Compile Data Set for Download or QSAR

Found 221 hits with Last Name = 'hazra' and Initial = 'a'   

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
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM21015 ((2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl...) Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCCO Show InChI InChI=1S/C26H35N5O6/c1-17(30-25(36)21(27)14-19-8-10-20(33)11-9-19)24(35)29-16-23(34)31(2)22(26(37)28-12-13-32)15-18-6-4-3-5-7-18/h3-11,17,21-22,32-33H,12-16,27H2,1-2H3,(H,28,37)(H,29,35)(H,30,36)/t17-,21+,22+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.01	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Chemical Biology Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from mu opioid receptor in rat brain				Bioorg Med Chem 17: 5782-90 (2009) Article DOI: 10.1016/j.bmc.2009.07.024 BindingDB Entry DOI: 10.7270/Q2VQ32RF
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50304074 (2-(2-methylquinolin-4-ylamino)-N-phenylacetamide |...) Show SMILES Cc1cc(NCC(=O)Nc2ccccc2)c2ccccc2n1 Show InChI InChI=1S/C18H17N3O/c1-13-11-17(15-9-5-6-10-16(15)20-13)19-12-18(22)21-14-7-3-2-4-8-14/h2-11H,12H2,1H3,(H,19,20)(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.03	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Chemical Biology Curated by ChEMBL					Assay Description Displacement of [3H]dynorphin from human kappa opioid receptor expressed in C6 giloma cells				Bioorg Med Chem 17: 5782-90 (2009) Article DOI: 10.1016/j.bmc.2009.07.024 BindingDB Entry DOI: 10.7270/Q2VQ32RF
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50304074 (2-(2-methylquinolin-4-ylamino)-N-phenylacetamide |...) Show SMILES Cc1cc(NCC(=O)Nc2ccccc2)c2ccccc2n1 Show InChI InChI=1S/C18H17N3O/c1-13-11-17(15-9-5-6-10-16(15)20-13)19-12-18(22)21-14-7-3-2-4-8-14/h2-11H,12H2,1H3,(H,19,20)(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.15	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Chemical Biology Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from mu opioid receptor in rat brain				Bioorg Med Chem 17: 5782-90 (2009) Article DOI: 10.1016/j.bmc.2009.07.024 BindingDB Entry DOI: 10.7270/Q2VQ32RF
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50000296 (CHEMBL441765 | CHEMBL482811 | U-50488H | US1149237...) Show SMILES CN([C@@H]1CCCC[C@H]1N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C19H26Cl2N2O/c1-22(19(24)13-14-8-9-15(20)16(21)12-14)17-6-2-3-7-18(17)23-10-4-5-11-23/h8-9,12,17-18H,2-7,10-11,13H2,1H3/t17-,18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.99	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Chemical Biology Curated by ChEMBL					Assay Description Displacement of [3H]dynorphin from human kappa opioid receptor expressed in C6 giloma cells				Bioorg Med Chem 17: 5782-90 (2009) Article DOI: 10.1016/j.bmc.2009.07.024 BindingDB Entry DOI: 10.7270/Q2VQ32RF
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50263562 (1-(2-chlorophenylsulfonyl)-1,5,6,7,8,9-hexahydroaz...) Show SMILES Clc1ccccc1S(=O)(=O)n1ccc2cc3CCNCCc3cc12 Show InChI InChI=1S/C18H17ClN2O2S/c19-16-3-1-2-4-18(16)24(22,23)21-10-7-15-11-13-5-8-20-9-6-14(13)12-17(15)21/h1-4,7,10-12,20H,5-6,8-9H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human CYP3A4 by microtiter plate assays using N-N,diethyl-formamide as substrate				Bioorg Med Chem Lett 18: 5698-700 (2008) Article DOI: 10.1016/j.bmcl.2008.08.010 BindingDB Entry DOI: 10.7270/Q28W3D5D
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50263563 (1-(3-chlorophenylsulfonyl)-1,5,6,7,8,9-hexahydroaz...) Show SMILES Clc1cccc(c1)S(=O)(=O)n1ccc2cc3CCNCCc3cc12 Show InChI InChI=1S/C18H17ClN2O2S/c19-16-2-1-3-17(12-16)24(22,23)21-9-6-15-10-13-4-7-20-8-5-14(13)11-18(15)21/h1-3,6,9-12,20H,4-5,7-8H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human CYP3A4 by microtiter plate assays using N-N,diethyl-formamide as substrate				Bioorg Med Chem Lett 18: 5698-700 (2008) Article DOI: 10.1016/j.bmcl.2008.08.010 BindingDB Entry DOI: 10.7270/Q28W3D5D
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50263562 (1-(2-chlorophenylsulfonyl)-1,5,6,7,8,9-hexahydroaz...) Show SMILES Clc1ccccc1S(=O)(=O)n1ccc2cc3CCNCCc3cc12 Show InChI InChI=1S/C18H17ClN2O2S/c19-16-3-1-2-4-18(16)24(22,23)21-10-7-15-11-13-5-8-20-9-6-14(13)12-17(15)21/h1-4,7,10-12,20H,5-6,8-9H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human CYP3A4 by microtiter plate assays using PPR substrate				Bioorg Med Chem Lett 18: 5698-700 (2008) Article DOI: 10.1016/j.bmcl.2008.08.010 BindingDB Entry DOI: 10.7270/Q28W3D5D
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50263563 (1-(3-chlorophenylsulfonyl)-1,5,6,7,8,9-hexahydroaz...) Show SMILES Clc1cccc(c1)S(=O)(=O)n1ccc2cc3CCNCCc3cc12 Show InChI InChI=1S/C18H17ClN2O2S/c19-16-2-1-3-17(12-16)24(22,23)21-9-6-15-10-13-4-7-20-8-5-14(13)11-18(15)21/h1-3,6,9-12,20H,4-5,7-8H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human CYP3A4 by microtiter plate assays using PPR substrate				Bioorg Med Chem Lett 18: 5698-700 (2008) Article DOI: 10.1016/j.bmcl.2008.08.010 BindingDB Entry DOI: 10.7270/Q28W3D5D
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50263617 (1-methyl-3-(phenylsulfonyl)-1,5,6,7,8,9-hexahydroa...) Show SMILES Cn1cc(c2cc3CCNCCc3cc12)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C19H20N2O2S/c1-21-13-19(24(22,23)16-5-3-2-4-6-16)17-11-14-7-9-20-10-8-15(14)12-18(17)21/h2-6,11-13,20H,7-10H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human CYP3A4 by microtiter plate assays using N-N,diethyl-formamide as substrate				Bioorg Med Chem Lett 18: 5698-700 (2008) Article DOI: 10.1016/j.bmcl.2008.08.010 BindingDB Entry DOI: 10.7270/Q28W3D5D
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50263566 (1-(thiophen-3-ylsulfonyl)-1,5,6,7,8,9-hexahydroaze...) Show SMILES O=S(=O)(c1ccsc1)n1ccc2cc3CCNCCc3cc12 Show InChI InChI=1S/C16H16N2O2S2/c19-22(20,15-4-8-21-11-15)18-7-3-14-9-12-1-5-17-6-2-13(12)10-16(14)18/h3-4,7-11,17H,1-2,5-6H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human CYP3A4 by microtiter plate assays using N-N,diethyl-formamide as substrate				Bioorg Med Chem Lett 18: 5698-700 (2008) Article DOI: 10.1016/j.bmcl.2008.08.010 BindingDB Entry DOI: 10.7270/Q28W3D5D
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50263615 (3-chloro-1-(3-chlorophenylsulfonyl)-1,5,6,7,8,9-he...) Show SMILES Clc1cn(c2cc3CCNCCc3cc12)S(=O)(=O)c1cccc(Cl)c1 Show InChI InChI=1S/C18H16Cl2N2O2S/c19-14-2-1-3-15(10-14)25(23,24)22-11-17(20)16-8-12-4-6-21-7-5-13(12)9-18(16)22/h1-3,8-11,21H,4-7H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human CYP3A4 by microtiter plate assays using N-N,diethyl-formamide as substrate				Bioorg Med Chem Lett 18: 5698-700 (2008) Article DOI: 10.1016/j.bmcl.2008.08.010 BindingDB Entry DOI: 10.7270/Q28W3D5D
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50263614 (3-chloro-1-(phenylsulfonyl)-1,5,6,7,8,9-hexahydroa...) Show SMILES Clc1cn(c2cc3CCNCCc3cc12)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C18H17ClN2O2S/c19-17-12-21(24(22,23)15-4-2-1-3-5-15)18-11-14-7-9-20-8-6-13(14)10-16(17)18/h1-5,10-12,20H,6-9H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human CYP3A4 by microtiter plate assays using N-N,diethyl-formamide as substrate				Bioorg Med Chem Lett 18: 5698-700 (2008) Article DOI: 10.1016/j.bmcl.2008.08.010 BindingDB Entry DOI: 10.7270/Q28W3D5D
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50263518 (1-(phenylsulfonyl)-1,5,6,7,8,9-hexahydroazepino[4,...) Show SMILES O=S(=O)(c1ccccc1)n1ccc2cc3CCNCCc3cc12 Show InChI InChI=1S/C18H18N2O2S/c21-23(22,17-4-2-1-3-5-17)20-11-8-16-12-14-6-9-19-10-7-15(14)13-18(16)20/h1-5,8,11-13,19H,6-7,9-10H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human CYP3A4 by microtiter plate assays using N-N,diethyl-formamide as substrate				Bioorg Med Chem Lett 18: 5698-700 (2008) Article DOI: 10.1016/j.bmcl.2008.08.010 BindingDB Entry DOI: 10.7270/Q28W3D5D
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50263617 (1-methyl-3-(phenylsulfonyl)-1,5,6,7,8,9-hexahydroa...) Show SMILES Cn1cc(c2cc3CCNCCc3cc12)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C19H20N2O2S/c1-21-13-19(24(22,23)16-5-3-2-4-6-16)17-11-14-7-9-20-10-8-15(14)12-18(17)21/h2-6,11-13,20H,7-10H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human CYP3A4 by microtiter plate assays using PPR substrate				Bioorg Med Chem Lett 18: 5698-700 (2008) Article DOI: 10.1016/j.bmcl.2008.08.010 BindingDB Entry DOI: 10.7270/Q28W3D5D
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50263616 (1-(3-chlorophenylsulfonyl)-7-methyl-1,5,6,7,8,9-he...) Show SMILES CN1CCc2cc3ccn(c3cc2CC1)S(=O)(=O)c1cccc(Cl)c1 Show InChI InChI=1S/C19H19ClN2O2S/c1-21-8-5-14-11-16-7-10-22(19(16)12-15(14)6-9-21)25(23,24)18-4-2-3-17(20)13-18/h2-4,7,10-13H,5-6,8-9H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human CYP3A4 by microtiter plate assays using N-N,diethyl-formamide as substrate				Bioorg Med Chem Lett 18: 5698-700 (2008) Article DOI: 10.1016/j.bmcl.2008.08.010 BindingDB Entry DOI: 10.7270/Q28W3D5D
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50263564 (1-(3-methoxyphenylsulfonyl)-1,5,6,7,8,9-hexahydroa...) Show SMILES COc1cccc(c1)S(=O)(=O)n1ccc2cc3CCNCCc3cc12 Show InChI InChI=1S/C19H20N2O3S/c1-24-17-3-2-4-18(13-17)25(22,23)21-10-7-16-11-14-5-8-20-9-6-15(14)12-19(16)21/h2-4,7,10-13,20H,5-6,8-9H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human CYP3A4 by microtiter plate assays using N-N,diethyl-formamide as substrate				Bioorg Med Chem Lett 18: 5698-700 (2008) Article DOI: 10.1016/j.bmcl.2008.08.010 BindingDB Entry DOI: 10.7270/Q28W3D5D
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50263614 (3-chloro-1-(phenylsulfonyl)-1,5,6,7,8,9-hexahydroa...) Show SMILES Clc1cn(c2cc3CCNCCc3cc12)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C18H17ClN2O2S/c19-17-12-21(24(22,23)15-4-2-1-3-5-15)18-11-14-7-9-20-8-6-13(14)10-16(17)18/h1-5,10-12,20H,6-9H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human CYP3A4 by microtiter plate assays using PPR substrate				Bioorg Med Chem Lett 18: 5698-700 (2008) Article DOI: 10.1016/j.bmcl.2008.08.010 BindingDB Entry DOI: 10.7270/Q28W3D5D
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50263615 (3-chloro-1-(3-chlorophenylsulfonyl)-1,5,6,7,8,9-he...) Show SMILES Clc1cn(c2cc3CCNCCc3cc12)S(=O)(=O)c1cccc(Cl)c1 Show InChI InChI=1S/C18H16Cl2N2O2S/c19-14-2-1-3-15(10-14)25(23,24)22-11-17(20)16-8-12-4-6-21-7-5-13(12)9-18(16)22/h1-3,8-11,21H,4-7H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human CYP3A4 by microtiter plate assays using PPR substrate				Bioorg Med Chem Lett 18: 5698-700 (2008) Article DOI: 10.1016/j.bmcl.2008.08.010 BindingDB Entry DOI: 10.7270/Q28W3D5D
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50263518 (1-(phenylsulfonyl)-1,5,6,7,8,9-hexahydroazepino[4,...) Show SMILES O=S(=O)(c1ccccc1)n1ccc2cc3CCNCCc3cc12 Show InChI InChI=1S/C18H18N2O2S/c21-23(22,17-4-2-1-3-5-17)20-11-8-16-12-14-6-9-19-10-7-15(14)13-18(16)20/h1-5,8,11-13,19H,6-7,9-10H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human CYP3A4 by microtiter plate assays using PPR substrate				Bioorg Med Chem Lett 18: 5698-700 (2008) Article DOI: 10.1016/j.bmcl.2008.08.010 BindingDB Entry DOI: 10.7270/Q28W3D5D
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50263566 (1-(thiophen-3-ylsulfonyl)-1,5,6,7,8,9-hexahydroaze...) Show SMILES O=S(=O)(c1ccsc1)n1ccc2cc3CCNCCc3cc12 Show InChI InChI=1S/C16H16N2O2S2/c19-22(20,15-4-8-21-11-15)18-7-3-14-9-12-1-5-17-6-2-13(12)10-16(14)18/h3-4,7-11,17H,1-2,5-6H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human CYP3A4 by microtiter plate assays using PPR substrate				Bioorg Med Chem Lett 18: 5698-700 (2008) Article DOI: 10.1016/j.bmcl.2008.08.010 BindingDB Entry DOI: 10.7270/Q28W3D5D
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50263564 (1-(3-methoxyphenylsulfonyl)-1,5,6,7,8,9-hexahydroa...) Show SMILES COc1cccc(c1)S(=O)(=O)n1ccc2cc3CCNCCc3cc12 Show InChI InChI=1S/C19H20N2O3S/c1-24-17-3-2-4-18(13-17)25(22,23)21-10-7-16-11-14-5-8-20-9-6-15(14)12-19(16)21/h2-4,7,10-13,20H,5-6,8-9H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human CYP3A4 by microtiter plate assays using PPR substrate				Bioorg Med Chem Lett 18: 5698-700 (2008) Article DOI: 10.1016/j.bmcl.2008.08.010 BindingDB Entry DOI: 10.7270/Q28W3D5D
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50263565 (1-(pyridin-2-ylsulfonyl)-1,5,6,7,8,9-hexahydroazep...) Show SMILES O=S(=O)(c1ccccn1)n1ccc2cc3CCNCCc3cc12 Show InChI InChI=1S/C17H17N3O2S/c21-23(22,17-3-1-2-7-19-17)20-10-6-15-11-13-4-8-18-9-5-14(13)12-16(15)20/h1-3,6-7,10-12,18H,4-5,8-9H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human CYP3A4 by microtiter plate assays using N-N,diethyl-formamide as substrate				Bioorg Med Chem Lett 18: 5698-700 (2008) Article DOI: 10.1016/j.bmcl.2008.08.010 BindingDB Entry DOI: 10.7270/Q28W3D5D
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50270510 (CHEMBL3589199) Show SMILES COc1ccc(cc1O)-c1oc2cc(O)cc(O)c2c(=O)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C22H22O12/c1-31-12-3-2-8(4-10(12)25)20-21(17(28)15-11(26)5-9(24)6-13(15)32-20)34-22-19(30)18(29)16(27)14(7-23)33-22/h2-6,14,16,18-19,22-27,29-30H,7H2,1H3/t14-,16-,18+,19-,22+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research Curated by ChEMBL					Assay Description Inhibition of recombinant human full length MMP9 preincubated for 1 hr followed by gelatin addition measured after 18 hrs by SDS-PAGE analysis				J Nat Prod 80: 1347-1353 (2017) Article DOI: 10.1021/acs.jnatprod.6b00957 BindingDB Entry DOI: 10.7270/Q2HH6NJR
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50263616 (1-(3-chlorophenylsulfonyl)-7-methyl-1,5,6,7,8,9-he...) Show SMILES CN1CCc2cc3ccn(c3cc2CC1)S(=O)(=O)c1cccc(Cl)c1 Show InChI InChI=1S/C19H19ClN2O2S/c1-21-8-5-14-11-16-7-10-22(19(16)12-15(14)6-9-21)25(23,24)18-4-2-3-17(20)13-18/h2-4,7,10-13H,5-6,8-9H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human CYP3A4 by microtiter plate assays using PPR substrate				Bioorg Med Chem Lett 18: 5698-700 (2008) Article DOI: 10.1016/j.bmcl.2008.08.010 BindingDB Entry DOI: 10.7270/Q28W3D5D
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50263565 (1-(pyridin-2-ylsulfonyl)-1,5,6,7,8,9-hexahydroazep...) Show SMILES O=S(=O)(c1ccccn1)n1ccc2cc3CCNCCc3cc12 Show InChI InChI=1S/C17H17N3O2S/c21-23(22,17-3-1-2-7-19-17)20-10-6-15-11-13-4-8-18-9-5-14(13)12-16(15)20/h1-3,6-7,10-12,18H,4-5,8-9H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human CYP3A4 by microtiter plate assays using PPR substrate				Bioorg Med Chem Lett 18: 5698-700 (2008) Article DOI: 10.1016/j.bmcl.2008.08.010 BindingDB Entry DOI: 10.7270/Q28W3D5D
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM239990 (US9403808, 1) Show SMILES Cc1nc(no1)C(C)(C)NC(=O)c1cnc(C2CC2)c(n1)-c1cccc(Cl)c1 Show InChI InChI=1S/C20H20ClN5O2/c1-11-23-19(26-28-11)20(2,3)25-18(27)15-10-22-16(12-7-8-12)17(24-15)13-5-4-6-14(21)9-13/h4-6,9-10,12H,7-8H2,1-3H3,(H,25,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	88.1	n/a	n/a	n/a	37
Hoffmann-La Roche Inc. US Patent					Assay Description CHO cells expressing human CB1 or CB2 receptors are seeded 17-24 hours prior to the experiment 50.000 cells per well in a black 96 well plate with fl...				US Patent US9403808 (2016) BindingDB Entry DOI: 10.7270/Q2V69HHS
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM239991 (US9403808, 2) Show SMILES CC(C)(NC(=O)c1cnc(C2CC2)c(n1)-c1cccc(Cl)c1)C#N Show InChI InChI=1S/C18H17ClN4O/c1-18(2,10-20)23-17(24)14-9-21-15(11-6-7-11)16(22-14)12-4-3-5-13(19)8-12/h3-5,8-9,11H,6-7H2,1-2H3,(H,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	104	n/a	n/a	n/a	37
Hoffmann-La Roche Inc. US Patent					Assay Description CHO cells expressing human CB1 or CB2 receptors are seeded 17-24 hours prior to the experiment 50.000 cells per well in a black 96 well plate with fl...				US Patent US9403808 (2016) BindingDB Entry DOI: 10.7270/Q2V69HHS
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM239992 (US9403808, 3) Show SMILES Cc1nc(no1)C1(CCC1)NC(=O)c1cnc(C2CC2)c(n1)-c1cccc(Cl)c1 Show InChI InChI=1S/C21H20ClN5O2/c1-12-24-20(27-29-12)21(8-3-9-21)26-19(28)16-11-23-17(13-6-7-13)18(25-16)14-4-2-5-15(22)10-14/h2,4-5,10-11,13H,3,6-9H2,1H3,(H,26,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	156	n/a	n/a	n/a	37
Hoffmann-La Roche Inc. US Patent					Assay Description CHO cells expressing human CB1 or CB2 receptors are seeded 17-24 hours prior to the experiment 50.000 cells per well in a black 96 well plate with fl...				US Patent US9403808 (2016) BindingDB Entry DOI: 10.7270/Q2V69HHS
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM239993 (US9403808, 4) Show SMILES Cc1nc(no1)C(C)(C)NC(=O)c1cnc(N2CC(F)(F)C2)c(n1)-c1cccc(Cl)c1 Show InChI InChI=1S/C20H19ClF2N6O2/c1-11-25-18(28-31-11)19(2,3)27-17(30)14-8-24-16(29-9-20(22,23)10-29)15(26-14)12-5-4-6-13(21)7-12/h4-8H,9-10H2,1-3H3,(H,27,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	108	n/a	n/a	n/a	37
Hoffmann-La Roche Inc. US Patent					Assay Description CHO cells expressing human CB1 or CB2 receptors are seeded 17-24 hours prior to the experiment 50.000 cells per well in a black 96 well plate with fl...				US Patent US9403808 (2016) BindingDB Entry DOI: 10.7270/Q2V69HHS
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM239994 (US9403808, 5) Show SMILES Cc1nc(no1)C(C)(C)NC(=O)c1cnc(N2CCC2)c(n1)-c1cccc(Cl)c1 Show InChI InChI=1S/C20H21ClN6O2/c1-12-23-19(26-29-12)20(2,3)25-18(28)15-11-22-17(27-8-5-9-27)16(24-15)13-6-4-7-14(21)10-13/h4,6-7,10-11H,5,8-9H2,1-3H3,(H,25,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	140	n/a	n/a	n/a	37
Hoffmann-La Roche Inc. US Patent					Assay Description CHO cells expressing human CB1 or CB2 receptors are seeded 17-24 hours prior to the experiment 50.000 cells per well in a black 96 well plate with fl...				US Patent US9403808 (2016) BindingDB Entry DOI: 10.7270/Q2V69HHS
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM239995 (US9403808, 6) Show SMILES CC(C)(NC(=O)c1cnc(C2CC2)c(n1)-c1cccc(Cl)c1)c1nccs1 Show InChI InChI=1S/C20H19ClN4OS/c1-20(2,19-22-8-9-27-19)25-18(26)15-11-23-16(12-6-7-12)17(24-15)13-4-3-5-14(21)10-13/h3-5,8-12H,6-7H2,1-2H3,(H,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	48	n/a	n/a	n/a	37
Hoffmann-La Roche Inc. US Patent					Assay Description CHO cells expressing human CB1 or CB2 receptors are seeded 17-24 hours prior to the experiment 50.000 cells per well in a black 96 well plate with fl...				US Patent US9403808 (2016) BindingDB Entry DOI: 10.7270/Q2V69HHS
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM239996 (US9403808, 7) Show SMILES Clc1cccc(c1)-c1nc(cnc1C1CC1)C(=O)NN1CCCCC1 Show InChI InChI=1S/C19H21ClN4O/c20-15-6-4-5-14(11-15)18-17(13-7-8-13)21-12-16(22-18)19(25)23-24-9-2-1-3-10-24/h4-6,11-13H,1-3,7-10H2,(H,23,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	255	n/a	n/a	n/a	37
Hoffmann-La Roche Inc. US Patent					Assay Description CHO cells expressing human CB1 or CB2 receptors are seeded 17-24 hours prior to the experiment 50.000 cells per well in a black 96 well plate with fl...				US Patent US9403808 (2016) BindingDB Entry DOI: 10.7270/Q2V69HHS
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM239997 (US9403808, 8) Show SMILES CNC(=O)[C@@H](NC(=O)c1cnc(N2CC(F)(F)C2)c(OCC2CC2)n1)C(C)(C)C |r| Show InChI InChI=1S/C19H27F2N5O3/c1-18(2,3)13(16(28)22-4)25-15(27)12-7-23-14(26-9-19(20,21)10-26)17(24-12)29-8-11-5-6-11/h7,11,13H,5-6,8-10H2,1-4H3,(H,22,28)(H,25,27)/t13-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	18.5	n/a	n/a	n/a	37
Hoffmann-La Roche Inc. US Patent					Assay Description CHO cells expressing human CB1 or CB2 receptors are seeded 17-24 hours prior to the experiment 50.000 cells per well in a black 96 well plate with fl...				US Patent US9403808 (2016) BindingDB Entry DOI: 10.7270/Q2V69HHS
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM239998 (US9403808, 9) Show SMILES Cc1nc(no1)C1(CCC1)NC(=O)c1cnc(N2CC(F)(F)C2)c(OCC2CC2)n1 Show InChI InChI=1S/C19H22F2N6O3/c1-11-23-17(26-30-11)18(5-2-6-18)25-15(28)13-7-22-14(27-9-19(20,21)10-27)16(24-13)29-8-12-3-4-12/h7,12H,2-6,8-10H2,1H3,(H,25,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	87.9	n/a	n/a	n/a	37
Hoffmann-La Roche Inc. US Patent					Assay Description CHO cells expressing human CB1 or CB2 receptors are seeded 17-24 hours prior to the experiment 50.000 cells per well in a black 96 well plate with fl...				US Patent US9403808 (2016) BindingDB Entry DOI: 10.7270/Q2V69HHS
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM239999 (US9403808, 10) Show SMILES CC(C)(CCO)NC(=O)c1cnc(C2CC2)c(OCC2CC2)n1 Show InChI InChI=1S/C17H25N3O3/c1-17(2,7-8-21)20-15(22)13-9-18-14(12-5-6-12)16(19-13)23-10-11-3-4-11/h9,11-12,21H,3-8,10H2,1-2H3,(H,20,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	257	n/a	n/a	n/a	37
Hoffmann-La Roche Inc. US Patent					Assay Description CHO cells expressing human CB1 or CB2 receptors are seeded 17-24 hours prior to the experiment 50.000 cells per well in a black 96 well plate with fl...				US Patent US9403808 (2016) BindingDB Entry DOI: 10.7270/Q2V69HHS
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM240000 (US9403808, 11) Show SMILES OCC1(CCC1)NC(=O)c1cnc(C2CC2)c(OCC2CC2)n1 Show InChI InChI=1S/C17H23N3O3/c21-10-17(6-1-7-17)20-15(22)13-8-18-14(12-4-5-12)16(19-13)23-9-11-2-3-11/h8,11-12,21H,1-7,9-10H2,(H,20,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	124	n/a	n/a	n/a	37
Hoffmann-La Roche Inc. US Patent					Assay Description CHO cells expressing human CB1 or CB2 receptors are seeded 17-24 hours prior to the experiment 50.000 cells per well in a black 96 well plate with fl...				US Patent US9403808 (2016) BindingDB Entry DOI: 10.7270/Q2V69HHS
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM240001 (US9403808, 12) Show SMILES Cc1nc(no1)C1(CCC1)NC(=O)c1cnc(C2CC2)c(OCC2CC2)n1 Show InChI InChI=1S/C19H23N5O3/c1-11-21-18(24-27-11)19(7-2-8-19)23-16(25)14-9-20-15(13-5-6-13)17(22-14)26-10-12-3-4-12/h9,12-13H,2-8,10H2,1H3,(H,23,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	85.2	n/a	n/a	n/a	37
Hoffmann-La Roche Inc. US Patent					Assay Description CHO cells expressing human CB1 or CB2 receptors are seeded 17-24 hours prior to the experiment 50.000 cells per well in a black 96 well plate with fl...				US Patent US9403808 (2016) BindingDB Entry DOI: 10.7270/Q2V69HHS
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM240002 (US9403808, 13) Show SMILES CCC(C)(CO)NC(=O)c1cnc(C2CC2)c(OCC2CC2)n1 Show InChI InChI=1S/C17H25N3O3/c1-3-17(2,10-21)20-15(22)13-8-18-14(12-6-7-12)16(19-13)23-9-11-4-5-11/h8,11-12,21H,3-7,9-10H2,1-2H3,(H,20,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	63.4	n/a	n/a	n/a	37
Hoffmann-La Roche Inc. US Patent					Assay Description CHO cells expressing human CB1 or CB2 receptors are seeded 17-24 hours prior to the experiment 50.000 cells per well in a black 96 well plate with fl...				US Patent US9403808 (2016) BindingDB Entry DOI: 10.7270/Q2V69HHS
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM240003 (US9403808, 14) Show SMILES CNC(=O)[C@@H](NC(=O)c1cnc(C2CC2)c(OCC2CC2)n1)C(C)(C)C |r| Show InChI InChI=1S/C19H28N4O3/c1-19(2,3)15(17(25)20-4)23-16(24)13-9-21-14(12-7-8-12)18(22-13)26-10-11-5-6-11/h9,11-12,15H,5-8,10H2,1-4H3,(H,20,25)(H,23,24)/t15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	6.80	n/a	n/a	n/a	37
Hoffmann-La Roche Inc. US Patent					Assay Description CHO cells expressing human CB1 or CB2 receptors are seeded 17-24 hours prior to the experiment 50.000 cells per well in a black 96 well plate with fl...				US Patent US9403808 (2016) BindingDB Entry DOI: 10.7270/Q2V69HHS
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM240004 (US9403808, 15) Show SMILES NC(=O)[C@@H](NC(=O)c1cnc(C2CC2)c(OCC2CC2)n1)c1ccccc1 |r| Show InChI InChI=1S/C20H22N4O3/c21-18(25)16(13-4-2-1-3-5-13)24-19(26)15-10-22-17(14-8-9-14)20(23-15)27-11-12-6-7-12/h1-5,10,12,14,16H,6-9,11H2,(H2,21,25)(H,24,26)/t16-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	141	n/a	n/a	n/a	37
Hoffmann-La Roche Inc. US Patent					Assay Description CHO cells expressing human CB1 or CB2 receptors are seeded 17-24 hours prior to the experiment 50.000 cells per well in a black 96 well plate with fl...				US Patent US9403808 (2016) BindingDB Entry DOI: 10.7270/Q2V69HHS
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM240005 (US9403808, 16) Show SMILES CC(C)(O)[C@H](CC1CC1)NC(=O)c1cnc(N2CC(F)(F)C2)c(OCC2CC2)n1 |r| Show InChI InChI=1S/C20H28F2N4O3/c1-19(2,28)15(7-12-3-4-12)25-17(27)14-8-23-16(26-10-20(21,22)11-26)18(24-14)29-9-13-5-6-13/h8,12-13,15,28H,3-7,9-11H2,1-2H3,(H,25,27)/t15-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	36.9	n/a	n/a	n/a	37
Hoffmann-La Roche Inc. US Patent					Assay Description CHO cells expressing human CB1 or CB2 receptors are seeded 17-24 hours prior to the experiment 50.000 cells per well in a black 96 well plate with fl...				US Patent US9403808 (2016) BindingDB Entry DOI: 10.7270/Q2V69HHS
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM240006 (US9403808, 17) Show SMILES CC(C)(O)[C@H](CC1CC1)NC(=O)c1cnc(C2CC2)c(OCC2CC2)n1 |r| Show InChI InChI=1S/C20H29N3O3/c1-20(2,25)16(9-12-3-4-12)23-18(24)15-10-21-17(14-7-8-14)19(22-15)26-11-13-5-6-13/h10,12-14,16,25H,3-9,11H2,1-2H3,(H,23,24)/t16-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	198	n/a	n/a	n/a	37
Hoffmann-La Roche Inc. US Patent					Assay Description CHO cells expressing human CB1 or CB2 receptors are seeded 17-24 hours prior to the experiment 50.000 cells per well in a black 96 well plate with fl...				US Patent US9403808 (2016) BindingDB Entry DOI: 10.7270/Q2V69HHS
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM240007 (US9403808, 18) Show SMILES O=C(NN1CCCCC1)c1cnc(C2CC2)c(OCC2CC2)n1 Show InChI InChI=1S/C17H24N4O2/c22-16(20-21-8-2-1-3-9-21)14-10-18-15(13-6-7-13)17(19-14)23-11-12-4-5-12/h10,12-13H,1-9,11H2,(H,20,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	327	n/a	n/a	n/a	37
Hoffmann-La Roche Inc. US Patent					Assay Description CHO cells expressing human CB1 or CB2 receptors are seeded 17-24 hours prior to the experiment 50.000 cells per well in a black 96 well plate with fl...				US Patent US9403808 (2016) BindingDB Entry DOI: 10.7270/Q2V69HHS
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM240008 (US9403808, 19) Show SMILES CC(C)(C)C(CO)NC(=O)c1cnc(C2CC2)c(OCC2CC2)n1 Show InChI InChI=1S/C18H27N3O3/c1-18(2,3)14(9-22)21-16(23)13-8-19-15(12-6-7-12)17(20-13)24-10-11-4-5-11/h8,11-12,14,22H,4-7,9-10H2,1-3H3,(H,21,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	53.5	n/a	n/a	n/a	37
Hoffmann-La Roche Inc. US Patent					Assay Description CHO cells expressing human CB1 or CB2 receptors are seeded 17-24 hours prior to the experiment 50.000 cells per well in a black 96 well plate with fl...				US Patent US9403808 (2016) BindingDB Entry DOI: 10.7270/Q2V69HHS
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM240009 (US9403808, 20) Show SMILES Cc1nc(no1)[C@H](CC1CC1)NC(=O)c1cnc(N2CC(F)(F)C2)c(OCC2CC2)n1 |r| Show InChI InChI=1S/C20H24F2N6O3/c1-11-24-16(27-31-11)14(6-12-2-3-12)25-18(29)15-7-23-17(28-9-20(21,22)10-28)19(26-15)30-8-13-4-5-13/h7,12-14H,2-6,8-10H2,1H3,(H,25,29)/t14-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	28.4	n/a	n/a	n/a	37
Hoffmann-La Roche Inc. US Patent					Assay Description CHO cells expressing human CB1 or CB2 receptors are seeded 17-24 hours prior to the experiment 50.000 cells per well in a black 96 well plate with fl...				US Patent US9403808 (2016) BindingDB Entry DOI: 10.7270/Q2V69HHS
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM240010 (US9403808, 21) Show SMILES OCC(NC(=O)c1cnc(N2CC(F)(F)C2)c(OCC2CC2)n1)C1CC1 Show InChI InChI=1S/C17H22F2N4O3/c18-17(19)8-23(9-17)14-16(26-7-10-1-2-10)22-12(5-20-14)15(25)21-13(6-24)11-3-4-11/h5,10-11,13,24H,1-4,6-9H2,(H,21,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	61.3	n/a	n/a	n/a	37
Hoffmann-La Roche Inc. US Patent					Assay Description CHO cells expressing human CB1 or CB2 receptors are seeded 17-24 hours prior to the experiment 50.000 cells per well in a black 96 well plate with fl...				US Patent US9403808 (2016) BindingDB Entry DOI: 10.7270/Q2V69HHS
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM240011 (US9403808, 22) Show SMILES NC(=O)[C@@H](NC(=O)c1cnc(N2CC(F)(F)C2)c(OCC2CC2)n1)c1ccccc1 |r| Show InChI InChI=1S/C20H21F2N5O3/c21-20(22)10-27(11-20)17-19(30-9-12-6-7-12)25-14(8-24-17)18(29)26-15(16(23)28)13-4-2-1-3-5-13/h1-5,8,12,15H,6-7,9-11H2,(H2,23,28)(H,26,29)/t15-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	93	n/a	n/a	n/a	37
Hoffmann-La Roche Inc. US Patent					Assay Description CHO cells expressing human CB1 or CB2 receptors are seeded 17-24 hours prior to the experiment 50.000 cells per well in a black 96 well plate with fl...				US Patent US9403808 (2016) BindingDB Entry DOI: 10.7270/Q2V69HHS
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM240012 (US9403808, 23) Show SMILES COC(=O)[C@@H](NC(=O)c1cnc(C2CC2)c(OCC2CC2)n1)C(C)(C)C |r| Show InChI InChI=1S/C19H27N3O4/c1-19(2,3)15(18(24)25-4)22-16(23)13-9-20-14(12-7-8-12)17(21-13)26-10-11-5-6-11/h9,11-12,15H,5-8,10H2,1-4H3,(H,22,23)/t15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	1.70	n/a	n/a	n/a	37
Hoffmann-La Roche Inc. US Patent					Assay Description CHO cells expressing human CB1 or CB2 receptors are seeded 17-24 hours prior to the experiment 50.000 cells per well in a black 96 well plate with fl...				US Patent US9403808 (2016) BindingDB Entry DOI: 10.7270/Q2V69HHS
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM240013 (US9403808, 24) Show SMILES CNC(=O)[C@H](CC1CC1)NC(=O)c1cnc(C2CC2)c(OCC2CC2)n1 |r| Show InChI InChI=1S/C19H26N4O3/c1-20-17(24)14(8-11-2-3-11)22-18(25)15-9-21-16(13-6-7-13)19(23-15)26-10-12-4-5-12/h9,11-14H,2-8,10H2,1H3,(H,20,24)(H,22,25)/t14-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	199	n/a	n/a	n/a	37
Hoffmann-La Roche Inc. US Patent					Assay Description CHO cells expressing human CB1 or CB2 receptors are seeded 17-24 hours prior to the experiment 50.000 cells per well in a black 96 well plate with fl...				US Patent US9403808 (2016) BindingDB Entry DOI: 10.7270/Q2V69HHS
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM240014 (US9403808, 25) Show SMILES CN(C)C(=O)[C@H](CC1CC1)NC(=O)c1cnc(C2CC2)c(OCC2CC2)n1 |r| Show InChI InChI=1S/C20H28N4O3/c1-24(2)20(26)15(9-12-3-4-12)22-18(25)16-10-21-17(14-7-8-14)19(23-16)27-11-13-5-6-13/h10,12-15H,3-9,11H2,1-2H3,(H,22,25)/t15-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	14.6	n/a	n/a	n/a	37
Hoffmann-La Roche Inc. US Patent					Assay Description CHO cells expressing human CB1 or CB2 receptors are seeded 17-24 hours prior to the experiment 50.000 cells per well in a black 96 well plate with fl...				US Patent US9403808 (2016) BindingDB Entry DOI: 10.7270/Q2V69HHS
					More data for this Ligand-Target Pair

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