-34.9	n/a	n/a	n/a	n/a	n/a	n/a	30
The University of Tennessee Research Foundation US Patent					Assay Description Cell membranes from HEK293 cells transfected with the human CB1 receptor and membranes from CHO-K1 cells transfected with the human CB2 receptor were...				US Patent US9139546 (2015) BindingDB Entry DOI: 10.7270/Q2TQ609M
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM181241 (US9139546, 31) Show SMILES Oc1cc(cc(O)c1-c1cc(Cl)cc(Cl)c1)C(=O)c1cccs1 Show InChI InChI=1S/C17H10Cl2O3S/c18-11-4-9(5-12(19)8-11)16-13(20)6-10(7-14(16)21)17(22)15-2-1-3-23-15/h1-8,20-21H	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	>1.00E+3	>-34.8	n/a	n/a	n/a	n/a	n/a	n/a	30
The University of Tennessee Research Foundation US Patent					Assay Description Cell membranes from HEK293 cells transfected with the human CB1 receptor and membranes from CHO-K1 cells transfected with the human CB2 receptor were...				US Patent US9139546 (2015) BindingDB Entry DOI: 10.7270/Q2TQ609M
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50248605 ((3',5'-dichloro-2-hydroxy-6-methoxybiphenyl-4-yl)(...) Show SMILES COc1cc(cc(O)c1-c1cc(Cl)cc(Cl)c1)C(=O)c1ccccc1 Show InChI InChI=1S/C20H14Cl2O3/c1-25-18-10-14(20(24)12-5-3-2-4-6-12)9-17(23)19(18)13-7-15(21)11-16(22)8-13/h2-11,23H,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Tennessee-Memphis Curated by ChEMBL					Assay Description Binding affinity to human CB1 receptor transfected in HEK293 cells				Bioorg Med Chem Lett 19: 1691-3 (2009) Article DOI: 10.1016/j.bmcl.2009.01.100 BindingDB Entry DOI: 10.7270/Q2SX6D3N
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM181238 (US9139546, 25) Show SMILES Cc1cccc(c1)-c1ccc(cc1O)C(=O)c1ccccc1 Show InChI InChI=1S/C20H16O2/c1-14-6-5-9-16(12-14)18-11-10-17(13-19(18)21)20(22)15-7-3-2-4-8-15/h2-13,21H,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	>1.00E+3	>-34.8	n/a	n/a	n/a	n/a	n/a	n/a	30
The University of Tennessee Research Foundation US Patent					Assay Description Cell membranes from HEK293 cells transfected with the human CB1 receptor and membranes from CHO-K1 cells transfected with the human CB2 receptor were...				US Patent US9139546 (2015) BindingDB Entry DOI: 10.7270/Q2TQ609M
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50312840 (CHEMBL1076680 | US9139546, 16 | [11C](3',5'-dichlo...) Show SMILES COc1cc(cc(OC)c1-c1cc(Cl)cc(Cl)c1)C(O)c1cccs1 Show InChI InChI=1S/C19H16Cl2O3S/c1-23-15-8-12(19(22)17-4-3-5-25-17)9-16(24-2)18(15)11-6-13(20)10-14(21)7-11/h3-10,19,22H,1-2H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	US Patent	>1.00E+3	>-34.8	n/a	n/a	n/a	n/a	n/a	n/a	30
The University of Tennessee Research Foundation US Patent					Assay Description Cell membranes from HEK293 cells transfected with the human CB1 receptor and membranes from CHO-K1 cells transfected with the human CB2 receptor were...				US Patent US9139546 (2015) BindingDB Entry DOI: 10.7270/Q2TQ609M
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50248603 ((3',5'-dichloro-2,6-dimethoxybiphenyl-4-yl)(phenyl...) Show SMILES COc1cc(cc(OC)c1-c1cc(Cl)cc(Cl)c1)C(O)c1ccccc1 Show InChI InChI=1S/C21H18Cl2O3/c1-25-18-10-15(21(24)13-6-4-3-5-7-13)11-19(26-2)20(18)14-8-16(22)12-17(23)9-14/h3-12,21,24H,1-2H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	US Patent	>1.00E+3	>-34.8	n/a	n/a	n/a	n/a	n/a	n/a	30
The University of Tennessee Research Foundation US Patent					Assay Description Cell membranes from HEK293 cells transfected with the human CB1 receptor and membranes from CHO-K1 cells transfected with the human CB2 receptor were...				US Patent US9139546 (2015) BindingDB Entry DOI: 10.7270/Q2TQ609M
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM181240 (US9139546, 27) Show SMILES COc1cc(cc(O)c1-c1cccc(C)c1)C(=O)c1ccccc1 Show InChI InChI=1S/C21H18O3/c1-14-7-6-10-16(11-14)20-18(22)12-17(13-19(20)24-2)21(23)15-8-4-3-5-9-15/h3-13,22H,1-2H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	>1.00E+3	>-34.8	n/a	n/a	n/a	n/a	n/a	n/a	30
The University of Tennessee Research Foundation US Patent					Assay Description Cell membranes from HEK293 cells transfected with the human CB1 receptor and membranes from CHO-K1 cells transfected with the human CB2 receptor were...				US Patent US9139546 (2015) BindingDB Entry DOI: 10.7270/Q2TQ609M
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50248605 ((3',5'-dichloro-2-hydroxy-6-methoxybiphenyl-4-yl)(...) Show SMILES COc1cc(cc(O)c1-c1cc(Cl)cc(Cl)c1)C(=O)c1ccccc1 Show InChI InChI=1S/C20H14Cl2O3/c1-25-18-10-14(20(24)12-5-3-2-4-6-12)9-17(23)19(18)13-7-15(21)11-16(22)8-13/h2-11,23H,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	>1.00E+3	>-34.8	n/a	n/a	n/a	n/a	n/a	n/a	30
The University of Tennessee Research Foundation US Patent					Assay Description Cell membranes from HEK293 cells transfected with the human CB1 receptor and membranes from CHO-K1 cells transfected with the human CB2 receptor were...				US Patent US9139546 (2015) BindingDB Entry DOI: 10.7270/Q2TQ609M
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50248603 ((3',5'-dichloro-2,6-dimethoxybiphenyl-4-yl)(phenyl...) Show SMILES COc1cc(cc(OC)c1-c1cc(Cl)cc(Cl)c1)C(O)c1ccccc1 Show InChI InChI=1S/C21H18Cl2O3/c1-25-18-10-15(21(24)13-6-4-3-5-7-13)11-19(26-2)20(18)14-8-16(22)12-17(23)9-14/h3-12,21,24H,1-2H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Tennessee-Memphis Curated by ChEMBL					Assay Description Binding affinity to human CB1 receptor transfected in HEK293 cells				Bioorg Med Chem Lett 19: 1691-3 (2009) Article DOI: 10.1016/j.bmcl.2009.01.100 BindingDB Entry DOI: 10.7270/Q2SX6D3N
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50175305 (CHEMBL3600873) Show SMILES OC(=O)[C@@]1(Cc2cccc(Nc3nccs3)n2)CC[C@@H](CC1)Oc1cccc(Cl)c1F |r,wU:3.2,wD:19.24,(2.4,1.65,;1.33,2.27,;1.34,3.5,;,1.54,;-1.33,2.27,;-2.67,1.5,;-2.64,-.04,;-3.96,-.84,;-5.31,-.09,;-5.34,1.45,;-6.69,2.19,;-8,1.39,;-8.11,-.13,;-9.61,-.48,;-10.41,.83,;-9.4,2,;-4.02,2.24,;1.33,.77,;1.33,-.77,;,-1.54,;-1.33,-.77,;-1.33,.77,;0,-3.08,;1.34,-3.85,;2.67,-3.07,;4.01,-3.84,;4.01,-5.38,;2.68,-6.15,;2.68,-7.39,;1.34,-5.39,;.28,-6.01,)| Show InChI InChI=1S/C22H21ClFN3O3S/c23-16-4-2-5-17(19(16)24)30-15-7-9-22(10-8-15,20(28)29)13-14-3-1-6-18(26-14)27-21-25-11-12-31-21/h1-6,11-12,15H,7-10,13H2,(H,28,29)(H,25,26,27)/t15-,22-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	0.0640	n/a	n/a	n/a	n/a	n/a	n/a
Nirma University Curated by ChEMBL					Assay Description Inhibition of recombinant His-tagged human Aurora A kinase expressed in Escherichia coli using Tetra-Kemptide and [gamma-33P]-ATP by liquid scintilla...				Eur J Med Chem 140: 1-19 (2017) Article DOI: 10.1016/j.ejmech.2017.08.045 BindingDB Entry DOI: 10.7270/Q2WD4385
					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50481593 (CHEMBL5287468) Show SMILES COP(F)(=O)CCCn1cc(CNS(=O)(=O)c2ccc3ccc4cccc5ccc2c3c45)nn1 Show InChI InChI=1S/C23H22FN4O4PS/c1-32-33(24,29)13-3-12-28-15-19(26-27-28)14-25-34(30,31)21-11-9-18-7-6-16-4-2-5-17-8-10-20(21)23(18)22(16)17/h2,4-11,15,25H,3,12-14H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair

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