Compile Data Set for Download or QSAR

Found 3799 hits with Last Name = 'srivastava' 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
Delta-type opioid receptor (Homo sapiens (Human))	BDBM21864 ((21R)-22-(cyclopropylmethyl)-14-oxa-11,22-diazahep...) Show SMILES [H][C@@]12Cc3ccc(O)c4OC5c6[nH]c7ccccc7c6CC1(O)C5(CCN2CC1CC1)c34 |THB:27:26:21:31.2.3| Show InChI InChI=1S/C26H26N2O3/c29-19-8-7-15-11-20-26(30)12-17-16-3-1-2-4-18(16)27-22(17)24-25(26,21(15)23(19)31-24)9-10-28(20)13-14-5-6-14/h1-4,7-8,14,20,24,27,29-30H,5-6,9-13H2/t20-,24?,25?,26?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bristol Curated by ChEMBL					Assay Description Binding affinity towards recombinant human Opioid receptor delta 1 transfected in to CHO cells for the displacement of [3H]Cl-DPDPE (delta)				J Med Chem 45: 537-40 (2002) BindingDB Entry DOI: 10.7270/Q2668DXN
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM21864 ((21R)-22-(cyclopropylmethyl)-14-oxa-11,22-diazahep...) Show SMILES [H][C@@]12Cc3ccc(O)c4OC5c6[nH]c7ccccc7c6CC1(O)C5(CCN2CC1CC1)c34 |THB:27:26:21:31.2.3| Show InChI InChI=1S/C26H26N2O3/c29-19-8-7-15-11-20-26(30)12-17-16-3-1-2-4-18(16)27-22(17)24-25(26,21(15)23(19)31-24)9-10-28(20)13-14-5-6-14/h1-4,7-8,14,20,24,27,29-30H,5-6,9-13H2/t20-,24?,25?,26?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Displacement of [3H]Cl-DPDPE from human recombinant delta opioid receptor expressed in CHO cells				J Med Chem 47: 6645-8 (2004) Article DOI: 10.1021/jm040817t BindingDB Entry DOI: 10.7270/Q2C53MNV
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50547978 (CHEMBL4758147) Show SMILES Cc1nn(C)cc1-c1cc(C(=O)Nc2c(Cl)ccc(NS(=O)(=O)c3ccccc3Cl)c2F)c2ncnc(N)c2c1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of of human recombinant His6-tagged B-Raf V600E mutant expressed in baculovirus infected cells co-expresing CDC37 in presence of [gamma33P...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00344 BindingDB Entry DOI: 10.7270/Q24Q7ZMD
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM82551 (C18130 | CAS_105618-26-6 | NOR-BNI (HCI)2 | NORBNI) Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2[C@@H]4Oc6c7c(C[C@H]8N(CC9CC9)CC[C@@]47[C@@]8(O)Cc2c1C[C@@]35O)ccc6O |r| Show InChI InChI=1S/C40H43N3O6/c44-25-7-5-21-13-27-39(46)15-23-24-16-40(47)28-14-22-6-8-26(45)34-30(22)38(40,10-12-43(28)18-20-3-4-20)36(49-34)32(24)41-31(23)35-37(39,29(21)33(25)48-35)9-11-42(27)17-19-1-2-19/h5-8,19-20,27-28,35-36,41,44-47H,1-4,9-18H2/t27-,28-,35+,36+,37+,38+,39-,40-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Inhibition of [3H]diprenorphine binding to human opioid receptor kappa 1 expressed in CHO cells				J Med Chem 48: 1676-9 (2005) Article DOI: 10.1021/jm049172n BindingDB Entry DOI: 10.7270/Q2DB84N0
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50364921 (CHEMBL1950329) Show SMILES CCOc1ccc(Cc2nc3cc(ccc3n2CC2CCCCC2)N(C)S(=O)(=O)c2cccs2)nc1 Show InChI InChI=1S/C27H32N4O3S2/c1-3-34-23-13-11-21(28-18-23)16-26-29-24-17-22(30(2)36(32,33)27-10-7-15-35-27)12-14-25(24)31(26)19-20-8-5-4-6-9-20/h7,10-15,17-18,20H,3-6,8-9,16,19H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.560	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Montreal Curated by ChEMBL					Assay Description Binding affinity to human CB2 receptor				Bioorg Med Chem Lett 22: 1619-24 (2012) Article DOI: 10.1016/j.bmcl.2011.12.124 BindingDB Entry DOI: 10.7270/Q24J0FJX
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50475335 (CHEMBL2113078) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)Cc1c4C[C@@]5(O)[C@@]6([H])Cc7ccc(O)c8O[C@@]([H])(c4n(Cc4ccccc4)c21)[C@]5(CCN6CC1CC1)c78)ccc3O |TLB:51:50:23:55.28.27,THB:10:9:17:4.5.6| Show InChI InChI=1S/C47H49N3O6/c51-32-12-10-28-18-34-46(53)20-30-31-21-47(54)35-19-29-11-13-33(52)41-37(29)45(47,15-17-49(35)23-27-8-9-27)43(56-41)39(31)50(24-25-4-2-1-3-5-25)38(30)42-44(46,36(28)40(32)55-42)14-16-48(34)22-26-6-7-26/h1-5,10-13,26-27,34-35,42-43,51-54H,6-9,14-24H2/t34-,35-,42+,43+,44+,45+,46-,47-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Inhibition of [3H]diprenorphine binding to human opioid receptor kappa 1 expressed in CHO cells				J Med Chem 48: 1676-9 (2005) Article DOI: 10.1021/jm049172n BindingDB Entry DOI: 10.7270/Q2DB84N0
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50244317 (2-(4-ethoxybenzyl)-1-(cyclopentylmethyl)-N,N-dieth...) Show SMILES CCOc1ccc(Cc2nc3cc(ccc3n2CC2CCCC2)C(=O)N(CC)CC)cc1 Show InChI InChI=1S/C27H35N3O2/c1-4-29(5-2)27(31)22-13-16-25-24(18-22)28-26(30(25)19-21-9-7-8-10-21)17-20-11-14-23(15-12-20)32-6-3/h11-16,18,21H,4-10,17,19H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Montréal Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from human CB2 receptor				Bioorg Med Chem Lett 18: 3695-700 (2008) Article DOI: 10.1016/j.bmcl.2008.05.073 BindingDB Entry DOI: 10.7270/Q2J38SBN
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM82551 (C18130 | CAS_105618-26-6 | NOR-BNI (HCI)2 | NORBNI) Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2[C@@H]4Oc6c7c(C[C@H]8N(CC9CC9)CC[C@@]47[C@@]8(O)Cc2c1C[C@@]35O)ccc6O |r| Show InChI InChI=1S/C40H43N3O6/c44-25-7-5-21-13-27-39(46)15-23-24-16-40(47)28-14-22-6-8-26(45)34-30(22)38(40,10-12-43(28)18-20-3-4-20)36(49-34)32(24)41-31(23)35-37(39,29(21)33(25)48-35)9-11-42(27)17-19-1-2-19/h5-8,19-20,27-28,35-36,41,44-47H,1-4,9-18H2/t27-,28-,35+,36+,37+,38+,39-,40-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Inhibition of [3H]diprenorphine binding to rat Opioid receptor mu 1 expressed in C6 cells				J Med Chem 48: 1676-9 (2005) Article DOI: 10.1021/jm049172n BindingDB Entry DOI: 10.7270/Q2DB84N0
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50547986 (CHEMBL4786638) Show SMILES N[C@H]1CC[C@@H](CC1)Nc1ncnc2c(csc12)C(=O)Nc1c(Cl)ccc(NS(=O)(=O)c2cc(F)ccc2F)c1F |r,wU:1.0,wD:4.7,(28.77,-6.56,;30.27,-6.89,;31.31,-5.75,;32.81,-6.07,;33.28,-7.54,;32.26,-8.68,;30.75,-8.35,;34.79,-7.86,;35.82,-6.71,;35.34,-5.26,;36.37,-4.11,;37.87,-4.43,;38.34,-5.89,;39.74,-6.51,;39.58,-8.04,;38.08,-8.36,;37.31,-7.03,;41.07,-5.74,;41.07,-4.2,;42.41,-6.51,;43.74,-5.74,;43.74,-4.2,;42.41,-3.43,;45.07,-3.43,;46.4,-4.19,;46.41,-5.74,;47.74,-6.51,;49.07,-5.73,;48.29,-4.39,;49.84,-4.39,;50.41,-6.5,;50.4,-8.05,;51.74,-8.82,;51.74,-10.36,;53.08,-8.05,;53.08,-6.49,;51.74,-5.73,;51.73,-4.19,;45.07,-6.51,;45.07,-8.05,)| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of of human recombinant His6-tagged B-Raf V600E mutant expressed in baculovirus infected cells co-expresing CDC37 in presence of [gamma33P...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00344 BindingDB Entry DOI: 10.7270/Q24Q7ZMD
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50244316 (2-(4-ethoxybenzyl)-1-(cyclobutylmethyl)-N,N-diethy...) Show SMILES CCOc1ccc(Cc2nc3cc(ccc3n2CC2CCC2)C(=O)N(CC)CC)cc1 Show InChI InChI=1S/C26H33N3O2/c1-4-28(5-2)26(30)21-12-15-24-23(17-21)27-25(29(24)18-20-8-7-9-20)16-19-10-13-22(14-11-19)31-6-3/h10-15,17,20H,4-9,16,18H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Montréal Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from human CB2 receptor				Bioorg Med Chem Lett 18: 3695-700 (2008) Article DOI: 10.1016/j.bmcl.2008.05.073 BindingDB Entry DOI: 10.7270/Q2J38SBN
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50157793 (6,7-didehydro-3,14-dihydroxy-1'17-dimethyl-4,5 alp...) Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1c2CCCCc2n(C)c41)ccc5O |r,TLB:25:9:12:3.2.1,7:8:12:3.2.1| Show InChI InChI=1S/C24H28N2O3/c1-25-10-9-23-19-13-7-8-17(27)21(19)29-22(23)20-15(12-24(23,28)18(25)11-13)14-5-3-4-6-16(14)26(20)2/h7-8,18,22,27-28H,3-6,9-12H2,1-2H3/t18?,22-,23-,24+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Displacement of [3H]Cl-DPDPE from human recombinant delta opioid receptor expressed in CHO cells				J Med Chem 47: 6645-8 (2004) Article DOI: 10.1021/jm040817t BindingDB Entry DOI: 10.7270/Q2C53MNV
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50157789 (17-cyclopropylmethyl-6-7-didehydro-3,14-dihydroxy-...) Show SMILES CCn1c2CCCCc2c2C[C@@]3(O)C4Cc5ccc(O)c6O[C@@H](c12)[C@]3(CCN4CC1CC1)c56 |r,THB:16:15:11:25.26.27,20:32:11:25.26.27| Show InChI InChI=1S/C28H34N2O3/c1-2-30-20-6-4-3-5-18(20)19-14-28(32)22-13-17-9-10-21(31)25-23(17)27(28,26(33-25)24(19)30)11-12-29(22)15-16-7-8-16/h9-10,16,22,26,31-32H,2-8,11-15H2,1H3/t22?,26-,27-,28+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Displacement of [3H]Cl-DPDPE from human recombinant delta opioid receptor expressed in CHO cells				J Med Chem 47: 6645-8 (2004) Article DOI: 10.1021/jm040817t BindingDB Entry DOI: 10.7270/Q2C53MNV
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50157798 (CHEMBL222597 | l',17-dicyclopropylmethyl-6-7-dideh...) Show SMILES Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1c(C[C@@]35O)c2CCCCc2n1CC1CC1 |r,TLB:3:4:22:13.12.7,17:18:22:13.12.7| Show InChI InChI=1S/C30H36N2O3/c33-23-10-9-19-13-24-30(34)14-21-20-3-1-2-4-22(20)32(16-18-7-8-18)26(21)28-29(30,25(19)27(23)35-28)11-12-31(24)15-17-5-6-17/h9-10,17-18,24,28,33-34H,1-8,11-16H2/t24?,28-,29-,30+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Displacement of [3H]Cl-DPDPE from human recombinant delta opioid receptor expressed in CHO cells				J Med Chem 47: 6645-8 (2004) Article DOI: 10.1021/jm040817t BindingDB Entry DOI: 10.7270/Q2C53MNV
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50157797 (17-cyclopropylmethyl-6-7-didehydro-3,14-dihydroxy-...) Show SMILES Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1c(C[C@@]35O)c2CCCCc2n1CCc1ccccc1 |r,TLB:3:4:22:13.12.7,17:18:22:13.12.7| Show InChI InChI=1S/C34H38N2O3/c37-27-13-12-23-18-28-34(38)19-25-24-8-4-5-9-26(24)36(16-14-21-6-2-1-3-7-21)30(25)32-33(34,29(23)31(27)39-32)15-17-35(28)20-22-10-11-22/h1-3,6-7,12-13,22,28,32,37-38H,4-5,8-11,14-20H2/t28?,32-,33-,34+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Displacement of [3H]Cl-DPDPE from human recombinant delta opioid receptor expressed in CHO cells				J Med Chem 47: 6645-8 (2004) Article DOI: 10.1021/jm040817t BindingDB Entry DOI: 10.7270/Q2C53MNV
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	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 Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Binding affinity to human CB2 receptor				Bioorg Med Chem Lett 22: 3884-9 (2012) Article DOI: 10.1016/j.bmcl.2012.04.128 BindingDB Entry DOI: 10.7270/Q28P61JV
					More data for this Ligand-Target Pair				3D Structure (crystal)
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50157792 (17-cyclopropylmethyl-6-7-didehydro-3,14-dihydroxy-...) Show SMILES Cn1c2CCCCc2c2C[C@@]3(O)C4Cc5ccc(O)c6O[C@@H](c12)[C@]3(CCN4CC1CC1)c56 |THB:15:14:10:26.24.25,19:31:10:26.24.25| Show InChI InChI=1S/C27H32N2O3/c1-28-19-5-3-2-4-17(19)18-13-27(31)21-12-16-8-9-20(30)24-22(16)26(27,25(32-24)23(18)28)10-11-29(21)14-15-6-7-15/h8-9,15,21,25,30-31H,2-7,10-14H2,1H3/t21?,25-,26-,27+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Displacement of [3H]Cl-DPDPE from human recombinant delta opioid receptor expressed in CHO cells				J Med Chem 47: 6645-8 (2004) Article DOI: 10.1021/jm040817t BindingDB Entry DOI: 10.7270/Q2C53MNV
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50547968 (CHEMBL4780489) Show SMILES Nc1ncnc2c(cccc12)C(=O)Nc1c(Cl)ccc(NS(=O)(=O)N2CCCC2)c1F Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of of human recombinant His6-tagged B-Raf V600E mutant expressed in baculovirus infected cells co-expresing CDC37 in presence of [gamma33P...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00344 BindingDB Entry DOI: 10.7270/Q24Q7ZMD
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50157798 (CHEMBL222597 | l',17-dicyclopropylmethyl-6-7-dideh...) Show SMILES Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1c(C[C@@]35O)c2CCCCc2n1CC1CC1 |r,TLB:3:4:22:13.12.7,17:18:22:13.12.7| Show InChI InChI=1S/C30H36N2O3/c33-23-10-9-19-13-24-30(34)14-21-20-3-1-2-4-22(20)32(16-18-7-8-18)26(21)28-29(30,25(19)27(23)35-28)11-12-31(24)15-17-5-6-17/h9-10,17-18,24,28,33-34H,1-8,11-16H2/t24?,28-,29-,30+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Displacement of [3H]U-69593 from human recombinant kappa opioid receptor expressed in CHO cells				J Med Chem 47: 6645-8 (2004) Article DOI: 10.1021/jm040817t BindingDB Entry DOI: 10.7270/Q2C53MNV
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50157798 (CHEMBL222597 | l',17-dicyclopropylmethyl-6-7-dideh...) Show SMILES Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1c(C[C@@]35O)c2CCCCc2n1CC1CC1 |r,TLB:3:4:22:13.12.7,17:18:22:13.12.7| Show InChI InChI=1S/C30H36N2O3/c33-23-10-9-19-13-24-30(34)14-21-20-3-1-2-4-22(20)32(16-18-7-8-18)26(21)28-29(30,25(19)27(23)35-28)11-12-31(24)15-17-5-6-17/h9-10,17-18,24,28,33-34H,1-8,11-16H2/t24?,28-,29-,30+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from human recombinant mu opioid receptor expressed in CHO cells				J Med Chem 47: 6645-8 (2004) Article DOI: 10.1021/jm040817t BindingDB Entry DOI: 10.7270/Q2C53MNV
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50108791 (18-cyclopropylmethyl-5-phenyl-10-oxa-7,18-diazahex...) Show SMILES Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]cc(c1C[C@@]35O)-c1ccccc1 |TLB:17:18:25:7.13.12,3:4:25:7.13.12| Show InChI InChI=1S/C28H28N2O3/c31-21-9-8-18-12-22-28(32)13-19-20(17-4-2-1-3-5-17)14-29-24(19)26-27(28,23(18)25(21)33-26)10-11-30(22)15-16-6-7-16/h1-5,8-9,14,16,22,26,29,31-32H,6-7,10-13,15H2/t22?,26-,27-,28+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bristol Curated by ChEMBL					Assay Description Binding affinity towards recombinant human Opioid receptor delta 1 transfected in to CHO cells for the displacement of [3H]Cl-DPDPE (delta)				J Med Chem 45: 537-40 (2002) BindingDB Entry DOI: 10.7270/Q2668DXN
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50157796 (6,7-didehydro-3,14-dihydroxy-4,5alpha-epoxy-1'-eth...) Show SMILES CCn1c2CCCCc2c2C[C@@]3(O)C4Cc5ccc(O)c6O[C@@H](c12)[C@]3(CCN4C)c56 |r,THB:16:15:11:25.26.27,20:29:11:25.26.27| Show InChI InChI=1S/C25H30N2O3/c1-3-27-17-7-5-4-6-15(17)16-13-25(29)19-12-14-8-9-18(28)22-20(14)24(25,10-11-26(19)2)23(30-22)21(16)27/h8-9,19,23,28-29H,3-7,10-13H2,1-2H3/t19?,23-,24-,25+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Displacement of [3H]Cl-DPDPE from human recombinant delta opioid receptor expressed in CHO cells				J Med Chem 47: 6645-8 (2004) Article DOI: 10.1021/jm040817t BindingDB Entry DOI: 10.7270/Q2C53MNV
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50244319 (1-adamantan-1-ylmethyl-2-(4-ethoxy-benzyl)-1H-benz...) Show SMILES CCOc1ccc(Cc2nc3cc(ccc3n2CC23CC4CC(CC(C4)C2)C3)C(=O)N(CC)CC)cc1 |THB:19:20:23:27.18.26,19:18:21.20.25:23,26:18:21:25.24.23,26:24:21:27.19.18| Show InChI InChI=1S/C32H41N3O2/c1-4-34(5-2)31(36)26-9-12-29-28(17-26)33-30(16-22-7-10-27(11-8-22)37-6-3)35(29)21-32-18-23-13-24(19-32)15-25(14-23)20-32/h7-12,17,23-25H,4-6,13-16,18-21H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Montréal Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from human CB2 receptor				Bioorg Med Chem Lett 18: 3695-700 (2008) Article DOI: 10.1016/j.bmcl.2008.05.073 BindingDB Entry DOI: 10.7270/Q2J38SBN
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50244060 (2-(4-ethoxybenzyl)-1-(cyclopropylmethyl)-N,N-dipro...) Show SMILES CCCN(CCC)C(=O)c1ccc2n(CC3CC3)c(Cc3ccc(OCC)cc3)nc2c1 Show InChI InChI=1S/C27H35N3O2/c1-4-15-29(16-5-2)27(31)22-11-14-25-24(18-22)28-26(30(25)19-21-7-8-21)17-20-9-12-23(13-10-20)32-6-3/h9-14,18,21H,4-8,15-17,19H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Montréal Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from human CB2 receptor				Bioorg Med Chem Lett 18: 3695-700 (2008) Article DOI: 10.1016/j.bmcl.2008.05.073 BindingDB Entry DOI: 10.7270/Q2J38SBN
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50384144 (CHEMBL2029719) Show SMILES CCN(CCCC(=O)NC1CC1)C(=O)c1ccc2n(C)c3CCC(Cc3c2c1)C1CCOCC1 Show InChI InChI=1S/C28H39N3O3/c1-3-31(14-4-5-27(32)29-22-8-9-22)28(33)21-7-11-26-24(18-21)23-17-20(6-10-25(23)30(26)2)19-12-15-34-16-13-19/h7,11,18-20,22H,3-6,8-10,12-17H2,1-2H3,(H,29,32)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 cells				Bioorg Med Chem Lett 22: 3884-9 (2012) Article DOI: 10.1016/j.bmcl.2012.04.128 BindingDB Entry DOI: 10.7270/Q28P61JV
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50157795 ((1S,2S,13R)-11-benzyl-22-(cyclopropylmethyl)-14-ox...) Show SMILES Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1c(C[C@@]35O)c2CCCCc2n1Cc1ccccc1 |r,TLB:3:4:22:13.12.7,17:18:22:13.12.7| Show InChI InChI=1S/C33H36N2O3/c36-26-13-12-22-16-27-33(37)17-24-23-8-4-5-9-25(23)35(19-20-6-2-1-3-7-20)29(24)31-32(33,28(22)30(26)38-31)14-15-34(27)18-21-10-11-21/h1-3,6-7,12-13,21,27,31,36-37H,4-5,8-11,14-19H2/t27?,31-,32-,33+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Displacement of [3H]Cl-DPDPE from human recombinant delta opioid receptor expressed in CHO cells				J Med Chem 47: 6645-8 (2004) Article DOI: 10.1021/jm040817t BindingDB Entry DOI: 10.7270/Q2C53MNV
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM60994 ((10R,10aR)-6,6,9-Trimethyl-3-pentyl-6a,7,8,10a-tet...) Show SMILES CCCCCc1cc(O)c2[C@@H]3C=C(C)CC[C@H]3C(C)(C)Oc2c1 |r,t:11| Show InChI InChI=1S/C21H30O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h11-13,16-17,22H,5-10H2,1-4H3/t16-,17-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Similars	DrugBank Article PubMed	2.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Montréal Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from human CB1 receptor				Bioorg Med Chem Lett 18: 3695-700 (2008) Article DOI: 10.1016/j.bmcl.2008.05.073 BindingDB Entry DOI: 10.7270/Q2J38SBN
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50364921 (CHEMBL1950329) Show SMILES CCOc1ccc(Cc2nc3cc(ccc3n2CC2CCCCC2)N(C)S(=O)(=O)c2cccs2)nc1 Show InChI InChI=1S/C27H32N4O3S2/c1-3-34-23-13-11-21(28-18-23)16-26-29-24-17-22(30(2)36(32,33)27-10-7-15-35-27)12-14-25(24)31(26)19-20-8-5-4-6-9-20/h7,10-15,17-18,20H,3-6,8-9,16,19H2,1-2H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Montreal Curated by ChEMBL					Assay Description Displacement of [3H]-CP55,940 from human CB1 receptor expressed in HEK293 cells				Bioorg Med Chem Lett 22: 1619-24 (2012) Article DOI: 10.1016/j.bmcl.2011.12.124 BindingDB Entry DOI: 10.7270/Q24J0FJX
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50157800 ((1S,2S,9R)-18-(cyclopropylmethyl)-7-ethyl-5-phenyl...) Show SMILES CCn1cc(c2C[C@@]3(O)C4Cc5ccc(O)c6O[C@@H](c12)[C@]3(CCN4CC1CC1)c56)-c1ccccc1 |r,THB:12:11:7:21.22.23,16:28:7:21.22.23| Show InChI InChI=1S/C30H32N2O3/c1-2-31-17-22(19-6-4-3-5-7-19)21-15-30(34)24-14-20-10-11-23(33)27-25(20)29(30,28(35-27)26(21)31)12-13-32(24)16-18-8-9-18/h3-7,10-11,17-18,24,28,33-34H,2,8-9,12-16H2,1H3/t24?,28-,29-,30+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Displacement of [3H]Cl-DPDPE from human recombinant delta opioid receptor expressed in CHO cells				J Med Chem 47: 6645-8 (2004) Article DOI: 10.1021/jm040817t BindingDB Entry DOI: 10.7270/Q2C53MNV
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50157791 (1'-cyclohexylmethyl-17-cyclopropylmethyl-6-7-dideh...) Show SMILES Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1c(C[C@@]35O)c2CCCCc2n1CC1CCCCC1 |r,TLB:3:4:22:13.12.7,17:18:22:13.12.7| Show InChI InChI=1S/C33H42N2O3/c36-26-13-12-22-16-27-33(37)17-24-23-8-4-5-9-25(23)35(19-20-6-2-1-3-7-20)29(24)31-32(33,28(22)30(26)38-31)14-15-34(27)18-21-10-11-21/h12-13,20-21,27,31,36-37H,1-11,14-19H2/t27?,31-,32-,33+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Displacement of [3H]Cl-DPDPE from human recombinant delta opioid receptor expressed in CHO cells				J Med Chem 47: 6645-8 (2004) Article DOI: 10.1021/jm040817t BindingDB Entry DOI: 10.7270/Q2C53MNV
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50157801 ((1S,2S,9R)-18-(cyclopropylmethyl)-7-methyl-5-pheny...) Show SMILES Cn1cc(c2C[C@@]3(O)C4Cc5ccc(O)c6O[C@@H](c12)[C@]3(CCN4CC1CC1)c56)-c1ccccc1 |r,THB:11:10:6:20.21.22,15:27:6:20.21.22| Show InChI InChI=1S/C29H30N2O3/c1-30-16-21(18-5-3-2-4-6-18)20-14-29(33)23-13-19-9-10-22(32)26-24(19)28(29,27(34-26)25(20)30)11-12-31(23)15-17-7-8-17/h2-6,9-10,16-17,23,27,32-33H,7-8,11-15H2,1H3/t23?,27-,28-,29+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Displacement of [3H]Cl-DPDPE from human recombinant delta opioid receptor expressed in CHO cells				J Med Chem 47: 6645-8 (2004) Article DOI: 10.1021/jm040817t BindingDB Entry DOI: 10.7270/Q2C53MNV
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50244318 (2-(4-ethoxybenzyl)-1-(cyclohexylmethyl)-N,N-diethy...) Show SMILES CCOc1ccc(Cc2nc3cc(ccc3n2CC2CCCCC2)C(=O)N(CC)CC)cc1 Show InChI InChI=1S/C28H37N3O2/c1-4-30(5-2)28(32)23-14-17-26-25(19-23)29-27(31(26)20-22-10-8-7-9-11-22)18-21-12-15-24(16-13-21)33-6-3/h12-17,19,22H,4-11,18,20H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Montréal Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from human CB2 receptor				Bioorg Med Chem Lett 18: 3695-700 (2008) Article DOI: 10.1016/j.bmcl.2008.05.073 BindingDB Entry DOI: 10.7270/Q2J38SBN
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50243706 (2-(4-ethoxybenzyl)-N,N-diethyl-1-((tetrahydro-2H-p...) Show SMILES CCOc1ccc(Cc2nc3cc(ccc3n2CC2CCOCC2)C(=O)N(CC)CC)cc1 Show InChI InChI=1S/C27H35N3O3/c1-4-29(5-2)27(31)22-9-12-25-24(18-22)28-26(30(25)19-21-13-15-32-16-14-21)17-20-7-10-23(11-8-20)33-6-3/h7-12,18,21H,4-6,13-17,19H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Montréal Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from human CB2 receptor				Bioorg Med Chem Lett 18: 3695-700 (2008) Article DOI: 10.1016/j.bmcl.2008.05.073 BindingDB Entry DOI: 10.7270/Q2J38SBN
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50244140 (CHEMBL517283 | N-(2-(4-ethoxybenzyl)-1-(cyclopropy...) Show SMILES CCOc1ccc(Cc2nc3cc(ccc3n2CC2CC2)N(C)C(=O)CC(C)C)cc1 Show InChI InChI=1S/C26H33N3O2/c1-5-31-22-11-8-19(9-12-22)15-25-27-23-16-21(28(4)26(30)14-18(2)3)10-13-24(23)29(25)17-20-6-7-20/h8-13,16,18,20H,5-7,14-15,17H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Montréal Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from human CB2 receptor				Bioorg Med Chem Lett 18: 3695-700 (2008) Article DOI: 10.1016/j.bmcl.2008.05.073 BindingDB Entry DOI: 10.7270/Q2J38SBN
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50244214 (CHEMBL458142 | N-(2-(4-ethoxybenzyl)-1-(cyclopropy...) Show SMILES CCOc1ccc(Cc2nc3cc(ccc3n2CC2CC2)N(C)C(=O)N2CCCCC2)cc1 Show InChI InChI=1S/C27H34N4O2/c1-3-33-23-12-9-20(10-13-23)17-26-28-24-18-22(11-14-25(24)31(26)19-21-7-8-21)29(2)27(32)30-15-5-4-6-16-30/h9-14,18,21H,3-8,15-17,19H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Montréal Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from human CB2 receptor				Bioorg Med Chem Lett 18: 3695-700 (2008) Article DOI: 10.1016/j.bmcl.2008.05.073 BindingDB Entry DOI: 10.7270/Q2J38SBN
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50244277 (2-(4-ethoxybenzyl)-1-(cyclopropylmethyl)-N,N-dieth...) Show SMILES CCOc1ccc(Cc2nc3cc(ccc3n2CC2CC2)C(=O)N(CC)CC)cc1 Show InChI InChI=1S/C25H31N3O2/c1-4-27(5-2)25(29)20-11-14-23-22(16-20)26-24(28(23)17-19-7-8-19)15-18-9-12-21(13-10-18)30-6-3/h9-14,16,19H,4-8,15,17H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Montréal Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from human CB2 receptor				Bioorg Med Chem Lett 18: 3695-700 (2008) Article DOI: 10.1016/j.bmcl.2008.05.073 BindingDB Entry DOI: 10.7270/Q2J38SBN
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50157792 (17-cyclopropylmethyl-6-7-didehydro-3,14-dihydroxy-...) Show SMILES Cn1c2CCCCc2c2C[C@@]3(O)C4Cc5ccc(O)c6O[C@@H](c12)[C@]3(CCN4CC1CC1)c56 |THB:15:14:10:26.24.25,19:31:10:26.24.25| Show InChI InChI=1S/C27H32N2O3/c1-28-19-5-3-2-4-17(19)18-13-27(31)21-12-16-8-9-20(30)24-22(16)26(27,25(32-24)23(18)28)10-11-29(21)14-15-6-7-15/h8-9,15,21,25,30-31H,2-7,10-14H2,1H3/t21?,25-,26-,27+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	4.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Displacement of [3H]U-69593 from human recombinant kappa opioid receptor expressed in CHO cells				J Med Chem 47: 6645-8 (2004) Article DOI: 10.1021/jm040817t BindingDB Entry DOI: 10.7270/Q2C53MNV
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50157790 (1'-cyclohexylmethyl-6,7-didehydro-3,14-dihydroxy-4...) Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1c2CCCCc2n(CC2CCCCC2)c41)ccc5O |r,TLB:31:9:12:3.2.1,7:8:12:3.2.1| Show InChI InChI=1S/C30H38N2O3/c1-31-14-13-29-25-19-11-12-23(33)27(25)35-28(29)26-21(16-30(29,34)24(31)15-19)20-9-5-6-10-22(20)32(26)17-18-7-3-2-4-8-18/h11-12,18,24,28,33-34H,2-10,13-17H2,1H3/t24?,28-,29-,30+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Displacement of [3H]Cl-DPDPE from human recombinant delta opioid receptor expressed in CHO cells				J Med Chem 47: 6645-8 (2004) Article DOI: 10.1021/jm040817t BindingDB Entry DOI: 10.7270/Q2C53MNV
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50384161 (CHEMBL2029727) Show SMILES CCN(CC(=O)NC1CC1)C(=O)c1ccc2n(C)c3CC[C@H](Cc3c2c1)C1CCOCC1 |r| Show InChI InChI=1S/C26H35N3O3/c1-3-29(16-25(30)27-20-6-7-20)26(31)19-5-9-24-22(15-19)21-14-18(4-8-23(21)28(24)2)17-10-12-32-13-11-17/h5,9,15,17-18,20H,3-4,6-8,10-14,16H2,1-2H3,(H,27,30)/t18-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 cells				Bioorg Med Chem Lett 22: 3884-9 (2012) Article DOI: 10.1016/j.bmcl.2012.04.128 BindingDB Entry DOI: 10.7270/Q28P61JV
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50243961 (2-(4-isopropoxybenzyl)-N,N-diethyl-1-isopentyl-1H-...) Show SMILES CCN(CC)C(=O)c1ccc2n(CCC(C)C)c(Cc3ccc(OC(C)C)cc3)nc2c1 Show InChI InChI=1S/C27H37N3O2/c1-7-29(8-2)27(31)22-11-14-25-24(18-22)28-26(30(25)16-15-19(3)4)17-21-9-12-23(13-10-21)32-20(5)6/h9-14,18-20H,7-8,15-17H2,1-6H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Montréal Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from human CB2 receptor				Bioorg Med Chem Lett 18: 3695-700 (2008) Article DOI: 10.1016/j.bmcl.2008.05.073 BindingDB Entry DOI: 10.7270/Q2J38SBN
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50244276 (2-(4-ethoxybenzyl)-N,N-diethyl-1-isopentyl-1H-benz...) Show SMILES CCOc1ccc(Cc2nc3cc(ccc3n2CCC(C)C)C(=O)N(CC)CC)cc1 Show InChI InChI=1S/C26H35N3O2/c1-6-28(7-2)26(30)21-11-14-24-23(18-21)27-25(29(24)16-15-19(4)5)17-20-9-12-22(13-10-20)31-8-3/h9-14,18-19H,6-8,15-17H2,1-5H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Montréal Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from human CB2 receptor				Bioorg Med Chem Lett 18: 3695-700 (2008) Article DOI: 10.1016/j.bmcl.2008.05.073 BindingDB Entry DOI: 10.7270/Q2J38SBN
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50244010 (2-(4-phenoxybenzyl)-N,N-diethyl-1-isopentyl-1H-ben...) Show SMILES CCN(CC)C(=O)c1ccc2n(CCC(C)C)c(Cc3ccc(Oc4ccccc4)cc3)nc2c1 Show InChI InChI=1S/C30H35N3O2/c1-5-32(6-2)30(34)24-14-17-28-27(21-24)31-29(33(28)19-18-22(3)4)20-23-12-15-26(16-13-23)35-25-10-8-7-9-11-25/h7-17,21-22H,5-6,18-20H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Montréal Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from human CB2 receptor				Bioorg Med Chem Lett 18: 3695-700 (2008) Article DOI: 10.1016/j.bmcl.2008.05.073 BindingDB Entry DOI: 10.7270/Q2J38SBN
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM170407 (US9079929, 9) Show SMILES CS(=O)(=O)Nc1cccc2C(N(CCc12)C(=O)\C=C\c1c(F)c(Cl)ccc1-n1cnnn1)C(=O)Nc1ccc(cc1)C(O)=O Show InChI InChI=1S/C28H23ClFN7O6S/c1-44(42,43)33-22-4-2-3-19-18(22)13-14-36(26(19)27(39)32-17-7-5-16(6-8-17)28(40)41)24(38)12-9-20-23(37-15-31-34-35-37)11-10-21(29)25(20)30/h2-12,15,26,33H,13-14H2,1H3,(H,32,39)(H,40,41)/b12-9+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	<5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The effectiveness of compounds of the present invention as inhibitors of the coagulation factors XIa, VIIa, IXa, Xa, XIIa, plasma kallikrein or throm...				US Patent US9079929 (2015) BindingDB Entry DOI: 10.7270/Q28P5Z82
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM161058 (US9108951, 28 | US9394276, 28 | US9725435, 28) Show SMILES OC(=O)c1ccc(NC(=O)C2N(CCc3c2ccnc3N2CCOCC2)C(=O)\C=C\c2c(F)c(Cl)ccc2-n2cnnn2)cc1 Show InChI InChI=1S/C30H26ClFN8O5/c31-23-6-7-24(40-17-34-36-37-40)22(26(23)32)5-8-25(41)39-12-10-21-20(9-11-33-28(21)38-13-15-45-16-14-38)27(39)29(42)35-19-3-1-18(2-4-19)30(43)44/h1-9,11,17,27H,10,12-16H2,(H,35,42)(H,43,44)/b8-5+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	<5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...				US Patent US9725435 (2017) BindingDB Entry DOI: 10.7270/Q2Q52RQ4
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM161057 (US9108951, 23 | US9394276, 23 | US9725435, 23) Show SMILES NC(=O)c1ccc(cc1)-c1nccc2C(N(CCc12)C(=O)\C=C\c1c(F)c(Cl)ccc1-n1cnnn1)C(=O)Nc1ccc2cn[nH]c2c1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	<5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...				US Patent US9725435 (2017) BindingDB Entry DOI: 10.7270/Q2Q52RQ4
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM161055 (US9108951, 10 | US9394276, 10 | US9725435, 10) Show SMILES OC(=O)c1ccc(NC(=O)[C@H]2N(CCc3ccccc23)C(=O)\C=C\c2c(F)c(Cl)ccc2-n2cnnn2)cc1 |r| Show InChI InChI=1S/C27H20ClFN6O4/c28-21-10-11-22(35-15-30-32-33-35)20(24(21)29)9-12-23(36)34-14-13-16-3-1-2-4-19(16)25(34)26(37)31-18-7-5-17(6-8-18)27(38)39/h1-12,15,25H,13-14H2,(H,31,37)(H,38,39)/b12-9+/t25-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	<5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...				US Patent US9725435 (2017) BindingDB Entry DOI: 10.7270/Q2Q52RQ4
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM349993 ((E)-4-(2-(3-(3-Chloro-2-fluoro-6-(1H-tetrazol-1-yl...) Show SMILES CCOC(=O)c1cc(C)n(n1)-c1cccc2C(N(CCc12)C(=O)\C=C\c1c(F)c(Cl)ccc1-n1cnnn1)C(=O)Nc1ccc(cc1)C(O)=O Show InChI InChI=1S/C34H28ClFN8O6/c1-3-50-34(49)26-17-19(2)44(39-26)28-6-4-5-23-22(28)15-16-42(31(23)32(46)38-21-9-7-20(8-10-21)33(47)48)29(45)14-11-24-27(43-18-37-40-41-43)13-12-25(35)30(24)36/h4-14,17-18,31H,3,15-16H2,1-2H3,(H,38,46)(H,47,48)/b14-11+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...				US Patent US10208021 (2019) BindingDB Entry DOI: 10.7270/Q2N018P5
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM349992 (4-((S)-2-((E)-3-(3-Chloro-2-fluoro-6-(1H-tetrazol-...) Show SMILES CN(C)[C@@H]1CCN(C1)c1cccc2[C@H](N(CCc12)C(=O)\C=C\c1c(F)c(Cl)ccc1-n1cnnn1)C(=O)Nc1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C33H32ClFN8O4/c1-40(2)22-14-16-41(18-22)27-5-3-4-24-23(27)15-17-42(31(24)32(45)37-21-8-6-20(7-9-21)33(46)47)29(44)13-10-25-28(43-19-36-38-39-43)12-11-26(34)30(25)35/h3-13,19,22,31H,14-18H2,1-2H3,(H,37,45)(H,46,47)/b13-10+/t22-,31+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...				US Patent US10208021 (2019) BindingDB Entry DOI: 10.7270/Q2N018P5
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM349991 (4-((R)-2-((E)-3-(3-Chloro-2-fluoro-6-(1H-tetrazol-...) Show SMILES CN(C)[C@@H]1CCN(C1)c1cccc2[C@@H](N(CCc12)C(=O)\C=C\c1c(F)c(Cl)ccc1-n1cnnn1)C(=O)Nc1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C33H32ClFN8O4/c1-40(2)22-14-16-41(18-22)27-5-3-4-24-23(27)15-17-42(31(24)32(45)37-21-8-6-20(7-9-21)33(46)47)29(44)13-10-25-28(43-19-36-38-39-43)12-11-26(34)30(25)35/h3-13,19,22,31H,14-18H2,1-2H3,(H,37,45)(H,46,47)/b13-10+/t22-,31-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...				US Patent US10208021 (2019) BindingDB Entry DOI: 10.7270/Q2N018P5
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM349990 (4-((R)-2-((E)-3-(3-Chloro-2-fluoro-6-(1H-tetrazol-...) Show SMILES CN(C)[C@H]1CCN(C1)c1cccc2[C@@H](N(CCc12)C(=O)\C=C\c1c(F)c(Cl)ccc1-n1cnnn1)C(=O)Nc1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C33H32ClFN8O4/c1-40(2)22-14-16-41(18-22)27-5-3-4-24-23(27)15-17-42(31(24)32(45)37-21-8-6-20(7-9-21)33(46)47)29(44)13-10-25-28(43-19-36-38-39-43)12-11-26(34)30(25)35/h3-13,19,22,31H,14-18H2,1-2H3,(H,37,45)(H,46,47)/b13-10+/t22-,31+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...				US Patent US10208021 (2019) BindingDB Entry DOI: 10.7270/Q2N018P5
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM349988 (4-((S)-2-((E)-3-(3-Chloro-2-fluoro-6-(1H-tetrazol-...) Show SMILES CN(C)[C@H]1CCN(C1)c1cccc2[C@H](N(CCc12)C(=O)\C=C\c1c(F)c(Cl)ccc1-n1cnnn1)C(=O)Nc1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C33H32ClFN8O4/c1-40(2)22-14-16-41(18-22)27-5-3-4-24-23(27)15-17-42(31(24)32(45)37-21-8-6-20(7-9-21)33(46)47)29(44)13-10-25-28(43-19-36-38-39-43)12-11-26(34)30(25)35/h3-13,19,22,31H,14-18H2,1-2H3,(H,37,45)(H,46,47)/b13-10+/t22-,31-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...				US Patent US10208021 (2019) BindingDB Entry DOI: 10.7270/Q2N018P5
					More data for this Ligand-Target Pair

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