Compile Data Set for Download or QSAR

Found 2098 hits with Last Name = 'khan' and Initial = 's'   

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)
Androgen receptor (Homo sapiens (Human))	BDBM8885 ((1S,2R,10R,11S,14S,15S)-14-hydroxy-2,15-dimethylte...) Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C |r,t:18| Show InChI InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-17,21H,3-10H2,1-2H3/t14-,15-,16-,17-,18-,19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank KEGG MMDB PC cid PC sid PDB UniChem Similars	DrugBank PDB Article PubMed	3.20	n/a	4.70	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology					Assay Description A series of dilutions of the compounds were prepared with 10% DMSO in HDAC assay buffer, and 5uL of the dilution was added to a 50uL reaction so that...				ACS Chem Biol 8: 2550-60 (2013) Article DOI: 10.1021/cb400542w BindingDB Entry DOI: 10.7270/Q2CR5S01
					More data for this Ligand-Target Pair				3D Structure (crystal)
5'-nucleotidase (Rattus norvegicus (Rat))	BDBM50437933 (CHEMBL2408703) Show SMILES CCOC1Oc2ccc(CC)cc2C(=O)C1=CNc1ccccc1S(N)(=O)=O |w:16.18| Show InChI InChI=1S/C20H22N2O5S/c1-3-13-9-10-17-14(11-13)19(23)15(20(27-17)26-4-2)12-22-16-7-5-6-8-18(16)28(21,24)25/h5-12,20,22H,3-4H2,1-2H3,(H2,21,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Forman Christian College (A Chartered University) Curated by ChEMBL					Assay Description Inhibition of rat Ecto-5'-nucleotidase transfected in COS7 cells preincubated for 10 mins followed by AMP addition measured after 10 mins				Eur J Med Chem 115: 484-94 (2016) Article DOI: 10.1016/j.ejmech.2016.02.073 BindingDB Entry DOI: 10.7270/Q2K939D7
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50602203 (CHEMBL5171086) Show SMILES CCCNNC(=O)c1cnc(nc1)N1CCN(Cc2c[nH]c3ccccc23)CC1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01132 BindingDB Entry DOI: 10.7270/Q2959NMG
					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	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
5'-nucleotidase (Homo sapiens (Human))	BDBM50165144 (CHEMBL3798753) Show SMILES CC(C)OC1Oc2ccccc2C(=O)\C1=C/Nc1cccc(c1)S(N)(=O)=O Show InChI InChI=1S/C19H20N2O5S/c1-12(2)25-19-16(18(22)15-8-3-4-9-17(15)26-19)11-21-13-6-5-7-14(10-13)27(20,23)24/h3-12,19,21H,1-2H3,(H2,20,23,24)/b16-11+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Forman Christian College (A Chartered University) Curated by ChEMBL					Assay Description Inhibition of human Ecto-5'-nucleotidase transfected in COS7 cells preincubated for 10 mins followed by AMP addition measured after 10 mins				Eur J Med Chem 115: 484-94 (2016) Article DOI: 10.1016/j.ejmech.2016.02.073 BindingDB Entry DOI: 10.7270/Q2K939D7
					More data for this Ligand-Target Pair
5'-nucleotidase (Homo sapiens (Human))	BDBM50165146 (CHEMBL3798795) Show SMILES CCCCOC1Oc2ccccc2C(=O)\C1=C/Nc1cccc(c1)S(N)(=O)=O Show InChI InChI=1S/C20H22N2O5S/c1-2-3-11-26-20-17(19(23)16-9-4-5-10-18(16)27-20)13-22-14-7-6-8-15(12-14)28(21,24)25/h4-10,12-13,20,22H,2-3,11H2,1H3,(H2,21,24,25)/b17-13+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Forman Christian College (A Chartered University) Curated by ChEMBL					Assay Description Inhibition of human Ecto-5'-nucleotidase transfected in COS7 cells preincubated for 10 mins followed by AMP addition measured after 10 mins				Eur J Med Chem 115: 484-94 (2016) Article DOI: 10.1016/j.ejmech.2016.02.073 BindingDB Entry DOI: 10.7270/Q2K939D7
					More data for this Ligand-Target Pair
5'-nucleotidase (Homo sapiens (Human))	BDBM50165147 (CHEMBL3797302) Show SMILES COC1Oc2ccccc2C(=O)\C1=C/Nc1cccc(c1)S(N)(=O)=O Show InChI InChI=1S/C17H16N2O5S/c1-23-17-14(16(20)13-7-2-3-8-15(13)24-17)10-19-11-5-4-6-12(9-11)25(18,21)22/h2-10,17,19H,1H3,(H2,18,21,22)/b14-10+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Forman Christian College (A Chartered University) Curated by ChEMBL					Assay Description Inhibition of human Ecto-5'-nucleotidase transfected in COS7 cells preincubated for 10 mins followed by AMP addition measured after 10 mins				Eur J Med Chem 115: 484-94 (2016) Article DOI: 10.1016/j.ejmech.2016.02.073 BindingDB Entry DOI: 10.7270/Q2K939D7
					More data for this Ligand-Target Pair
5'-nucleotidase (Rattus norvegicus (Rat))	BDBM50165143 (CHEMBL3798555) Show SMILES CC(C)OC1Oc2ccccc2C(=O)\C1=C/Nc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C19H20N2O5S/c1-12(2)25-19-16(18(22)15-5-3-4-6-17(15)26-19)11-21-13-7-9-14(10-8-13)27(20,23)24/h3-12,19,21H,1-2H3,(H2,20,23,24)/b16-11+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Forman Christian College (A Chartered University) Curated by ChEMBL					Assay Description Inhibition of rat Ecto-5'-nucleotidase transfected in COS7 cells preincubated for 10 mins followed by AMP addition measured after 10 mins				Eur J Med Chem 115: 484-94 (2016) Article DOI: 10.1016/j.ejmech.2016.02.073 BindingDB Entry DOI: 10.7270/Q2K939D7
					More data for this Ligand-Target Pair
5'-nucleotidase (Homo sapiens (Human))	BDBM50165149 (CHEMBL3799691) Show SMILES COC1Oc2ccc(Cl)cc2C(=O)\C1=C/Nc1cccc(c1)S(N)(=O)=O Show InChI InChI=1S/C17H15ClN2O5S/c1-24-17-14(16(21)13-7-10(18)5-6-15(13)25-17)9-20-11-3-2-4-12(8-11)26(19,22)23/h2-9,17,20H,1H3,(H2,19,22,23)/b14-9+	PDB UniProtKB/SwissProt 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
Forman Christian College (A Chartered University) Curated by ChEMBL					Assay Description Inhibition of human Ecto-5'-nucleotidase transfected in COS7 cells preincubated for 10 mins followed by AMP addition measured after 10 mins				Eur J Med Chem 115: 484-94 (2016) Article DOI: 10.1016/j.ejmech.2016.02.073 BindingDB Entry DOI: 10.7270/Q2K939D7
					More data for this Ligand-Target Pair
5'-nucleotidase (Rattus norvegicus (Rat))	BDBM50437939 (CHEMBL1814399) Show SMILES CCOC1Oc2c(Br)cc(Br)cc2C(=O)C1=CNc1cccc(c1)S(N)(=O)=O |w:16.18| Show InChI InChI=1S/C18H16Br2N2O5S/c1-2-26-18-14(9-22-11-4-3-5-12(8-11)28(21,24)25)16(23)13-6-10(19)7-15(20)17(13)27-18/h3-9,18,22H,2H2,1H3,(H2,21,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Forman Christian College (A Chartered University) Curated by ChEMBL					Assay Description Inhibition of rat Ecto-5'-nucleotidase transfected in COS7 cells preincubated for 10 mins followed by AMP addition measured after 10 mins				Eur J Med Chem 115: 484-94 (2016) Article DOI: 10.1016/j.ejmech.2016.02.073 BindingDB Entry DOI: 10.7270/Q2K939D7
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50602192 (CHEMBL5174998) Show SMILES CCCCCCNNC(=O)c1ccc(cc1)-c1ccc(CNC(C)=O)cc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01132 BindingDB Entry DOI: 10.7270/Q2959NMG
					More data for this Ligand-Target Pair
5'-nucleotidase (Homo sapiens (Human))	BDBM50165137 (CHEMBL3800324) Show SMILES COC1Oc2c(Cl)cc(Cl)cc2C(=O)\C1=C/Nc1ccccc1S(N)(=O)=O Show InChI InChI=1S/C17H14Cl2N2O5S/c1-25-17-11(8-21-13-4-2-3-5-14(13)27(20,23)24)15(22)10-6-9(18)7-12(19)16(10)26-17/h2-8,17,21H,1H3,(H2,20,23,24)/b11-8+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	42	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Forman Christian College (A Chartered University) Curated by ChEMBL					Assay Description Inhibition of human Ecto-5'-nucleotidase transfected in COS7 cells preincubated for 10 mins followed by AMP addition measured after 10 mins				Eur J Med Chem 115: 484-94 (2016) Article DOI: 10.1016/j.ejmech.2016.02.073 BindingDB Entry DOI: 10.7270/Q2K939D7
					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
5'-nucleotidase (Homo sapiens (Human))	BDBM50165136 (CHEMBL3800429) Show SMILES COC1Oc2c(Cl)cc(Cl)cc2C(=O)\C1=C/Nc1cccc(c1)S(N)(=O)=O Show InChI InChI=1S/C17H14Cl2N2O5S/c1-25-17-13(8-21-10-3-2-4-11(7-10)27(20,23)24)15(22)12-5-9(18)6-14(19)16(12)26-17/h2-8,17,21H,1H3,(H2,20,23,24)/b13-8+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	46	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Forman Christian College (A Chartered University) Curated by ChEMBL					Assay Description Inhibition of human Ecto-5'-nucleotidase transfected in COS7 cells preincubated for 10 mins followed by AMP addition measured after 10 mins				Eur J Med Chem 115: 484-94 (2016) Article DOI: 10.1016/j.ejmech.2016.02.073 BindingDB Entry DOI: 10.7270/Q2K939D7
					More data for this Ligand-Target Pair
5'-nucleotidase (Rattus norvegicus (Rat))	BDBM50437941 (CHEMBL1814397) Show SMILES CCOC1Oc2ccc(F)cc2C(=O)C1=CNc1cccc(c1)S(N)(=O)=O |w:15.17| Show InChI InChI=1S/C18H17FN2O5S/c1-2-25-18-15(17(22)14-8-11(19)6-7-16(14)26-18)10-21-12-4-3-5-13(9-12)27(20,23)24/h3-10,18,21H,2H2,1H3,(H2,20,23,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	47	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Forman Christian College (A Chartered University) Curated by ChEMBL					Assay Description Inhibition of rat Ecto-5'-nucleotidase transfected in COS7 cells preincubated for 10 mins followed by AMP addition measured after 10 mins				Eur J Med Chem 115: 484-94 (2016) Article DOI: 10.1016/j.ejmech.2016.02.073 BindingDB Entry DOI: 10.7270/Q2K939D7
					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
5'-nucleotidase (Rattus norvegicus (Rat))	BDBM50165126 (CHEMBL3797319) Show SMILES CCOC1Oc2ccccc2C(=O)\C1=C/Nc1ccc(cc1)S(=O)(=O)Nc1ccc(OC)nn1 Show InChI InChI=1S/C23H22N4O6S/c1-3-32-23-18(22(28)17-6-4-5-7-19(17)33-23)14-24-15-8-10-16(11-9-15)34(29,30)27-20-12-13-21(31-2)26-25-20/h4-14,23-24H,3H2,1-2H3,(H,25,27)/b18-14+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	52	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Forman Christian College (A Chartered University) Curated by ChEMBL					Assay Description Inhibition of rat Ecto-5'-nucleotidase transfected in COS7 cells preincubated for 10 mins followed by AMP addition measured after 10 mins				Eur J Med Chem 115: 484-94 (2016) Article DOI: 10.1016/j.ejmech.2016.02.073 BindingDB Entry DOI: 10.7270/Q2K939D7
					More data for this Ligand-Target Pair
5'-nucleotidase (Homo sapiens (Human))	BDBM50165143 (CHEMBL3798555) Show SMILES CC(C)OC1Oc2ccccc2C(=O)\C1=C/Nc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C19H20N2O5S/c1-12(2)25-19-16(18(22)15-5-3-4-6-17(15)26-19)11-21-13-7-9-14(10-8-13)27(20,23)24/h3-12,19,21H,1-2H3,(H2,20,23,24)/b16-11+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	53	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Forman Christian College (A Chartered University) Curated by ChEMBL					Assay Description Inhibition of human Ecto-5'-nucleotidase transfected in COS7 cells preincubated for 10 mins followed by AMP addition measured after 10 mins				Eur J Med Chem 115: 484-94 (2016) Article DOI: 10.1016/j.ejmech.2016.02.073 BindingDB Entry DOI: 10.7270/Q2K939D7
					More data for this Ligand-Target Pair
5'-nucleotidase (Rattus norvegicus (Rat))	BDBM50165150 (CHEMBL3799027) Show SMILES COC1Oc2ccc(Cl)cc2C(=O)\C1=C/Nc1ccccc1S(N)(=O)=O Show InChI InChI=1S/C18H25NO2/c1-11-5-6-13(9-12(11)2)15-10-14-7-8-16(19(14)3)17(15)18(20)21-4/h5-6,9,14-17H,7-8,10H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	62	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Forman Christian College (A Chartered University) Curated by ChEMBL					Assay Description Inhibition of rat Ecto-5'-nucleotidase transfected in COS7 cells preincubated for 10 mins followed by AMP addition measured after 10 mins				Eur J Med Chem 115: 484-94 (2016) Article DOI: 10.1016/j.ejmech.2016.02.073 BindingDB Entry DOI: 10.7270/Q2K939D7
					More data for this Ligand-Target Pair
5'-nucleotidase (Homo sapiens (Human))	BDBM50165145 (CHEMBL3800455) Show SMILES CCCCOC1Oc2ccccc2C(=O)\C1=C/Nc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C20H22N2O5S/c1-2-3-12-26-20-17(19(23)16-6-4-5-7-18(16)27-20)13-22-14-8-10-15(11-9-14)28(21,24)25/h4-11,13,20,22H,2-3,12H2,1H3,(H2,21,24,25)/b17-13+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	63	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Forman Christian College (A Chartered University) Curated by ChEMBL					Assay Description Inhibition of human Ecto-5'-nucleotidase transfected in COS7 cells preincubated for 10 mins followed by AMP addition measured after 10 mins				Eur J Med Chem 115: 484-94 (2016) Article DOI: 10.1016/j.ejmech.2016.02.073 BindingDB Entry DOI: 10.7270/Q2K939D7
					More data for this Ligand-Target Pair
5'-nucleotidase (Homo sapiens (Human))	BDBM50165150 (CHEMBL3799027) Show SMILES COC1Oc2ccc(Cl)cc2C(=O)\C1=C/Nc1ccccc1S(N)(=O)=O Show InChI InChI=1S/C18H25NO2/c1-11-5-6-13(9-12(11)2)15-10-14-7-8-16(19(14)3)17(15)18(20)21-4/h5-6,9,14-17H,7-8,10H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	64	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Forman Christian College (A Chartered University) Curated by ChEMBL					Assay Description Inhibition of human Ecto-5'-nucleotidase transfected in COS7 cells preincubated for 10 mins followed by AMP addition measured after 10 mins				Eur J Med Chem 115: 484-94 (2016) Article DOI: 10.1016/j.ejmech.2016.02.073 BindingDB Entry DOI: 10.7270/Q2K939D7
					More data for this Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme (Bos taurus (Cattle))	BDBM50165140 (CHEMBL3797297) Show SMILES COC1Oc2ccc(C)cc2C(=O)\C1=C/Nc1ccccc1S(N)(=O)=O Show InChI InChI=1S/C18H18N2O5S/c1-11-7-8-15-12(9-11)17(21)13(18(24-2)25-15)10-20-14-5-3-4-6-16(14)26(19,22)23/h3-10,18,20H,1-2H3,(H2,19,22,23)/b13-10+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	78	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Forman Christian College (A Chartered University) Curated by ChEMBL					Assay Description Inhibition of bovine tissue non-specific alkaline phosphatase preincubated for 3 to 5 mins followed by CDP-star substrate addition measured after 15 ...				Eur J Med Chem 115: 484-94 (2016) Article DOI: 10.1016/j.ejmech.2016.02.073 BindingDB Entry DOI: 10.7270/Q2K939D7
					More data for this Ligand-Target Pair
5'-nucleotidase (Homo sapiens (Human))	BDBM50165148 (CHEMBL3797640) Show SMILES COC1Oc2ccc(Cl)cc2C(=O)\C1=C/Nc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C17H15ClN2O5S/c1-24-17-14(16(21)13-8-10(18)2-7-15(13)25-17)9-20-11-3-5-12(6-4-11)26(19,22)23/h2-9,17,20H,1H3,(H2,19,22,23)/b14-9+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	79	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Forman Christian College (A Chartered University) Curated by ChEMBL					Assay Description Inhibition of human Ecto-5'-nucleotidase transfected in COS7 cells preincubated for 10 mins followed by AMP addition measured after 10 mins				Eur J Med Chem 115: 484-94 (2016) Article DOI: 10.1016/j.ejmech.2016.02.073 BindingDB Entry DOI: 10.7270/Q2K939D7
					More data for this Ligand-Target Pair
5'-nucleotidase (Rattus norvegicus (Rat))	BDBM50165148 (CHEMBL3797640) Show SMILES COC1Oc2ccc(Cl)cc2C(=O)\C1=C/Nc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C17H15ClN2O5S/c1-24-17-14(16(21)13-8-10(18)2-7-15(13)25-17)9-20-11-3-5-12(6-4-11)26(19,22)23/h2-9,17,20H,1H3,(H2,19,22,23)/b14-9+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	81	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Forman Christian College (A Chartered University) Curated by ChEMBL					Assay Description Inhibition of rat Ecto-5'-nucleotidase transfected in COS7 cells preincubated for 10 mins followed by AMP addition measured after 10 mins				Eur J Med Chem 115: 484-94 (2016) Article DOI: 10.1016/j.ejmech.2016.02.073 BindingDB Entry DOI: 10.7270/Q2K939D7
					More data for this Ligand-Target Pair
5'-nucleotidase (Rattus norvegicus (Rat))	BDBM50165137 (CHEMBL3800324) Show SMILES COC1Oc2c(Cl)cc(Cl)cc2C(=O)\C1=C/Nc1ccccc1S(N)(=O)=O Show InChI InChI=1S/C17H14Cl2N2O5S/c1-25-17-11(8-21-13-4-2-3-5-14(13)27(20,23)24)15(22)10-6-9(18)7-12(19)16(10)26-17/h2-8,17,21H,1H3,(H2,20,23,24)/b11-8+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	87	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Forman Christian College (A Chartered University) Curated by ChEMBL					Assay Description Inhibition of rat Ecto-5'-nucleotidase transfected in COS7 cells preincubated for 10 mins followed by AMP addition measured after 10 mins				Eur J Med Chem 115: 484-94 (2016) Article DOI: 10.1016/j.ejmech.2016.02.073 BindingDB Entry DOI: 10.7270/Q2K939D7
					More data for this Ligand-Target Pair
5'-nucleotidase (Homo sapiens (Human))	BDBM50165129 (CHEMBL3799469) Show SMILES COC1Oc2ccccc2C(=O)\C1=C/Nc1ccccc1S(N)(=O)=O Show InChI InChI=1S/C17H16N2O5S/c1-23-17-12(16(20)11-6-2-4-8-14(11)24-17)10-19-13-7-3-5-9-15(13)25(18,21)22/h2-10,17,19H,1H3,(H2,18,21,22)/b12-10+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	91	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Forman Christian College (A Chartered University) Curated by ChEMBL					Assay Description Inhibition of human Ecto-5'-nucleotidase transfected in COS7 cells preincubated for 10 mins followed by AMP addition measured after 10 mins				Eur J Med Chem 115: 484-94 (2016) Article DOI: 10.1016/j.ejmech.2016.02.073 BindingDB Entry DOI: 10.7270/Q2K939D7
					More data for this Ligand-Target Pair
5'-nucleotidase (Rattus norvegicus (Rat))	BDBM50437946 (CHEMBL1814392) Show SMILES CCOC1Oc2ccc(F)cc2C(=O)C1=CNc1ccc(cc1)S(N)(=O)=O |w:15.17| Show InChI InChI=1S/C18H17FN2O5S/c1-2-25-18-15(17(22)14-9-11(19)3-8-16(14)26-18)10-21-12-4-6-13(7-5-12)27(20,23)24/h3-10,18,21H,2H2,1H3,(H2,20,23,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	101	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Forman Christian College (A Chartered University) Curated by ChEMBL					Assay Description Inhibition of rat Ecto-5'-nucleotidase transfected in COS7 cells preincubated for 10 mins followed by AMP addition measured after 10 mins				Eur J Med Chem 115: 484-94 (2016) Article DOI: 10.1016/j.ejmech.2016.02.073 BindingDB Entry DOI: 10.7270/Q2K939D7
					More data for this Ligand-Target Pair
5'-nucleotidase (Rattus norvegicus (Rat))	BDBM50165149 (CHEMBL3799691) Show SMILES COC1Oc2ccc(Cl)cc2C(=O)\C1=C/Nc1cccc(c1)S(N)(=O)=O Show InChI InChI=1S/C17H15ClN2O5S/c1-24-17-14(16(21)13-7-10(18)5-6-15(13)25-17)9-20-11-3-2-4-12(8-11)26(19,22)23/h2-9,17,20H,1H3,(H2,19,22,23)/b14-9+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	113	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Forman Christian College (A Chartered University) Curated by ChEMBL					Assay Description Inhibition of rat Ecto-5'-nucleotidase transfected in COS7 cells preincubated for 10 mins followed by AMP addition measured after 10 mins				Eur J Med Chem 115: 484-94 (2016) Article DOI: 10.1016/j.ejmech.2016.02.073 BindingDB Entry DOI: 10.7270/Q2K939D7
					More data for this Ligand-Target Pair
5'-nucleotidase (Rattus norvegicus (Rat))	BDBM50165129 (CHEMBL3799469) Show SMILES COC1Oc2ccccc2C(=O)\C1=C/Nc1ccccc1S(N)(=O)=O Show InChI InChI=1S/C17H16N2O5S/c1-23-17-12(16(20)11-6-2-4-8-14(11)24-17)10-19-13-7-3-5-9-15(13)25(18,21)22/h2-10,17,19H,1H3,(H2,18,21,22)/b12-10+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	114	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Forman Christian College (A Chartered University) Curated by ChEMBL					Assay Description Inhibition of rat Ecto-5'-nucleotidase transfected in COS7 cells preincubated for 10 mins followed by AMP addition measured after 10 mins				Eur J Med Chem 115: 484-94 (2016) Article DOI: 10.1016/j.ejmech.2016.02.073 BindingDB Entry DOI: 10.7270/Q2K939D7
					More data for this Ligand-Target Pair
5'-nucleotidase (Rattus norvegicus (Rat))	BDBM50437936 (CHEMBL2408700) Show SMILES Fc1ccc2occ(C3Nc4ccccc4S(=O)(=O)N3)c(=O)c2c1 Show InChI InChI=1S/C16H11FN2O4S/c17-9-5-6-13-10(7-9)15(20)11(8-23-13)16-18-12-3-1-2-4-14(12)24(21,22)19-16/h1-8,16,18-19H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	129	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Forman Christian College (A Chartered University) Curated by ChEMBL					Assay Description Inhibition of rat Ecto-5'-nucleotidase transfected in COS7 cells preincubated for 10 mins followed by AMP addition measured after 10 mins				Eur J Med Chem 115: 484-94 (2016) Article DOI: 10.1016/j.ejmech.2016.02.073 BindingDB Entry DOI: 10.7270/Q2K939D7
					More data for this Ligand-Target Pair
5'-nucleotidase (Rattus norvegicus (Rat))	BDBM50165147 (CHEMBL3797302) Show SMILES COC1Oc2ccccc2C(=O)\C1=C/Nc1cccc(c1)S(N)(=O)=O Show InChI InChI=1S/C17H16N2O5S/c1-23-17-14(16(20)13-7-2-3-8-15(13)24-17)10-19-11-5-4-6-12(9-11)25(18,21)22/h2-10,17,19H,1H3,(H2,18,21,22)/b14-10+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	134	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Forman Christian College (A Chartered University) Curated by ChEMBL					Assay Description Inhibition of rat Ecto-5'-nucleotidase transfected in COS7 cells preincubated for 10 mins followed by AMP addition measured after 10 mins				Eur J Med Chem 115: 484-94 (2016) Article DOI: 10.1016/j.ejmech.2016.02.073 BindingDB Entry DOI: 10.7270/Q2K939D7
					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
5'-nucleotidase (Homo sapiens (Human))	BDBM50165133 (CHEMBL3798620) Show SMILES COC1Oc2c(Cl)cc(Cl)cc2C(=O)\C1=C/Nc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C17H14Cl2N2O5S/c1-25-17-13(8-21-10-2-4-11(5-3-10)27(20,23)24)15(22)12-6-9(18)7-14(19)16(12)26-17/h2-8,17,21H,1H3,(H2,20,23,24)/b13-8+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	138	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Forman Christian College (A Chartered University) Curated by ChEMBL					Assay Description Inhibition of human Ecto-5'-nucleotidase transfected in COS7 cells preincubated for 10 mins followed by AMP addition measured after 10 mins				Eur J Med Chem 115: 484-94 (2016) Article DOI: 10.1016/j.ejmech.2016.02.073 BindingDB Entry DOI: 10.7270/Q2K939D7
					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
5'-nucleotidase (Rattus norvegicus (Rat))	BDBM50165146 (CHEMBL3798795) Show SMILES CCCCOC1Oc2ccccc2C(=O)\C1=C/Nc1cccc(c1)S(N)(=O)=O Show InChI InChI=1S/C20H22N2O5S/c1-2-3-11-26-20-17(19(23)16-9-4-5-10-18(16)27-20)13-22-14-7-6-8-15(12-14)28(21,24)25/h4-10,12-13,20,22H,2-3,11H2,1H3,(H2,21,24,25)/b17-13+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	172	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Forman Christian College (A Chartered University) Curated by ChEMBL					Assay Description Inhibition of rat Ecto-5'-nucleotidase transfected in COS7 cells preincubated for 10 mins followed by AMP addition measured after 10 mins				Eur J Med Chem 115: 484-94 (2016) Article DOI: 10.1016/j.ejmech.2016.02.073 BindingDB Entry DOI: 10.7270/Q2K939D7
					More data for this Ligand-Target Pair
5'-nucleotidase (Rattus norvegicus (Rat))	BDBM50437943 (CHEMBL1814395) Show SMILES CCOC1Oc2ccc(CC)cc2C(=O)C1=CNc1ccc(cc1)S(N)(=O)=O |w:16.18| Show InChI InChI=1S/C20H22N2O5S/c1-3-13-5-10-18-16(11-13)19(23)17(20(27-18)26-4-2)12-22-14-6-8-15(9-7-14)28(21,24)25/h5-12,20,22H,3-4H2,1-2H3,(H2,21,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	178	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Forman Christian College (A Chartered University) Curated by ChEMBL					Assay Description Inhibition of rat Ecto-5'-nucleotidase transfected in COS7 cells preincubated for 10 mins followed by AMP addition measured after 10 mins				Eur J Med Chem 115: 484-94 (2016) Article DOI: 10.1016/j.ejmech.2016.02.073 BindingDB Entry DOI: 10.7270/Q2K939D7
					More data for this Ligand-Target Pair
5'-nucleotidase (Rattus norvegicus (Rat))	BDBM50437937 (CHEMBL2408699) Show SMILES O=c1c(coc2ccccc12)C1Nc2ccccc2S(=O)(=O)N1 Show InChI InChI=1S/C16H12N2O4S/c19-15-10-5-1-3-7-13(10)22-9-11(15)16-17-12-6-2-4-8-14(12)23(20,21)18-16/h1-9,16-18H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	181	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Forman Christian College (A Chartered University) Curated by ChEMBL					Assay Description Inhibition of rat Ecto-5'-nucleotidase transfected in COS7 cells preincubated for 10 mins followed by AMP addition measured after 10 mins				Eur J Med Chem 115: 484-94 (2016) Article DOI: 10.1016/j.ejmech.2016.02.073 BindingDB Entry DOI: 10.7270/Q2K939D7
					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
Intestinal-type alkaline phosphatase (Bos taurus (Cattle))	BDBM50165143 (CHEMBL3798555) Show SMILES CC(C)OC1Oc2ccccc2C(=O)\C1=C/Nc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C19H20N2O5S/c1-12(2)25-19-16(18(22)15-5-3-4-6-17(15)26-19)11-21-13-7-9-14(10-8-13)27(20,23)24/h3-12,19,21H,1-2H3,(H2,20,23,24)/b16-11+	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Forman Christian College (A Chartered University) Curated by ChEMBL					Assay Description Inhibition of calf intestinal alkaline phosphatase preincubated for 3 to 5 mins followed by CDP-star substrate addition measured after 15 mins by lum...				Eur J Med Chem 115: 484-94 (2016) Article DOI: 10.1016/j.ejmech.2016.02.073 BindingDB Entry DOI: 10.7270/Q2K939D7
					More data for this Ligand-Target Pair
5'-nucleotidase (Rattus norvegicus (Rat))	BDBM50165136 (CHEMBL3800429) Show SMILES COC1Oc2c(Cl)cc(Cl)cc2C(=O)\C1=C/Nc1cccc(c1)S(N)(=O)=O Show InChI InChI=1S/C17H14Cl2N2O5S/c1-25-17-13(8-21-10-3-2-4-11(7-10)27(20,23)24)15(22)12-5-9(18)6-14(19)16(12)26-17/h2-8,17,21H,1H3,(H2,20,23,24)/b13-8+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	229	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Forman Christian College (A Chartered University) Curated by ChEMBL					Assay Description Inhibition of rat Ecto-5'-nucleotidase transfected in COS7 cells preincubated for 10 mins followed by AMP addition measured after 10 mins				Eur J Med Chem 115: 484-94 (2016) Article DOI: 10.1016/j.ejmech.2016.02.073 BindingDB Entry DOI: 10.7270/Q2K939D7
					More data for this Ligand-Target Pair
Intestinal-type alkaline phosphatase (Bos taurus (Cattle))	BDBM50165128 (CHEMBL3799629) Show SMILES COC1Oc2ccccc2C(=O)\C1=C/Nc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C17H16N2O5S/c1-23-17-14(16(20)13-4-2-3-5-15(13)24-17)10-19-11-6-8-12(9-7-11)25(18,21)22/h2-10,17,19H,1H3,(H2,18,21,22)/b14-10+	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Forman Christian College (A Chartered University) Curated by ChEMBL					Assay Description Inhibition of calf intestinal alkaline phosphatase preincubated for 3 to 5 mins followed by CDP-star substrate addition measured after 15 mins by lum...				Eur J Med Chem 115: 484-94 (2016) Article DOI: 10.1016/j.ejmech.2016.02.073 BindingDB Entry DOI: 10.7270/Q2K939D7
					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
5'-nucleotidase (Rattus norvegicus (Rat))	BDBM50437940 (CHEMBL1814398) Show SMILES CCOC1Oc2ccc(Br)cc2C(=O)C1=CNc1cccc(c1)S(N)(=O)=O |w:15.17| Show InChI InChI=1S/C18H17BrN2O5S/c1-2-25-18-15(17(22)14-8-11(19)6-7-16(14)26-18)10-21-12-4-3-5-13(9-12)27(20,23)24/h3-10,18,21H,2H2,1H3,(H2,20,23,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	292	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Forman Christian College (A Chartered University) Curated by ChEMBL					Assay Description Inhibition of rat Ecto-5'-nucleotidase transfected in COS7 cells preincubated for 10 mins followed by AMP addition measured after 10 mins				Eur J Med Chem 115: 484-94 (2016) Article DOI: 10.1016/j.ejmech.2016.02.073 BindingDB Entry DOI: 10.7270/Q2K939D7
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 2098 total )  |  Next  |  Last  >>

Jump to: