Compile Data Set for Download or QSAR

Found 240 hits with Last Name = 'elokely' and Initial = 'km'   

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 (Homo sapiens (Human))	BDBM50072775 (2-((1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohe...) Show SMILES CCCCCCC(C)(C)c1ccc([C@@H]2C[C@H](O)CC[C@H]2CCCO)c(O)c1 |r| Show InChI InChI=1S/C24H40O3/c1-4-5-6-7-14-24(2,3)19-11-13-21(23(27)16-19)22-17-20(26)12-10-18(22)9-8-15-25/h11,13,16,18,20,22,25-27H,4-10,12,14-15,17H2,1-3H3/t18-,20-,22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Mississippi Curated by ChEMBL					Assay Description Agonist activity at recombinant human full length CB2 receptor expressed in HEK293 cell membranes after 2 hrs by [35S]GTP-gammaS binding assay				Eur J Med Chem 143: 983-996 (2018) Article DOI: 10.1016/j.ejmech.2017.11.043 BindingDB Entry DOI: 10.7270/Q2D50QN8
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50072775 (2-((1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohe...) Show SMILES CCCCCCC(C)(C)c1ccc([C@@H]2C[C@H](O)CC[C@H]2CCCO)c(O)c1 |r| Show InChI InChI=1S/C24H40O3/c1-4-5-6-7-14-24(2,3)19-11-13-21(23(27)16-19)22-17-20(26)12-10-18(22)9-8-15-25/h11,13,16,18,20,22,25-27H,4-10,12,14-15,17H2,1-3H3/t18-,20-,22-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Mississippi Curated by ChEMBL					Assay Description Displacement of [3H]CP-55,940 from recombinant human full length CB1 receptor expressed in HEK293 cell membranes after 90 mins by topcount method				Eur J Med Chem 143: 983-996 (2018) Article DOI: 10.1016/j.ejmech.2017.11.043 BindingDB Entry DOI: 10.7270/Q2D50QN8
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50072775 (2-((1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohe...) Show SMILES CCCCCCC(C)(C)c1ccc([C@@H]2C[C@H](O)CC[C@H]2CCCO)c(O)c1 |r| Show InChI InChI=1S/C24H40O3/c1-4-5-6-7-14-24(2,3)19-11-13-21(23(27)16-19)22-17-20(26)12-10-18(22)9-8-15-25/h11,13,16,18,20,22,25-27H,4-10,12,14-15,17H2,1-3H3/t18-,20-,22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	0.690	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Mississippi Curated by ChEMBL					Assay Description Displacement of [3H]CP-55,940 from recombinant human full length CB2 receptor expressed in HEK293 cell membranes after 90 mins by topcount method				Eur J Med Chem 143: 983-996 (2018) Article DOI: 10.1016/j.ejmech.2017.11.043 BindingDB Entry DOI: 10.7270/Q2D50QN8
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50072775 (2-((1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohe...) Show SMILES CCCCCCC(C)(C)c1ccc([C@@H]2C[C@H](O)CC[C@H]2CCCO)c(O)c1 |r| Show InChI InChI=1S/C24H40O3/c1-4-5-6-7-14-24(2,3)19-11-13-21(23(27)16-19)22-17-20(26)12-10-18(22)9-8-15-25/h11,13,16,18,20,22,25-27H,4-10,12,14-15,17H2,1-3H3/t18-,20-,22-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Mississippi Curated by ChEMBL					Assay Description Agonist activity at recombinant human full length CB1 receptor expressed in HEK293 cell membranes after 2 hrs by [35S]GTP-gammaS binding assay				Eur J Med Chem 143: 983-996 (2018) Article DOI: 10.1016/j.ejmech.2017.11.043 BindingDB Entry DOI: 10.7270/Q2D50QN8
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50464596 (CHEMBL4282822) Show SMILES [H][C@@]12C[C@](C)(O)C=C[C@@]1([H])C(C)(C)Oc1cc(CCCCC)cc(O)c21 |r,c:6| Show InChI InChI=1S/C21H30O3/c1-5-6-7-8-14-11-17(22)19-15-13-21(4,23)10-9-16(15)20(2,3)24-18(19)12-14/h9-12,15-16,22-23H,5-8,13H2,1-4H3/t15-,16-,21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	9.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Mississippi Curated by ChEMBL					Assay Description Displacement of [3H]CP-55,940 from recombinant human full length CB2 receptor expressed in HEK293 cell membranes after 90 mins by topcount method				Eur J Med Chem 143: 983-996 (2018) Article DOI: 10.1016/j.ejmech.2017.11.043 BindingDB Entry DOI: 10.7270/Q2D50QN8
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50000788 ((morphine)4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-az...) Show SMILES Oc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O |r| Show InChI InChI=1S/C19H21NO4/c1-2-8-20-9-7-18-15-11-3-4-12(21)16(15)24-17(18)13(22)5-6-19(18,23)14(20)10-11/h2-4,14,17,21,23H,1,5-10H2/t14-,17+,18+,19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Mississippi Curated by ChEMBL					Assay Description Displacement of [3H]DPDPE from delta opioid receptor (unknown origin) transfected into HEK293 cells by microplate scintillation counting				J Nat Prod 78: 1461-5 (2015) Article DOI: 10.1021/acs.jnatprod.5b00218 BindingDB Entry DOI: 10.7270/Q27P915R
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50464598 (CHEMBL4281658) Show SMILES [H][C@@]12CC(C)=CC[C@@]1([H])C(C)(C)Oc1cc(CCCCC)cc(OC(C)=O)c21 |r,c:4| Show InChI InChI=1S/C23H32O3/c1-6-7-8-9-17-13-20(25-16(3)24)22-18-12-15(2)10-11-19(18)23(4,5)26-21(22)14-17/h10,13-14,18-19H,6-9,11-12H2,1-5H3/t18-,19-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	43	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Mississippi Curated by ChEMBL					Assay Description Agonist activity at recombinant human full length CB1 receptor expressed in HEK293 cell membranes after 2 hrs by [35S]GTP-gammaS binding assay				Eur J Med Chem 143: 983-996 (2018) Article DOI: 10.1016/j.ejmech.2017.11.043 BindingDB Entry DOI: 10.7270/Q2D50QN8
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50464598 (CHEMBL4281658) Show SMILES [H][C@@]12CC(C)=CC[C@@]1([H])C(C)(C)Oc1cc(CCCCC)cc(OC(C)=O)c21 |r,c:4| Show InChI InChI=1S/C23H32O3/c1-6-7-8-9-17-13-20(25-16(3)24)22-18-12-15(2)10-11-19(18)23(4,5)26-21(22)14-17/h10,13-14,18-19H,6-9,11-12H2,1-5H3/t18-,19-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	44	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Mississippi Curated by ChEMBL					Assay Description Displacement of [3H]CP-55,940 from recombinant human full length CB1 receptor expressed in HEK293 cell membranes after 90 mins by topcount method				Eur J Med Chem 143: 983-996 (2018) Article DOI: 10.1016/j.ejmech.2017.11.043 BindingDB Entry DOI: 10.7270/Q2D50QN8
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50464593 (CHEMBL4291438) Show SMILES [H][C@@]12CC(C)(OO)C=C[C@@]1([H])C(C)(C)Oc1cc(CCCCC)cc(OS(=O)(=O)c3ccc(C)cc3)c21 |r,c:7| Show InChI InChI=1S/C28H36O6S/c1-6-7-8-9-20-16-24-26(22-18-28(5,34-29)15-14-23(22)27(3,4)32-24)25(17-20)33-35(30,31)21-12-10-19(2)11-13-21/h10-17,22-23,29H,6-9,18H2,1-5H3/t22-,23-,28?/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	48	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Mississippi Curated by ChEMBL					Assay Description Agonist activity at recombinant human full length CB1 receptor expressed in HEK293 cell membranes after 2 hrs by [35S]GTP-gammaS binding assay				Eur J Med Chem 143: 983-996 (2018) Article DOI: 10.1016/j.ejmech.2017.11.043 BindingDB Entry DOI: 10.7270/Q2D50QN8
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM23415 (5,7-dihydroxy-2-(4-methoxyphenyl)-4H-chromen-4-one...) Show SMILES COc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)cc2o1 Show InChI InChI=1S/C16H12O5/c1-20-11-4-2-9(3-5-11)14-8-13(19)16-12(18)6-10(17)7-15(16)21-14/h2-8,17-18H,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	49	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Temple University Curated by ChEMBL					Assay Description Inhibition of recombinant human MAO-B after 30 mins				J Nat Prod 79: 2538-2544 (2016) Article DOI: 10.1021/acs.jnatprod.6b00440 BindingDB Entry DOI: 10.7270/Q26W9DHJ
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM23415 (5,7-dihydroxy-2-(4-methoxyphenyl)-4H-chromen-4-one...) Show SMILES COc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)cc2o1 Show InChI InChI=1S/C16H12O5/c1-20-11-4-2-9(3-5-11)14-8-13(19)16-12(18)6-10(17)7-15(16)21-14/h2-8,17-18H,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	59	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Temple University Curated by ChEMBL					Assay Description Competitive inhibition of recombinant human MAO-A assessed as reduction in 4-hydroxyquinoline formation using varying levels of kynuramine as substra...				J Nat Prod 79: 2538-2544 (2016) Article DOI: 10.1021/acs.jnatprod.6b00440 BindingDB Entry DOI: 10.7270/Q26W9DHJ
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50105417 (CHEMBL1089 | Nardil | PHENELZINE | Phenethyl-hydra...) Show SMILES NNCCc1ccccc1 Show InChI InChI=1S/C8H12N2/c9-10-7-6-8-4-2-1-3-5-8/h1-5,10H,6-7,9H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	124	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Temple University Curated by ChEMBL					Assay Description Mixed-type inhibition of recombinant human MAO-B assessed as reduction in 4-hydroxyquinoline formation using varying levels of kynuramine as substrat...				J Nat Prod 79: 2538-2544 (2016) Article DOI: 10.1021/acs.jnatprod.6b00440 BindingDB Entry DOI: 10.7270/Q26W9DHJ
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50464593 (CHEMBL4291438) Show SMILES [H][C@@]12CC(C)(OO)C=C[C@@]1([H])C(C)(C)Oc1cc(CCCCC)cc(OS(=O)(=O)c3ccc(C)cc3)c21 |r,c:7| Show InChI InChI=1S/C28H36O6S/c1-6-7-8-9-20-16-24-26(22-18-28(5,34-29)15-14-23(22)27(3,4)32-24)25(17-20)33-35(30,31)21-12-10-19(2)11-13-21/h10-17,22-23,29H,6-9,18H2,1-5H3/t22-,23-,28?/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	137	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Mississippi Curated by ChEMBL					Assay Description Displacement of [3H]CP-55,940 from recombinant human full length CB1 receptor expressed in HEK293 cell membranes after 90 mins by topcount method				Eur J Med Chem 143: 983-996 (2018) Article DOI: 10.1016/j.ejmech.2017.11.043 BindingDB Entry DOI: 10.7270/Q2D50QN8
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50464598 (CHEMBL4281658) Show SMILES [H][C@@]12CC(C)=CC[C@@]1([H])C(C)(C)Oc1cc(CCCCC)cc(OC(C)=O)c21 |r,c:4| Show InChI InChI=1S/C23H32O3/c1-6-7-8-9-17-13-20(25-16(3)24)22-18-12-15(2)10-11-19(18)23(4,5)26-21(22)14-17/h10,13-14,18-19H,6-9,11-12H2,1-5H3/t18-,19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	158	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Mississippi Curated by ChEMBL					Assay Description Displacement of [3H]CP-55,940 from recombinant human full length CB2 receptor expressed in HEK293 cell membranes after 90 mins by topcount method				Eur J Med Chem 143: 983-996 (2018) Article DOI: 10.1016/j.ejmech.2017.11.043 BindingDB Entry DOI: 10.7270/Q2D50QN8
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM50105417 (CHEMBL1089 | Nardil | PHENELZINE | Phenethyl-hydra...) Show SMILES NNCCc1ccccc1 Show InChI InChI=1S/C8H12N2/c9-10-7-6-8-4-2-1-3-5-8/h1-5,10H,6-7,9H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	163	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Temple University Curated by ChEMBL					Assay Description Mixed-type inhibition of recombinant human MAO-A assessed as reduction in 4-hydroxyquinoline formation using varying levels of kynuramine as substrat...				J Nat Prod 79: 2538-2544 (2016) Article DOI: 10.1021/acs.jnatprod.6b00440 BindingDB Entry DOI: 10.7270/Q26W9DHJ
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50464596 (CHEMBL4282822) Show SMILES [H][C@@]12C[C@](C)(O)C=C[C@@]1([H])C(C)(C)Oc1cc(CCCCC)cc(O)c21 |r,c:6| Show InChI InChI=1S/C21H30O3/c1-5-6-7-8-14-11-17(22)19-15-13-21(4,23)10-9-16(15)20(2,3)24-18(19)12-14/h9-12,15-16,22-23H,5-8,13H2,1-4H3/t15-,16-,21-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	193	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Mississippi Curated by ChEMBL					Assay Description Agonist activity at recombinant human full length CB1 receptor expressed in HEK293 cell membranes after 2 hrs by [35S]GTP-gammaS binding assay				Eur J Med Chem 143: 983-996 (2018) Article DOI: 10.1016/j.ejmech.2017.11.043 BindingDB Entry DOI: 10.7270/Q2D50QN8
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50464593 (CHEMBL4291438) Show SMILES [H][C@@]12CC(C)(OO)C=C[C@@]1([H])C(C)(C)Oc1cc(CCCCC)cc(OS(=O)(=O)c3ccc(C)cc3)c21 |r,c:7| Show InChI InChI=1S/C28H36O6S/c1-6-7-8-9-20-16-24-26(22-18-28(5,34-29)15-14-23(22)27(3,4)32-24)25(17-20)33-35(30,31)21-12-10-19(2)11-13-21/h10-17,22-23,29H,6-9,18H2,1-5H3/t22-,23-,28?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	211	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Mississippi Curated by ChEMBL					Assay Description Displacement of [3H]CP-55,940 from recombinant human full length CB2 receptor expressed in HEK293 cell membranes after 90 mins by topcount method				Eur J Med Chem 143: 983-996 (2018) Article DOI: 10.1016/j.ejmech.2017.11.043 BindingDB Entry DOI: 10.7270/Q2D50QN8
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50464598 (CHEMBL4281658) Show SMILES [H][C@@]12CC(C)=CC[C@@]1([H])C(C)(C)Oc1cc(CCCCC)cc(OC(C)=O)c21 |r,c:4| Show InChI InChI=1S/C23H32O3/c1-6-7-8-9-17-13-20(25-16(3)24)22-18-12-15(2)10-11-19(18)23(4,5)26-21(22)14-17/h10,13-14,18-19H,6-9,11-12H2,1-5H3/t18-,19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	259	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Mississippi Curated by ChEMBL					Assay Description Agonist activity at recombinant human full length CB2 receptor expressed in HEK293 cell membranes after 2 hrs by [35S]GTP-gammaS binding assay				Eur J Med Chem 143: 983-996 (2018) Article DOI: 10.1016/j.ejmech.2017.11.043 BindingDB Entry DOI: 10.7270/Q2D50QN8
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50464601 (CHEMBL4290707) Show SMILES CCCCCc1cc(OC(C)=O)c2C3=C(CCC4(C)OC34)C(C)(C)Oc2c1 |t:13| Show InChI InChI=1S/C23H30O4/c1-6-7-8-9-15-12-17(25-14(2)24)20-18(13-15)26-22(3,4)16-10-11-23(5)21(27-23)19(16)20/h12-13,21H,6-11H2,1-5H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	286	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Mississippi Curated by ChEMBL					Assay Description Displacement of [3H]CP-55,940 from recombinant human full length CB1 receptor expressed in HEK293 cell membranes after 90 mins by topcount method				Eur J Med Chem 143: 983-996 (2018) Article DOI: 10.1016/j.ejmech.2017.11.043 BindingDB Entry DOI: 10.7270/Q2D50QN8
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50464602 (CHEMBL4286213) Show SMILES CCCCCc1cc(O)c2C3=C(CCC(C)(OC)C3O)C(C)(C)Oc2c1 |t:10| Show InChI InChI=1S/C22H32O4/c1-6-7-8-9-14-12-16(23)19-17(13-14)26-21(2,3)15-10-11-22(4,25-5)20(24)18(15)19/h12-13,20,23-24H,6-11H2,1-5H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Mississippi Curated by ChEMBL					Assay Description Displacement of [3H]CP-55,940 from recombinant human full length CB2 receptor expressed in HEK293 cell membranes after 90 mins by topcount method				Eur J Med Chem 143: 983-996 (2018) Article DOI: 10.1016/j.ejmech.2017.11.043 BindingDB Entry DOI: 10.7270/Q2D50QN8
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50464597 (CHEMBL4285088) Show SMILES [H][C@@]12CC=C(C)[C@H](OO)[C@@]1([H])c1c(OS(=O)(=O)c3ccc(C)cc3)cc(CCCCC)cc1OC2(C)C |r,t:3| Show InChI InChI=1S/C28H36O6S/c1-6-7-8-9-20-16-23-26(24(17-20)34-35(30,31)21-13-10-18(2)11-14-21)25-22(28(4,5)32-23)15-12-19(3)27(25)33-29/h10-14,16-17,22,25,27,29H,6-9,15H2,1-5H3/t22-,25-,27+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	426	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Mississippi Curated by ChEMBL					Assay Description Displacement of [3H]CP-55,940 from recombinant human full length CB2 receptor expressed in HEK293 cell membranes after 90 mins by topcount method				Eur J Med Chem 143: 983-996 (2018) Article DOI: 10.1016/j.ejmech.2017.11.043 BindingDB Entry DOI: 10.7270/Q2D50QN8
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50464601 (CHEMBL4290707) Show SMILES CCCCCc1cc(OC(C)=O)c2C3=C(CCC4(C)OC34)C(C)(C)Oc2c1 |t:13| Show InChI InChI=1S/C23H30O4/c1-6-7-8-9-15-12-17(25-14(2)24)20-18(13-15)26-22(3,4)16-10-11-23(5)21(27-23)19(16)20/h12-13,21H,6-11H2,1-5H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	464	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Mississippi Curated by ChEMBL					Assay Description Displacement of [3H]CP-55,940 from recombinant human full length CB2 receptor expressed in HEK293 cell membranes after 90 mins by topcount method				Eur J Med Chem 143: 983-996 (2018) Article DOI: 10.1016/j.ejmech.2017.11.043 BindingDB Entry DOI: 10.7270/Q2D50QN8
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50464596 (CHEMBL4282822) Show SMILES [H][C@@]12C[C@](C)(O)C=C[C@@]1([H])C(C)(C)Oc1cc(CCCCC)cc(O)c21 |r,c:6| Show InChI InChI=1S/C21H30O3/c1-5-6-7-8-14-11-17(22)19-15-13-21(4,23)10-9-16(15)20(2,3)24-18(19)12-14/h9-12,15-16,22-23H,5-8,13H2,1-4H3/t15-,16-,21-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	470	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Mississippi Curated by ChEMBL					Assay Description Displacement of [3H]CP-55,940 from recombinant human full length CB1 receptor expressed in HEK293 cell membranes after 90 mins by topcount method				Eur J Med Chem 143: 983-996 (2018) Article DOI: 10.1016/j.ejmech.2017.11.043 BindingDB Entry DOI: 10.7270/Q2D50QN8
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50464597 (CHEMBL4285088) Show SMILES [H][C@@]12CC=C(C)[C@H](OO)[C@@]1([H])c1c(OS(=O)(=O)c3ccc(C)cc3)cc(CCCCC)cc1OC2(C)C |r,t:3| Show InChI InChI=1S/C28H36O6S/c1-6-7-8-9-20-16-23-26(24(17-20)34-35(30,31)21-13-10-18(2)11-14-21)25-22(28(4,5)32-23)15-12-19(3)27(25)33-29/h10-14,16-17,22,25,27,29H,6-9,15H2,1-5H3/t22-,25-,27+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	512	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Mississippi Curated by ChEMBL					Assay Description Displacement of [3H]CP-55,940 from recombinant human full length CB1 receptor expressed in HEK293 cell membranes after 90 mins by topcount method				Eur J Med Chem 143: 983-996 (2018) Article DOI: 10.1016/j.ejmech.2017.11.043 BindingDB Entry DOI: 10.7270/Q2D50QN8
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50464602 (CHEMBL4286213) Show SMILES CCCCCc1cc(O)c2C3=C(CCC(C)(OC)C3O)C(C)(C)Oc2c1 |t:10| Show InChI InChI=1S/C22H32O4/c1-6-7-8-9-14-12-16(23)19-17(13-14)26-21(2,3)15-10-11-22(4,25-5)20(24)18(15)19/h12-13,20,23-24H,6-11H2,1-5H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	538	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Mississippi Curated by ChEMBL					Assay Description Displacement of [3H]CP-55,940 from recombinant human full length CB1 receptor expressed in HEK293 cell membranes after 90 mins by topcount method				Eur J Med Chem 143: 983-996 (2018) Article DOI: 10.1016/j.ejmech.2017.11.043 BindingDB Entry DOI: 10.7270/Q2D50QN8
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50464599 (CHEMBL4292923) Show SMILES [H][C@@]12CC=C(C)[C@@H](O)[C@@]1([H])c1c(OS(=O)(=O)c3ccc(C)cc3)cc(CCCCC)cc1OC2(C)C |r,t:3| Show InChI InChI=1S/C28H36O5S/c1-6-7-8-9-20-16-23-26(25-22(28(4,5)32-23)15-12-19(3)27(25)29)24(17-20)33-34(30,31)21-13-10-18(2)11-14-21/h10-14,16-17,22,25,27,29H,6-9,15H2,1-5H3/t22-,25-,27-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	552	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Mississippi Curated by ChEMBL					Assay Description Displacement of [3H]CP-55,940 from recombinant human full length CB2 receptor expressed in HEK293 cell membranes after 90 mins by topcount method				Eur J Med Chem 143: 983-996 (2018) Article DOI: 10.1016/j.ejmech.2017.11.043 BindingDB Entry DOI: 10.7270/Q2D50QN8
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50464599 (CHEMBL4292923) Show SMILES [H][C@@]12CC=C(C)[C@@H](O)[C@@]1([H])c1c(OS(=O)(=O)c3ccc(C)cc3)cc(CCCCC)cc1OC2(C)C |r,t:3| Show InChI InChI=1S/C28H36O5S/c1-6-7-8-9-20-16-23-26(25-22(28(4,5)32-23)15-12-19(3)27(25)29)24(17-20)33-34(30,31)21-13-10-18(2)11-14-21/h10-14,16-17,22,25,27,29H,6-9,15H2,1-5H3/t22-,25-,27-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	642	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Mississippi Curated by ChEMBL					Assay Description Displacement of [3H]CP-55,940 from recombinant human full length CB1 receptor expressed in HEK293 cell membranes after 90 mins by topcount method				Eur J Med Chem 143: 983-996 (2018) Article DOI: 10.1016/j.ejmech.2017.11.043 BindingDB Entry DOI: 10.7270/Q2D50QN8
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50464593 (CHEMBL4291438) Show SMILES [H][C@@]12CC(C)(OO)C=C[C@@]1([H])C(C)(C)Oc1cc(CCCCC)cc(OS(=O)(=O)c3ccc(C)cc3)c21 |r,c:7| Show InChI InChI=1S/C28H36O6S/c1-6-7-8-9-20-16-24-26(22-18-28(5,34-29)15-14-23(22)27(3,4)32-24)25(17-20)33-35(30,31)21-12-10-19(2)11-13-21/h10-17,22-23,29H,6-9,18H2,1-5H3/t22-,23-,28?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	876	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Mississippi Curated by ChEMBL					Assay Description Agonist activity at recombinant human full length CB2 receptor expressed in HEK293 cell membranes after 2 hrs by [35S]GTP-gammaS binding assay				Eur J Med Chem 143: 983-996 (2018) Article DOI: 10.1016/j.ejmech.2017.11.043 BindingDB Entry DOI: 10.7270/Q2D50QN8
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50464594 (CHEMBL4289543) Show SMILES [H][C@@]12CC[C@](C)(OCC)C=C1C1=C(OC2(C)C)C(=O)C(CCCCC)=CC1=O |r,c:9,12,26| Show InChI InChI=1S/C23H32O4/c1-6-8-9-10-15-13-18(24)19-16-14-23(5,26-7-2)12-11-17(16)22(3,4)27-21(19)20(15)25/h13-14,17H,6-12H2,1-5H3/t17-,23+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	919	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Mississippi Curated by ChEMBL					Assay Description Displacement of [3H]CP-55,940 from recombinant human full length CB1 receptor expressed in HEK293 cell membranes after 90 mins by topcount method				Eur J Med Chem 143: 983-996 (2018) Article DOI: 10.1016/j.ejmech.2017.11.043 BindingDB Entry DOI: 10.7270/Q2D50QN8
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50464595 (CHEMBL4294111) Show SMILES CCCCCc1cc(O)c2C3=C(CCC(C)(OC)C3OC(C)=O)C(C)(C)Oc2c1 |t:10| Show InChI InChI=1S/C24H34O5/c1-7-8-9-10-16-13-18(26)21-19(14-16)29-23(3,4)17-11-12-24(5,27-6)22(20(17)21)28-15(2)25/h13-14,22,26H,7-12H2,1-6H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	990	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Mississippi Curated by ChEMBL					Assay Description Displacement of [3H]CP-55,940 from recombinant human full length CB2 receptor expressed in HEK293 cell membranes after 90 mins by topcount method				Eur J Med Chem 143: 983-996 (2018) Article DOI: 10.1016/j.ejmech.2017.11.043 BindingDB Entry DOI: 10.7270/Q2D50QN8
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50464600 (CHEMBL4283589) Show SMILES [H][C@@]12CC(=C)C(C[C@@]1([H])C(C)(C)Oc1cc(CCCCC)cc(OS(=O)(=O)c3ccc(C)cc3)c21)OO |r| Show InChI InChI=1S/C28H36O6S/c1-6-7-8-9-20-15-25-27(22-14-19(3)24(33-29)17-23(22)28(4,5)32-25)26(16-20)34-35(30,31)21-12-10-18(2)11-13-21/h10-13,15-16,22-24,29H,3,6-9,14,17H2,1-2,4-5H3/t22-,23-,24?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	1.03E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Mississippi Curated by ChEMBL					Assay Description Displacement of [3H]CP-55,940 from recombinant human full length CB2 receptor expressed in HEK293 cell membranes after 90 mins by topcount method				Eur J Med Chem 143: 983-996 (2018) Article DOI: 10.1016/j.ejmech.2017.11.043 BindingDB Entry DOI: 10.7270/Q2D50QN8
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50464595 (CHEMBL4294111) Show SMILES CCCCCc1cc(O)c2C3=C(CCC(C)(OC)C3OC(C)=O)C(C)(C)Oc2c1 |t:10| Show InChI InChI=1S/C24H34O5/c1-7-8-9-10-16-13-18(26)21-19(14-16)29-23(3,4)17-11-12-24(5,27-6)22(20(17)21)28-15(2)25/h13-14,22,26H,7-12H2,1-6H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Mississippi Curated by ChEMBL					Assay Description Displacement of [3H]CP-55,940 from recombinant human full length CB1 receptor expressed in HEK293 cell membranes after 90 mins by topcount method				Eur J Med Chem 143: 983-996 (2018) Article DOI: 10.1016/j.ejmech.2017.11.043 BindingDB Entry DOI: 10.7270/Q2D50QN8
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50464594 (CHEMBL4289543) Show SMILES [H][C@@]12CC[C@](C)(OCC)C=C1C1=C(OC2(C)C)C(=O)C(CCCCC)=CC1=O |r,c:9,12,26| Show InChI InChI=1S/C23H32O4/c1-6-8-9-10-15-13-18(24)19-16-14-23(5,26-7-2)12-11-17(16)22(3,4)27-21(19)20(15)25/h13-14,17H,6-12H2,1-5H3/t17-,23+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	2.03E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Mississippi Curated by ChEMBL					Assay Description Displacement of [3H]CP-55,940 from recombinant human full length CB2 receptor expressed in HEK293 cell membranes after 90 mins by topcount method				Eur J Med Chem 143: 983-996 (2018) Article DOI: 10.1016/j.ejmech.2017.11.043 BindingDB Entry DOI: 10.7270/Q2D50QN8
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50464600 (CHEMBL4283589) Show SMILES [H][C@@]12CC(=C)C(C[C@@]1([H])C(C)(C)Oc1cc(CCCCC)cc(OS(=O)(=O)c3ccc(C)cc3)c21)OO |r| Show InChI InChI=1S/C28H36O6S/c1-6-7-8-9-20-15-25-27(22-14-19(3)24(33-29)17-23(22)28(4,5)32-25)26(16-20)34-35(30,31)21-12-10-18(2)11-13-21/h10-13,15-16,22-24,29H,3,6-9,14,17H2,1-2,4-5H3/t22-,23-,24?/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	2.85E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Mississippi Curated by ChEMBL					Assay Description Displacement of [3H]CP-55,940 from recombinant human full length CB1 receptor expressed in HEK293 cell membranes after 90 mins by topcount method				Eur J Med Chem 143: 983-996 (2018) Article DOI: 10.1016/j.ejmech.2017.11.043 BindingDB Entry DOI: 10.7270/Q2D50QN8
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50092614 (5-demethylsinensetin | CHEMBL226508) Show SMILES COc1ccc(cc1OC)-c1cc(=O)c2c(O)c(OC)c(OC)cc2o1 Show InChI InChI=1S/C19H18O7/c1-22-12-6-5-10(7-14(12)23-2)13-8-11(20)17-15(26-13)9-16(24-3)19(25-4)18(17)21/h5-9,21H,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	3.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Mississippi Curated by ChEMBL					Assay Description Displacement of [3H]DPDPE from delta opioid receptor (unknown origin) transfected into HEK293 cells by microplate scintillation counting				J Nat Prod 78: 1461-5 (2015) Article DOI: 10.1021/acs.jnatprod.5b00218 BindingDB Entry DOI: 10.7270/Q27P915R
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50464596 (CHEMBL4282822) Show SMILES [H][C@@]12C[C@](C)(O)C=C[C@@]1([H])C(C)(C)Oc1cc(CCCCC)cc(O)c21 |r,c:6| Show InChI InChI=1S/C21H30O3/c1-5-6-7-8-14-11-17(22)19-15-13-21(4,23)10-9-16(15)20(2,3)24-18(19)12-14/h9-12,15-16,22-23H,5-8,13H2,1-4H3/t15-,16-,21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Mississippi Curated by ChEMBL					Assay Description Agonist activity at recombinant human full length CB2 receptor expressed in HEK293 cell membranes after 2 hrs by [35S]GTP-gammaS binding assay				Eur J Med Chem 143: 983-996 (2018) Article DOI: 10.1016/j.ejmech.2017.11.043 BindingDB Entry DOI: 10.7270/Q2D50QN8
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50064896 (4,5-Dihydroxy-6-methoxy-2-(4-methoxy-phenyl)-chrom...) Show SMILES COc1ccc(cc1)-c1cc(=O)c2c(O)c(OC)c(O)cc2o1 Show InChI InChI=1S/C17H14O6/c1-21-10-5-3-9(4-6-10)13-7-11(18)15-14(23-13)8-12(19)17(22-2)16(15)20/h3-8,19-20H,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	8.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Mississippi Curated by ChEMBL					Assay Description Displacement of [3H]DPDPE from delta opioid receptor (unknown origin) transfected into HEK293 cells by microplate scintillation counting				J Nat Prod 78: 1461-5 (2015) Article DOI: 10.1021/acs.jnatprod.5b00218 BindingDB Entry DOI: 10.7270/Q27P915R
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50092613 (Salvigenin) Show SMILES COc1ccc(cc1)-c1cc(=O)c2c(O)c(OC)c(OC)cc2o1 Show InChI InChI=1S/C18H16O6/c1-21-11-6-4-10(5-7-11)13-8-12(19)16-14(24-13)9-15(22-2)18(23-3)17(16)20/h4-9,20H,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	>2.60E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Mississippi Curated by ChEMBL					Assay Description Displacement of [3H]DPDPE from delta opioid receptor (unknown origin) transfected into HEK293 cells by microplate scintillation counting				J Nat Prod 78: 1461-5 (2015) Article DOI: 10.1021/acs.jnatprod.5b00218 BindingDB Entry DOI: 10.7270/Q27P915R
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50145416 (GSK2126458 | Omipalisib) Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1ccc2nccc(-c3ccnnc3)c2c1 Show InChI InChI=1S/C25H17F2N5O3S/c1-35-25-23(32-36(33,34)24-5-3-18(26)12-21(24)27)11-17(13-29-25)15-2-4-22-20(10-15)19(7-8-28-22)16-6-9-30-31-14-16/h2-14,32H,1H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	0.0190	n/a	n/a	n/a	n/a	n/a	n/a
Temple University Curated by ChEMBL					Assay Description Competitive inhibition of human PI3K p110alpha/p85alpha using PIP2 as substrate preincubated for 10 mins followed by ATP addition measured after 30 m...				Bioorg Med Chem Lett 27: 3117-3122 (2017) Article DOI: 10.1016/j.bmcl.2017.05.044 BindingDB Entry DOI: 10.7270/Q2Z89FTM
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50145416 (GSK2126458 | Omipalisib) Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1ccc2nccc(-c3ccnnc3)c2c1 Show InChI InChI=1S/C25H17F2N5O3S/c1-35-25-23(32-36(33,34)24-5-3-18(26)12-21(24)27)11-17(13-29-25)15-2-4-22-20(10-15)19(7-8-28-22)16-6-9-30-31-14-16/h2-14,32H,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	0.180	n/a	n/a	n/a	n/a	n/a	n/a
Temple University Curated by ChEMBL					Assay Description Competitive inhibition of human mTOR using 4EBP1 as substrate in presence of [33gammaP]-ATP after 120 mins by filter binding method				Bioorg Med Chem Lett 27: 3117-3122 (2017) Article DOI: 10.1016/j.bmcl.2017.05.044 BindingDB Entry DOI: 10.7270/Q2Z89FTM
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50243194 (CHEMBL4097194) Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(N3CCOCC3)c3ncccc3n2)cc1 Show InChI InChI=1S/C24H23N7O4S/c25-36(33,34)19-9-7-18(8-10-19)28-24(32)27-17-5-3-16(4-6-17)22-29-20-2-1-11-26-21(20)23(30-22)31-12-14-35-15-13-31/h1-11H,12-15H2,(H2,25,33,34)(H2,27,28,32)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.240	n/a	n/a	n/a	n/a	n/a	n/a
Temple University Curated by ChEMBL					Assay Description Competitive inhibition of human PI3K p110alpha/p85alpha using PIP2 as substrate preincubated for 10 mins followed by ATP addition measured after 30 m...				Bioorg Med Chem Lett 27: 3117-3122 (2017) Article DOI: 10.1016/j.bmcl.2017.05.044 BindingDB Entry DOI: 10.7270/Q2Z89FTM
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50243144 (CHEMBL4065928) Show SMILES CNC1CCN(CC1)C(=O)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(nc(n2)N2CCOCC2)N2CCOCC2)cc1 Show InChI InChI=1S/C31H39N9O4/c1-32-24-10-12-38(13-11-24)28(41)23-4-8-26(9-5-23)34-31(42)33-25-6-2-22(3-7-25)27-35-29(39-14-18-43-19-15-39)37-30(36-27)40-16-20-44-21-17-40/h2-9,24,32H,10-21H2,1H3,(H2,33,34,42)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Temple University Curated by ChEMBL					Assay Description Competitive inhibition of human PI3K p110alpha/p85alpha using PIP2 as substrate preincubated for 10 mins followed by ATP addition measured after 30 m...				Bioorg Med Chem Lett 27: 3117-3122 (2017) Article DOI: 10.1016/j.bmcl.2017.05.044 BindingDB Entry DOI: 10.7270/Q2Z89FTM
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50243339 (CHEMBL4089494) Show SMILES CNC(=O)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(N3CCOCC3)c3ncccc3n2)cc1 Show InChI InChI=1S/C26H25N7O3/c1-27-25(34)18-6-10-20(11-7-18)30-26(35)29-19-8-4-17(5-9-19)23-31-21-3-2-12-28-22(21)24(32-23)33-13-15-36-16-14-33/h2-12H,13-16H2,1H3,(H,27,34)(H2,29,30,35)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	<0.5	n/a	n/a	n/a	n/a	n/a	n/a
Temple University Curated by ChEMBL					Assay Description Competitive inhibition of human PI3K p110alpha/p85alpha using PIP2 as substrate preincubated for 10 mins followed by ATP addition measured after 30 m...				Bioorg Med Chem Lett 27: 3117-3122 (2017) Article DOI: 10.1016/j.bmcl.2017.05.044 BindingDB Entry DOI: 10.7270/Q2Z89FTM
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50243193 (CHEMBL4060651) Show SMILES CC(=O)Nc1ccc(NC(=O)Nc2ccc(cc2)-c2nc(N3CCOCC3)c3ncccc3n2)cc1 Show InChI InChI=1S/C26H25N7O3/c1-17(34)28-19-8-10-21(11-9-19)30-26(35)29-20-6-4-18(5-7-20)24-31-22-3-2-12-27-23(22)25(32-24)33-13-15-36-16-14-33/h2-12H,13-16H2,1H3,(H,28,34)(H2,29,30,35)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<0.5	n/a	n/a	n/a	n/a	n/a	n/a
Temple University Curated by ChEMBL					Assay Description Competitive inhibition of human PI3K p110alpha/p85alpha using PIP2 as substrate preincubated for 10 mins followed by ATP addition measured after 30 m...				Bioorg Med Chem Lett 27: 3117-3122 (2017) Article DOI: 10.1016/j.bmcl.2017.05.044 BindingDB Entry DOI: 10.7270/Q2Z89FTM
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50243292 (CHEMBL4092587) Show SMILES O=C(Nc1ccccc1)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2ncccc2n1 Show InChI InChI=1S/C24H22N6O2/c31-24(26-18-5-2-1-3-6-18)27-19-10-8-17(9-11-19)22-28-20-7-4-12-25-21(20)23(29-22)30-13-15-32-16-14-30/h1-12H,13-16H2,(H2,26,27,31)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.570	n/a	n/a	n/a	n/a	n/a	n/a
Temple University Curated by ChEMBL					Assay Description Competitive inhibition of human PI3K p110alpha/p85alpha using PIP2 as substrate preincubated for 10 mins followed by ATP addition measured after 30 m...				Bioorg Med Chem Lett 27: 3117-3122 (2017) Article DOI: 10.1016/j.bmcl.2017.05.044 BindingDB Entry DOI: 10.7270/Q2Z89FTM
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50243304 (CHEMBL4104902) Show SMILES NC(=N)NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(N3CCOCC3)c3ncccc3n2)cc1 Show InChI InChI=1S/C25H25N9O4S/c26-24(27)33-39(36,37)19-9-7-18(8-10-19)30-25(35)29-17-5-3-16(4-6-17)22-31-20-2-1-11-28-21(20)23(32-22)34-12-14-38-15-13-34/h1-11H,12-15H2,(H4,26,27,33)(H2,29,30,35)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.630	n/a	n/a	n/a	n/a	n/a	n/a
Temple University Curated by ChEMBL					Assay Description Competitive inhibition of human PI3K p110alpha/p85alpha using PIP2 as substrate preincubated for 10 mins followed by ATP addition measured after 30 m...				Bioorg Med Chem Lett 27: 3117-3122 (2017) Article DOI: 10.1016/j.bmcl.2017.05.044 BindingDB Entry DOI: 10.7270/Q2Z89FTM
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50561775 (CHEMBL4792696) Show SMILES CC(=O)Nc1ccc(NC(=O)Nc2nc(N3CCOCC3)c3ccccc3n2)cc1 Show InChI	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human PI3K p110alpha/p85alpha using PIP2 as substrate incubated for 10 mins followed by ATP addition and measured after 30 mins in pres...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00289 BindingDB Entry DOI: 10.7270/Q2DF6VXJ
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50243145 (CHEMBL3109141) Show SMILES OCc1cccc(NC(=O)Nc2ccc(cc2)-c2nc(N3CCOCC3)c3ncccc3n2)c1 Show InChI InChI=1S/C25H24N6O3/c32-16-17-3-1-4-20(15-17)28-25(33)27-19-8-6-18(7-9-19)23-29-21-5-2-10-26-22(21)24(30-23)31-11-13-34-14-12-31/h1-10,15,32H,11-14,16H2,(H2,27,28,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Temple University Curated by ChEMBL					Assay Description Competitive inhibition of human mTOR using 4EBP1 as substrate in presence of [33gammaP]-ATP after 120 mins by filter binding method				Bioorg Med Chem Lett 27: 3117-3122 (2017) Article DOI: 10.1016/j.bmcl.2017.05.044 BindingDB Entry DOI: 10.7270/Q2Z89FTM
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50561773 (CHEMBL4751330) Show SMILES OCCc1ccc(NC(=O)Nc2nc(N3CCOCC3)c3ccccc3n2)cc1 Show InChI	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human PI3K p110alpha/p85alpha using PIP2 as substrate incubated for 10 mins followed by ATP addition and measured after 30 mins in pres...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00289 BindingDB Entry DOI: 10.7270/Q2DF6VXJ
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50243144 (CHEMBL4065928) Show SMILES CNC1CCN(CC1)C(=O)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(nc(n2)N2CCOCC2)N2CCOCC2)cc1 Show InChI InChI=1S/C31H39N9O4/c1-32-24-10-12-38(13-11-24)28(41)23-4-8-26(9-5-23)34-31(42)33-25-6-2-22(3-7-25)27-35-29(39-14-18-43-19-15-39)37-30(36-27)40-16-20-44-21-17-40/h2-9,24,32H,10-21H2,1H3,(H2,33,34,42)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Temple University Curated by ChEMBL					Assay Description Competitive inhibition of human mTOR using 4EBP1 as substrate in presence of [33gammaP]-ATP after 120 mins by filter binding method				Bioorg Med Chem Lett 27: 3117-3122 (2017) Article DOI: 10.1016/j.bmcl.2017.05.044 BindingDB Entry DOI: 10.7270/Q2Z89FTM
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 240 total )  |  Next  |  Last  >>

Jump to: