Compile Data Set for Download or QSAR

Found 27 hits with Last Name = 'girón' and Initial = 'r'   

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
Cholinesterase (Equus caballus (Horse))	BDBM50447027 (CHEMBL3116284) Show SMILES C(Cn1nc(OCc2cccc3ccccc23)c2ccccc12)N1CCCCC1 Show InChI InChI=1S/C25H27N3O/c1-6-15-27(16-7-1)17-18-28-24-14-5-4-13-23(24)25(26-28)29-19-21-11-8-10-20-9-2-3-12-22(20)21/h2-5,8-14H,1,6-7,15-19H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	910	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica M£dica (CSIC) Curated by ChEMBL					Assay Description Inhibition of horse serum BuChE using butyrylthiocholine as substrate by Ellman's method				Eur J Med Chem 73: 56-72 (2014) Article DOI: 10.1016/j.ejmech.2013.11.026 BindingDB Entry DOI: 10.7270/Q2474CC8
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50447026 (CHEMBL3116286) Show SMILES C(Cn1nc(OCc2ccc3ccccc3c2)c2ccccc12)N1CCCCC1 Show InChI InChI=1S/C25H27N3O/c1-6-14-27(15-7-1)16-17-28-24-11-5-4-10-23(24)25(26-28)29-19-20-12-13-21-8-2-3-9-22(21)18-20/h2-5,8-13,18H,1,6-7,14-17,19H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica M£dica (CSIC) Curated by ChEMBL					Assay Description Inhibition of horse serum BuChE using butyrylthiocholine as substrate by Ellman's method				Eur J Med Chem 73: 56-72 (2014) Article DOI: 10.1016/j.ejmech.2013.11.026 BindingDB Entry DOI: 10.7270/Q2474CC8
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50447015 (CHEMBL3116300) Show SMILES Nc1ccc2n(CCN3CCCCC3)nc(OCc3ccc4ccccc4c3)c2c1 Show InChI InChI=1S/C25H28N4O/c26-22-10-11-24-23(17-22)25(27-29(24)15-14-28-12-4-1-5-13-28)30-18-19-8-9-20-6-2-3-7-21(20)16-19/h2-3,6-11,16-17H,1,4-5,12-15,18,26H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica M£dica (CSIC) Curated by ChEMBL					Assay Description Inhibition of horse serum BuChE using butyrylthiocholine as substrate by Ellman's method				Eur J Med Chem 73: 56-72 (2014) Article DOI: 10.1016/j.ejmech.2013.11.026 BindingDB Entry DOI: 10.7270/Q2474CC8
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50447020 (CHEMBL3116294) Show SMILES [O-][N+](=O)c1ccc2n(CCN3CCCCC3)nc(OCc3ccc4ccccc4c3)c2c1 Show InChI InChI=1S/C25H26N4O3/c30-29(31)22-10-11-24-23(17-22)25(26-28(24)15-14-27-12-4-1-5-13-27)32-18-19-8-9-20-6-2-3-7-21(20)16-19/h2-3,6-11,16-17H,1,4-5,12-15,18H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.07E+3	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica M£dica (CSIC) Curated by ChEMBL					Assay Description Inhibition of horse serum BuChE using butyrylthiocholine as substrate by Ellman's method				Eur J Med Chem 73: 56-72 (2014) Article DOI: 10.1016/j.ejmech.2013.11.026 BindingDB Entry DOI: 10.7270/Q2474CC8
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50447030 (CHEMBL3116280) Show SMILES COc1ccc(COc2nn(CCN(C(C)C)C(C)C)c3ccccc23)cc1 Show InChI InChI=1S/C23H31N3O2/c1-17(2)25(18(3)4)14-15-26-22-9-7-6-8-21(22)23(24-26)28-16-19-10-12-20(27-5)13-11-19/h6-13,17-18H,14-16H2,1-5H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.28E+3	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica M£dica (CSIC) Curated by ChEMBL					Assay Description Inhibition of horse serum BuChE using butyrylthiocholine as substrate by Ellman's method				Eur J Med Chem 73: 56-72 (2014) Article DOI: 10.1016/j.ejmech.2013.11.026 BindingDB Entry DOI: 10.7270/Q2474CC8
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM8960 ((+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimet...) Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC Show InChI InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica M£dica (CSIC) Curated by ChEMBL					Assay Description Inhibition of horse serum BuChE using butyrylthiocholine as substrate by Ellman's method				Eur J Med Chem 73: 56-72 (2014) Article DOI: 10.1016/j.ejmech.2013.11.026 BindingDB Entry DOI: 10.7270/Q2474CC8
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50447028 (CHEMBL3116283) Show SMILES C(Cn1nc(OCc2cccc3ccccc23)c2ccccc12)N1CCCC1 Show InChI InChI=1S/C24H25N3O/c1-2-11-21-19(8-1)9-7-10-20(21)18-28-24-22-12-3-4-13-23(22)27(25-24)17-16-26-14-5-6-15-26/h1-4,7-13H,5-6,14-18H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica M£dica (CSIC) Curated by ChEMBL					Assay Description Inhibition of horse serum BuChE using butyrylthiocholine as substrate by Ellman's method				Eur J Med Chem 73: 56-72 (2014) Article DOI: 10.1016/j.ejmech.2013.11.026 BindingDB Entry DOI: 10.7270/Q2474CC8
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50447018 (CHEMBL3116296) Show SMILES [O-][N+](=O)c1ccc2n(Cc3ccccc3)nc(OCc3ccc4ccccc4c3)c2c1 Show InChI InChI=1S/C25H19N3O3/c29-28(30)22-12-13-24-23(15-22)25(26-27(24)16-18-6-2-1-3-7-18)31-17-19-10-11-20-8-4-5-9-21(20)14-19/h1-15H,16-17H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica M£dica (CSIC) Curated by ChEMBL					Assay Description Inhibition of horse serum BuChE using butyrylthiocholine as substrate by Ellman's method				Eur J Med Chem 73: 56-72 (2014) Article DOI: 10.1016/j.ejmech.2013.11.026 BindingDB Entry DOI: 10.7270/Q2474CC8
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50447029 (CHEMBL3116281) Show SMILES COc1ccc(COc2nn(Cc3ccc(OC)cc3)c3ccccc23)cc1 Show InChI InChI=1S/C23H22N2O3/c1-26-19-11-7-17(8-12-19)15-25-22-6-4-3-5-21(22)23(24-25)28-16-18-9-13-20(27-2)14-10-18/h3-14H,15-16H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica M£dica (CSIC) Curated by ChEMBL					Assay Description Inhibition of horse serum BuChE using butyrylthiocholine as substrate by Ellman's method				Eur J Med Chem 73: 56-72 (2014) Article DOI: 10.1016/j.ejmech.2013.11.026 BindingDB Entry DOI: 10.7270/Q2474CC8
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50447025 (CHEMBL3116287) Show SMILES CCCCCOc1nn(CCCCC)c2ccc(cc12)[N+]([O-])=O Show InChI InChI=1S/C17H25N3O3/c1-3-5-7-11-19-16-10-9-14(20(21)22)13-15(16)17(18-19)23-12-8-6-4-2/h9-10,13H,3-8,11-12H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica M£dica (CSIC) Curated by ChEMBL					Assay Description Inhibition of horse serum BuChE using butyrylthiocholine as substrate by Ellman's method				Eur J Med Chem 73: 56-72 (2014) Article DOI: 10.1016/j.ejmech.2013.11.026 BindingDB Entry DOI: 10.7270/Q2474CC8
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50447024 (CHEMBL3116288) Show SMILES [O-][N+](=O)c1ccc2n(Cc3ccccc3)nc(OCC3CCCCC3)c2c1 Show InChI InChI=1S/C21H23N3O3/c25-24(26)18-11-12-20-19(13-18)21(27-15-17-9-5-2-6-10-17)22-23(20)14-16-7-3-1-4-8-16/h1,3-4,7-8,11-13,17H,2,5-6,9-10,14-15H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica M£dica (CSIC) Curated by ChEMBL					Assay Description Inhibition of horse serum BuChE using butyrylthiocholine as substrate by Ellman's method				Eur J Med Chem 73: 56-72 (2014) Article DOI: 10.1016/j.ejmech.2013.11.026 BindingDB Entry DOI: 10.7270/Q2474CC8
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50447023 (CHEMBL1973869) Show SMILES [O-][N+](=O)c1ccc2n(Cc3ccccc3)nc(OCc3ccccc3)c2c1 Show InChI InChI=1S/C21H17N3O3/c25-24(26)18-11-12-20-19(13-18)21(27-15-17-9-5-2-6-10-17)22-23(20)14-16-7-3-1-4-8-16/h1-13H,14-15H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica M£dica (CSIC) Curated by ChEMBL					Assay Description Inhibition of horse serum BuChE using butyrylthiocholine as substrate by Ellman's method				Eur J Med Chem 73: 56-72 (2014) Article DOI: 10.1016/j.ejmech.2013.11.026 BindingDB Entry DOI: 10.7270/Q2474CC8
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50447022 (CHEMBL3116289) Show SMILES CCCCCn1nc(OCc2ccc(OC)cc2)c2cc(ccc12)[N+]([O-])=O Show InChI InChI=1S/C20H23N3O4/c1-3-4-5-12-22-19-11-8-16(23(24)25)13-18(19)20(21-22)27-14-15-6-9-17(26-2)10-7-15/h6-11,13H,3-5,12,14H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica M£dica (CSIC) Curated by ChEMBL					Assay Description Inhibition of horse serum BuChE using butyrylthiocholine as substrate by Ellman's method				Eur J Med Chem 73: 56-72 (2014) Article DOI: 10.1016/j.ejmech.2013.11.026 BindingDB Entry DOI: 10.7270/Q2474CC8
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50447021 (CHEMBL3116293) Show SMILES CCCCCn1nc(OCc2ccc3ccccc3c2)c2cc(ccc12)[N+]([O-])=O Show InChI InChI=1S/C23H23N3O3/c1-2-3-6-13-25-22-12-11-20(26(27)28)15-21(22)23(24-25)29-16-17-9-10-18-7-4-5-8-19(18)14-17/h4-5,7-12,14-15H,2-3,6,13,16H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica M£dica (CSIC) Curated by ChEMBL					Assay Description Inhibition of horse serum BuChE using butyrylthiocholine as substrate by Ellman's method				Eur J Med Chem 73: 56-72 (2014) Article DOI: 10.1016/j.ejmech.2013.11.026 BindingDB Entry DOI: 10.7270/Q2474CC8
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50447019 (CHEMBL3116295) Show SMILES [O-][N+](=O)c1ccc2n(CCN3CCOCC3)nc(OCc3ccc4ccccc4c3)c2c1 Show InChI InChI=1S/C24H24N4O4/c29-28(30)21-7-8-23-22(16-21)24(25-27(23)10-9-26-11-13-31-14-12-26)32-17-18-5-6-19-3-1-2-4-20(19)15-18/h1-8,15-16H,9-14,17H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica M£dica (CSIC) Curated by ChEMBL					Assay Description Inhibition of horse serum BuChE using butyrylthiocholine as substrate by Ellman's method				Eur J Med Chem 73: 56-72 (2014) Article DOI: 10.1016/j.ejmech.2013.11.026 BindingDB Entry DOI: 10.7270/Q2474CC8
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50447031 (CHEMBL3116278) Show SMILES C(Oc1nn(CC2CCCCC2)c2ccccc12)C1CCCCC1 Show InChI InChI=1S/C21H30N2O/c1-3-9-17(10-4-1)15-23-20-14-8-7-13-19(20)21(22-23)24-16-18-11-5-2-6-12-18/h7-8,13-14,17-18H,1-6,9-12,15-16H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica M£dica (CSIC) Curated by ChEMBL					Assay Description Inhibition of horse serum BuChE using butyrylthiocholine as substrate by Ellman's method				Eur J Med Chem 73: 56-72 (2014) Article DOI: 10.1016/j.ejmech.2013.11.026 BindingDB Entry DOI: 10.7270/Q2474CC8
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50447016 (CHEMBL3116298) Show SMILES Nc1ccc2n(Cc3ccccc3)nc(OCc3ccccc3)c2c1 Show InChI InChI=1S/C21H19N3O/c22-18-11-12-20-19(13-18)21(25-15-17-9-5-2-6-10-17)23-24(20)14-16-7-3-1-4-8-16/h1-13H,14-15,22H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica M£dica (CSIC) Curated by ChEMBL					Assay Description Inhibition of horse serum BuChE using butyrylthiocholine as substrate by Ellman's method				Eur J Med Chem 73: 56-72 (2014) Article DOI: 10.1016/j.ejmech.2013.11.026 BindingDB Entry DOI: 10.7270/Q2474CC8
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50447017 (CHEMBL3116297) Show SMILES [O-][N+](=O)c1ccc2n(Cc3ccc4ccccc4c3)nc(OCc3ccc4ccccc4c3)c2c1 Show InChI InChI=1S/C29H21N3O3/c33-32(34)26-13-14-28-27(17-26)29(35-19-21-10-12-23-6-2-4-8-25(23)16-21)30-31(28)18-20-9-11-22-5-1-3-7-24(22)15-20/h1-17H,18-19H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica M£dica (CSIC) Curated by ChEMBL					Assay Description Inhibition of horse serum BuChE using butyrylthiocholine as substrate by Ellman's method				Eur J Med Chem 73: 56-72 (2014) Article DOI: 10.1016/j.ejmech.2013.11.026 BindingDB Entry DOI: 10.7270/Q2474CC8
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Mus musculus (Mouse))	BDBM50292327 (CHEMBL241774 | N-(piperidin-1-yl)-3-(4-chloropheny...) Show SMILES CCCCCCN1C(=CC(=NS1(=O)=O)C(=O)NN1CCCCC1)c1ccc(Cl)cc1 |c:7,9| Show InChI InChI=1S/C21H29ClN4O3S/c1-2-3-4-8-15-26-20(17-9-11-18(22)12-10-17)16-19(24-30(26,28)29)21(27)23-25-13-6-5-7-14-25/h9-12,16H,2-8,13-15H2,1H3,(H,23,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	8.44E+3	n/a	n/a	n/a	n/a
Instituto de Química Médica Curated by ChEMBL					Assay Description Agonist activity at CB1 receptor in ICR mouse vas deferens assessed as inhibition of electrically-stimulated contraction				Bioorg Med Chem 15: 7480-93 (2007) Article DOI: 10.1016/j.bmc.2007.07.056 BindingDB Entry DOI: 10.7270/Q2M04551
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Mus musculus (Mouse))	BDBM21281 ((11R)-2-methyl-11-(morpholin-4-ylmethyl)-3-(naphth...) Show SMILES Cc1c(C(=O)c2cccc3ccccc23)c2cccc3OC[C@@H](CN4CCOCC4)n1c23 |r| Show InChI InChI=1S/C27H26N2O3/c1-18-25(27(30)22-9-4-7-19-6-2-3-8-21(19)22)23-10-5-11-24-26(23)29(18)20(17-32-24)16-28-12-14-31-15-13-28/h2-11,20H,12-17H2,1H3/t20-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	1.45E+3	n/a	n/a	n/a	n/a
Instituto de Química Médica Curated by ChEMBL					Assay Description Agonist activity at CB1 receptor in ICR mouse vas deferens assessed as inhibition of electrically-stimulated contraction				Bioorg Med Chem 15: 7480-93 (2007) Article DOI: 10.1016/j.bmc.2007.07.056 BindingDB Entry DOI: 10.7270/Q2M04551
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Mus musculus (Mouse))	BDBM50292325 (CHEMBL240109 | N-cyclohexyl-2-(2,4-dichlorobenzyl)...) Show SMILES Cc1cc(ccc1Cl)C1=CC(=NS(=O)(=O)N1Cc1ccc(Cl)cc1Cl)C(=O)NC1CCCCC1 |c:11,t:9| Show InChI InChI=1S/C24H24Cl3N3O3S/c1-15-11-16(8-10-20(15)26)23-13-22(24(31)28-19-5-3-2-4-6-19)29-34(32,33)30(23)14-17-7-9-18(25)12-21(17)27/h7-13,19H,2-6,14H2,1H3,(H,28,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	3.69E+4	n/a	n/a	n/a	n/a
Instituto de Química Médica Curated by ChEMBL					Assay Description Agonist activity at CB1 receptor in ICR mouse vas deferens assessed as inhibition of electrically-stimulated contraction				Bioorg Med Chem 15: 7480-93 (2007) Article DOI: 10.1016/j.bmc.2007.07.056 BindingDB Entry DOI: 10.7270/Q2M04551
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Mus musculus (Mouse))	BDBM50292326 (CHEMBL239257 | N-(piperidin-1-yl)-2-hexyl-3-methyl...) Show SMILES CCCCCCN1C(C)=CC(=NS1(=O)=O)C(=O)NN1CCCCC1 |c:8,10| Show InChI InChI=1S/C16H28N4O3S/c1-3-4-5-9-12-20-14(2)13-15(18-24(20,22)23)16(21)17-19-10-7-6-8-11-19/h13H,3-12H2,1-2H3,(H,17,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	3.69E+4	n/a	n/a	n/a	n/a
Instituto de Química Médica Curated by ChEMBL					Assay Description Agonist activity at CB1 receptor in ICR mouse vas deferens assessed as inhibition of electrically-stimulated contraction				Bioorg Med Chem 15: 7480-93 (2007) Article DOI: 10.1016/j.bmc.2007.07.056 BindingDB Entry DOI: 10.7270/Q2M04551
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Mus musculus (Mouse))	BDBM50292329 (CHEMBL240324 | N-(piperidin-1-yl)-2-benzyl-3-(4-ch...) Show SMILES Clc1ccc(cc1)C1=CC(=NS(=O)(=O)N1Cc1ccccc1)C(=O)NN1CCCCC1 |c:10,t:8| Show InChI InChI=1S/C22H23ClN4O3S/c23-19-11-9-18(10-12-19)21-15-20(22(28)24-26-13-5-2-6-14-26)25-31(29,30)27(21)16-17-7-3-1-4-8-17/h1,3-4,7-12,15H,2,5-6,13-14,16H2,(H,24,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.35E+4	n/a	n/a	n/a	n/a
Instituto de Química Médica Curated by ChEMBL					Assay Description Agonist activity at CB1 receptor in ICR mouse vas deferens assessed as inhibition of electrically-stimulated contraction				Bioorg Med Chem 15: 7480-93 (2007) Article DOI: 10.1016/j.bmc.2007.07.056 BindingDB Entry DOI: 10.7270/Q2M04551
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Mus musculus (Mouse))	BDBM50292328 (CHEMBL241567 | N-(1,3,3-trimethylbicyclo[2.2.1]hep...) Show SMILES CC1(C)C2CCC(C)(C2)C1NC(=O)C1=NS(=O)(=O)N(Cc2ccccc2)C(=C1)c1ccc(Cl)cc1 |w:3.3,9.11,6.6,c:29,t:15,TEB:10:9:4.5:8| Show InChI InChI=1S/C27H30ClN3O3S/c1-26(2)20-13-14-27(3,16-20)25(26)29-24(32)22-15-23(19-9-11-21(28)12-10-19)31(35(33,34)30-22)17-18-7-5-4-6-8-18/h4-12,15,20,25H,13-14,16-17H2,1-3H3,(H,29,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.19E+4	n/a	n/a	n/a	n/a
Instituto de Química Médica Curated by ChEMBL					Assay Description Agonist activity at CB1 receptor in ICR mouse vas deferens assessed as inhibition of electrically-stimulated contraction				Bioorg Med Chem 15: 7480-93 (2007) Article DOI: 10.1016/j.bmc.2007.07.056 BindingDB Entry DOI: 10.7270/Q2M04551
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Mus musculus (Mouse))	BDBM21278 (5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl...) Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 Show InChI InChI=1S/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	8.99E+3	n/a	n/a	n/a	n/a
Instituto de Química Médica Curated by ChEMBL					Assay Description Agonist activity at CB1 receptor in ICR mouse vas deferens assessed as inhibition of electrically-stimulated contraction				Bioorg Med Chem 15: 7480-93 (2007) Article DOI: 10.1016/j.bmc.2007.07.056 BindingDB Entry DOI: 10.7270/Q2M04551
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Mus musculus (Mouse))	BDBM50292330 (CHEMBL391839 | N-(piperidin-1-yl)-3-(4-bromophenyl...) Show SMILES Brc1ccc(cc1)C1=CC(=NS(=O)(=O)N1C1CCCCC1)C(=O)NN1CCCCC1 |c:10,t:8| Show InChI InChI=1S/C21H27BrN4O3S/c22-17-11-9-16(10-12-17)20-15-19(21(27)23-25-13-5-2-6-14-25)24-30(28,29)26(20)18-7-3-1-4-8-18/h9-12,15,18H,1-8,13-14H2,(H,23,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	3.84E+4	n/a	n/a	n/a	n/a
Instituto de Química Médica Curated by ChEMBL					Assay Description Agonist activity at CB1 receptor in ICR mouse vas deferens assessed as inhibition of electrically-stimulated contraction				Bioorg Med Chem 15: 7480-93 (2007) Article DOI: 10.1016/j.bmc.2007.07.056 BindingDB Entry DOI: 10.7270/Q2M04551
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Mus musculus (Mouse))	BDBM50292324 (CHEMBL393324 | N-phenyl-2-benzyl-3-(4-chlorophenyl...) Show SMILES Clc1ccc(cc1)C1=CC(=NS(=O)(=O)N1Cc1ccccc1)C(=O)Nc1ccccc1 |c:10,t:8| Show InChI InChI=1S/C23H18ClN3O3S/c24-19-13-11-18(12-14-19)22-15-21(23(28)25-20-9-5-2-6-10-20)26-31(29,30)27(22)16-17-7-3-1-4-8-17/h1-15H,16H2,(H,25,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	5.73E+3	n/a	n/a	n/a	n/a
Instituto de Química Médica Curated by ChEMBL					Assay Description Agonist activity at CB1 receptor in ICR mouse vas deferens assessed as inhibition of electrically-stimulated contraction				Bioorg Med Chem 15: 7480-93 (2007) Article DOI: 10.1016/j.bmc.2007.07.056 BindingDB Entry DOI: 10.7270/Q2M04551
					More data for this Ligand-Target Pair