Compile Data Set for Download or QSAR

Found 295 hits Enz. Inhib. hit(s) with all data for entry = 50036972   

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 (Homo sapiens (Human))	BDBM50105091 (2-[8-(6-Chloro-benzo[1,3]dioxol-5-ylmethyl)-4-oxo-...) Show SMILES CNC(=O)CN1CN(c2ccccc2)C2(CCN(Cc3cc4OCOc4cc3Cl)CC2)C1=O Show InChI InChI=1S/C24H27ClN4O4/c1-26-22(30)14-28-15-29(18-5-3-2-4-6-18)24(23(28)31)7-9-27(10-8-24)13-17-11-20-21(12-19(17)25)33-16-32-20/h2-6,11-12H,7-10,13-16H2,1H3,(H,26,30)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
F-59000 Lille Curated by ChEMBL					Assay Description Binding affinity against mu opiate receptor				J Med Chem 44: 3391-401 (2001) BindingDB Entry DOI: 10.7270/Q2057GN9
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50105094 (1-[1-(6-Chloro-benzo[1,3]dioxol-5-ylmethyl)-piperi...) Show SMILES Clc1cc2OCOc2cc1CN1CCC(CC1)n1c2ccccc2[nH]c1=O Show InChI InChI=1S/C20H20ClN3O3/c21-15-10-19-18(26-12-27-19)9-13(15)11-23-7-5-14(6-8-23)24-17-4-2-1-3-16(17)22-20(24)25/h1-4,9-10,14H,5-8,11-12H2,(H,22,25)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
F-59000 Lille Curated by ChEMBL					Assay Description Binding affinity against mu opiate receptor				J Med Chem 44: 3391-401 (2001) BindingDB Entry DOI: 10.7270/Q2057GN9
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50105080 (1-[1-(6-Nitro-benzo[1,3]dioxol-5-ylmethyl)-piperid...) Show SMILES [O-][N+](=O)c1cc2OCOc2cc1CN1CCC(CC1)n1[c-]2ccccc2nc1=[OH+] Show InChI InChI=1S/C20H19N4O5/c25-20-21-15-3-1-2-4-16(15)23(20)14-5-7-22(8-6-14)11-13-9-18-19(29-12-28-18)10-17(13)24(26)27/h1-4,9-10,14H,5-8,11-12H2/q-1/p+1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
F-59000 Lille Curated by ChEMBL					Assay Description Binding affinity against mu opiate receptor				J Med Chem 44: 3391-401 (2001) BindingDB Entry DOI: 10.7270/Q2057GN9
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50105094 (1-[1-(6-Chloro-benzo[1,3]dioxol-5-ylmethyl)-piperi...) Show SMILES Clc1cc2OCOc2cc1CN1CCC(CC1)n1c2ccccc2[nH]c1=O Show InChI InChI=1S/C20H20ClN3O3/c21-15-10-19-18(26-12-27-19)9-13(15)11-23-7-5-14(6-8-23)24-17-4-2-1-3-16(17)22-20(24)25/h1-4,9-10,14H,5-8,11-12H2,(H,22,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
F-59000 Lille Curated by ChEMBL					Assay Description Binding affinity against opioid receptor kappa 1 by using [3H]U-69593 as radioligand				J Med Chem 44: 3391-401 (2001) BindingDB Entry DOI: 10.7270/Q2057GN9
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50105072 (8-(6-Chloro-benzo[1,3]dioxol-5-ylmethyl)-1-phenyl-...) Show SMILES Clc1cc2OCOc2cc1CN1CCC2(CC1)N(CNC2=O)c1ccccc1 Show InChI InChI=1S/C21H22ClN3O3/c22-17-11-19-18(27-14-28-19)10-15(17)12-24-8-6-21(7-9-24)20(26)23-13-25(21)16-4-2-1-3-5-16/h1-5,10-11H,6-9,12-14H2,(H,23,26)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
F-59000 Lille Curated by ChEMBL					Assay Description Binding affinity against mu opiate receptor				J Med Chem 44: 3391-401 (2001) BindingDB Entry DOI: 10.7270/Q2057GN9
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50105091 (2-[8-(6-Chloro-benzo[1,3]dioxol-5-ylmethyl)-4-oxo-...) Show SMILES CNC(=O)CN1CN(c2ccccc2)C2(CCN(Cc3cc4OCOc4cc3Cl)CC2)C1=O Show InChI InChI=1S/C24H27ClN4O4/c1-26-22(30)14-28-15-29(18-5-3-2-4-6-18)24(23(28)31)7-9-27(10-8-24)13-17-11-20-21(12-19(17)25)33-16-32-20/h2-6,11-12H,7-10,13-16H2,1H3,(H,26,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
F-59000 Lille Curated by ChEMBL					Assay Description Binding affinity against opioid receptor kappa 1 by using [3H]U-69593 as radioligand				J Med Chem 44: 3391-401 (2001) BindingDB Entry DOI: 10.7270/Q2057GN9
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50105066 (1-[1-(6-Chloro-benzo[1,3]dioxol-5-ylmethyl)-piperi...) Show SMILES Cc1ccc2[nH]c(=O)n(C3CCN(Cc4cc5OCOc5cc4Cl)CC3)c2c1 Show InChI InChI=1S/C21H22ClN3O3/c1-13-2-3-17-18(8-13)25(21(26)23-17)15-4-6-24(7-5-15)11-14-9-19-20(10-16(14)22)28-12-27-19/h2-3,8-10,15H,4-7,11-12H2,1H3,(H,23,26)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
F-59000 Lille Curated by ChEMBL					Assay Description Binding affinity against mu opiate receptor				J Med Chem 44: 3391-401 (2001) BindingDB Entry DOI: 10.7270/Q2057GN9
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50105066 (1-[1-(6-Chloro-benzo[1,3]dioxol-5-ylmethyl)-piperi...) Show SMILES Cc1ccc2[nH]c(=O)n(C3CCN(Cc4cc5OCOc5cc4Cl)CC3)c2c1 Show InChI InChI=1S/C21H22ClN3O3/c1-13-2-3-17-18(8-13)25(21(26)23-17)15-4-6-24(7-5-15)11-14-9-19-20(10-16(14)22)28-12-27-19/h2-3,8-10,15H,4-7,11-12H2,1H3,(H,23,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
F-59000 Lille Curated by ChEMBL					Assay Description Binding affinity against opioid receptor kappa 1 by using [3H]U-69593 as radioligand				J Med Chem 44: 3391-401 (2001) BindingDB Entry DOI: 10.7270/Q2057GN9
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50105072 (8-(6-Chloro-benzo[1,3]dioxol-5-ylmethyl)-1-phenyl-...) Show SMILES Clc1cc2OCOc2cc1CN1CCC2(CC1)N(CNC2=O)c1ccccc1 Show InChI InChI=1S/C21H22ClN3O3/c22-17-11-19-18(27-14-28-19)10-15(17)12-24-8-6-21(7-9-24)20(26)23-13-25(21)16-4-2-1-3-5-16/h1-5,10-11H,6-9,12-14H2,(H,23,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.70	n/a	n/a	n/a	n/a	n/a	n/a
F-59000 Lille Curated by ChEMBL					Assay Description Binding affinity against opioid receptor kappa 1 by using [3H]U-69593 as radioligand				J Med Chem 44: 3391-401 (2001) BindingDB Entry DOI: 10.7270/Q2057GN9
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50105111 (1-[1-(6-Chloro-benzo[1,3]dioxol-5-ylmethyl)-piperi...) Show SMILES Clc1cc2OCOc2cc1CN1CCC(CC1)n1c2ccccc2[nH]c(=O)c1=O Show InChI InChI=1S/C21H20ClN3O4/c22-15-10-19-18(28-12-29-19)9-13(15)11-24-7-5-14(6-8-24)25-17-4-2-1-3-16(17)23-20(26)21(25)27/h1-4,9-10,14H,5-8,11-12H2,(H,23,26)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
F-59000 Lille Curated by ChEMBL					Assay Description Binding affinity against mu opiate receptor				J Med Chem 44: 3391-401 (2001) BindingDB Entry DOI: 10.7270/Q2057GN9
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50105091 (2-[8-(6-Chloro-benzo[1,3]dioxol-5-ylmethyl)-4-oxo-...) Show SMILES CNC(=O)CN1CN(c2ccccc2)C2(CCN(Cc3cc4OCOc4cc3Cl)CC2)C1=O Show InChI InChI=1S/C24H27ClN4O4/c1-26-22(30)14-28-15-29(18-5-3-2-4-6-18)24(23(28)31)7-9-27(10-8-24)13-17-11-20-21(12-19(17)25)33-16-32-20/h2-6,11-12H,7-10,13-16H2,1H3,(H,26,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
F-59000 Lille Curated by ChEMBL					Assay Description Inhibition of ligand binding to human delta opioid receptor.				J Med Chem 44: 3391-401 (2001) BindingDB Entry DOI: 10.7270/Q2057GN9
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50105106 (1-[1-(2-Chloro-4-methyl-benzyl)-piperidin-4-yl]-1,...) Show SMILES Cc1ccc(CN2CCC(CC2)n2c3ccccc3[nH]c2=O)c(Cl)c1 Show InChI InChI=1S/C20H22ClN3O/c1-14-6-7-15(17(21)12-14)13-23-10-8-16(9-11-23)24-19-5-3-2-4-18(19)22-20(24)25/h2-7,12,16H,8-11,13H2,1H3,(H,22,25)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
F-59000 Lille Curated by ChEMBL					Assay Description Binding affinity against mu opiate receptor				J Med Chem 44: 3391-401 (2001) BindingDB Entry DOI: 10.7270/Q2057GN9
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50105089 (8-Benzo[1,3]dioxol-5-ylmethyl-1-phenyl-1,3,8-triaz...) Show SMILES O=C1NCN(c2ccccc2)C11CCN(Cc2ccc3OCOc3c2)CC1 Show InChI InChI=1S/C21H23N3O3/c25-20-21(24(14-22-20)17-4-2-1-3-5-17)8-10-23(11-9-21)13-16-6-7-18-19(12-16)27-15-26-18/h1-7,12H,8-11,13-15H2,(H,22,25)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
F-59000 Lille Curated by ChEMBL					Assay Description Binding affinity against mu opiate receptor				J Med Chem 44: 3391-401 (2001) BindingDB Entry DOI: 10.7270/Q2057GN9
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50105086 (1-[1-(6-Nitro-benzo[1,3]dioxol-5-ylmethyl)-1,2,3,6...) Show SMILES [O-][N+](=O)c1cc2OCOc2cc1CN1CCC(=CC1)n1[c-]2ccccc2nc1=[OH+] |c:18| Show InChI InChI=1S/C20H17N4O5/c25-20-21-15-3-1-2-4-16(15)23(20)14-5-7-22(8-6-14)11-13-9-18-19(29-12-28-18)10-17(13)24(26)27/h1-5,9-10H,6-8,11-12H2/q-1/p+1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
F-59000 Lille Curated by ChEMBL					Assay Description Binding affinity against mu opiate receptor				J Med Chem 44: 3391-401 (2001) BindingDB Entry DOI: 10.7270/Q2057GN9
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM50105091 (2-[8-(6-Chloro-benzo[1,3]dioxol-5-ylmethyl)-4-oxo-...) Show SMILES CNC(=O)CN1CN(c2ccccc2)C2(CCN(Cc3cc4OCOc4cc3Cl)CC2)C1=O Show InChI InChI=1S/C24H27ClN4O4/c1-26-22(30)14-28-15-29(18-5-3-2-4-6-18)24(23(28)31)7-9-27(10-8-24)13-17-11-20-21(12-19(17)25)33-16-32-20/h2-6,11-12H,7-10,13-16H2,1H3,(H,26,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
F-59000 Lille Curated by ChEMBL					Assay Description Inhibition of human ORL1 orphanin receptor				J Med Chem 44: 3391-401 (2001) BindingDB Entry DOI: 10.7270/Q2057GN9
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50105088 (1-Phenyl-8-[1,3,4]thiadiazolo[3,4-a]pyridazin-6-yl...) Show SMILES O=C1NCN(c2ccccc2)C11CCN(Cc2ccc3nsnc3c2)CC1 Show InChI InChI=1S/C20H21N5OS/c26-19-20(25(14-21-19)16-4-2-1-3-5-16)8-10-24(11-9-20)13-15-6-7-17-18(12-15)23-27-22-17/h1-7,12H,8-11,13-14H2,(H,21,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
F-59000 Lille Curated by ChEMBL					Assay Description Inhibition of human dopamine receptor D3				J Med Chem 44: 3391-401 (2001) BindingDB Entry DOI: 10.7270/Q2057GN9
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50105088 (1-Phenyl-8-[1,3,4]thiadiazolo[3,4-a]pyridazin-6-yl...) Show SMILES O=C1NCN(c2ccccc2)C11CCN(Cc2ccc3nsnc3c2)CC1 Show InChI InChI=1S/C20H21N5OS/c26-19-20(25(14-21-19)16-4-2-1-3-5-16)8-10-24(11-9-20)13-15-6-7-17-18(12-15)23-27-22-17/h1-7,12H,8-11,13-14H2,(H,21,26)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
F-59000 Lille Curated by ChEMBL					Assay Description Binding affinity against mu opiate receptor				J Med Chem 44: 3391-401 (2001) BindingDB Entry DOI: 10.7270/Q2057GN9
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50105111 (1-[1-(6-Chloro-benzo[1,3]dioxol-5-ylmethyl)-piperi...) Show SMILES Clc1cc2OCOc2cc1CN1CCC(CC1)n1c2ccccc2[nH]c(=O)c1=O Show InChI InChI=1S/C21H20ClN3O4/c22-15-10-19-18(28-12-29-19)9-13(15)11-24-7-5-14(6-8-24)25-17-4-2-1-3-16(17)23-20(26)21(25)27/h1-4,9-10,14H,5-8,11-12H2,(H,23,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
F-59000 Lille Curated by ChEMBL					Assay Description Binding affinity against opioid receptor kappa 1 by using [3H]U-69593 as radioligand				J Med Chem 44: 3391-401 (2001) BindingDB Entry DOI: 10.7270/Q2057GN9
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50105080 (1-[1-(6-Nitro-benzo[1,3]dioxol-5-ylmethyl)-piperid...) Show SMILES [O-][N+](=O)c1cc2OCOc2cc1CN1CCC(CC1)n1[c-]2ccccc2nc1=[OH+] Show InChI InChI=1S/C20H19N4O5/c25-20-21-15-3-1-2-4-16(15)23(20)14-5-7-22(8-6-14)11-13-9-18-19(29-12-28-18)10-17(13)24(26)27/h1-4,9-10,14H,5-8,11-12H2/q-1/p+1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
F-59000 Lille Curated by ChEMBL					Assay Description Binding affinity against opioid receptor kappa 1 by using [3H]U-69593 as radioligand				J Med Chem 44: 3391-401 (2001) BindingDB Entry DOI: 10.7270/Q2057GN9
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50105094 (1-[1-(6-Chloro-benzo[1,3]dioxol-5-ylmethyl)-piperi...) Show SMILES Clc1cc2OCOc2cc1CN1CCC(CC1)n1c2ccccc2[nH]c1=O Show InChI InChI=1S/C20H20ClN3O3/c21-15-10-19-18(26-12-27-19)9-13(15)11-23-7-5-14(6-8-23)24-17-4-2-1-3-16(17)22-20(24)25/h1-4,9-10,14H,5-8,11-12H2,(H,22,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
F-59000 Lille Curated by ChEMBL					Assay Description Inhibition of ligand binding to human delta opioid receptor.				J Med Chem 44: 3391-401 (2001) BindingDB Entry DOI: 10.7270/Q2057GN9
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM50105094 (1-[1-(6-Chloro-benzo[1,3]dioxol-5-ylmethyl)-piperi...) Show SMILES Clc1cc2OCOc2cc1CN1CCC(CC1)n1c2ccccc2[nH]c1=O Show InChI InChI=1S/C20H20ClN3O3/c21-15-10-19-18(26-12-27-19)9-13(15)11-23-7-5-14(6-8-23)24-17-4-2-1-3-16(17)22-20(24)25/h1-4,9-10,14H,5-8,11-12H2,(H,22,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
F-59000 Lille Curated by ChEMBL					Assay Description Inhibition of human ORL1 orphanin receptor				J Med Chem 44: 3391-401 (2001) BindingDB Entry DOI: 10.7270/Q2057GN9
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50105089 (8-Benzo[1,3]dioxol-5-ylmethyl-1-phenyl-1,3,8-triaz...) Show SMILES O=C1NCN(c2ccccc2)C11CCN(Cc2ccc3OCOc3c2)CC1 Show InChI InChI=1S/C21H23N3O3/c25-20-21(24(14-22-20)17-4-2-1-3-5-17)8-10-23(11-9-21)13-16-6-7-18-19(12-16)27-15-26-18/h1-7,12H,8-11,13-15H2,(H,22,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	56	n/a	n/a	n/a	n/a	n/a	n/a
F-59000 Lille Curated by ChEMBL					Assay Description Binding affinity against opioid receptor kappa 1 by using [3H]U-69593 as radioligand				J Med Chem 44: 3391-401 (2001) BindingDB Entry DOI: 10.7270/Q2057GN9
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50105076 (8-(3-Phenoxy-benzyl)-1-phenyl-1,3,8-triaza-spiro[4...) Show SMILES O=C1NCN(c2ccccc2)C11CCN(Cc2cccc(Oc3ccccc3)c2)CC1 Show InChI InChI=1S/C26H27N3O2/c30-25-26(29(20-27-25)22-9-3-1-4-10-22)14-16-28(17-15-26)19-21-8-7-13-24(18-21)31-23-11-5-2-6-12-23/h1-13,18H,14-17,19-20H2,(H,27,30)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	84	n/a	n/a	n/a	n/a	n/a	n/a
F-59000 Lille Curated by ChEMBL					Assay Description Binding affinity against mu opiate receptor				J Med Chem 44: 3391-401 (2001) BindingDB Entry DOI: 10.7270/Q2057GN9
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM50105072 (8-(6-Chloro-benzo[1,3]dioxol-5-ylmethyl)-1-phenyl-...) Show SMILES Clc1cc2OCOc2cc1CN1CCC2(CC1)N(CNC2=O)c1ccccc1 Show InChI InChI=1S/C21H22ClN3O3/c22-17-11-19-18(27-14-28-19)10-15(17)12-24-8-6-21(7-9-24)20(26)23-13-25(21)16-4-2-1-3-5-16/h1-5,10-11H,6-9,12-14H2,(H,23,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	97	n/a	n/a	n/a	n/a	n/a	n/a
F-59000 Lille Curated by ChEMBL					Assay Description Inhibition of human ORL1 orphanin receptor				J Med Chem 44: 3391-401 (2001) BindingDB Entry DOI: 10.7270/Q2057GN9
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50105076 (8-(3-Phenoxy-benzyl)-1-phenyl-1,3,8-triaza-spiro[4...) Show SMILES O=C1NCN(c2ccccc2)C11CCN(Cc2cccc(Oc3ccccc3)c2)CC1 Show InChI InChI=1S/C26H27N3O2/c30-25-26(29(20-27-25)22-9-3-1-4-10-22)14-16-28(17-15-26)19-21-8-7-13-24(18-21)31-23-11-5-2-6-12-23/h1-13,18H,14-17,19-20H2,(H,27,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	101	n/a	n/a	n/a	n/a	n/a	n/a
F-59000 Lille Curated by ChEMBL					Assay Description Binding affinity against opioid receptor kappa 1 by using [3H]U-69593 as radioligand				J Med Chem 44: 3391-401 (2001) BindingDB Entry DOI: 10.7270/Q2057GN9
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50105088 (1-Phenyl-8-[1,3,4]thiadiazolo[3,4-a]pyridazin-6-yl...) Show SMILES O=C1NCN(c2ccccc2)C11CCN(Cc2ccc3nsnc3c2)CC1 Show InChI InChI=1S/C20H21N5OS/c26-19-20(25(14-21-19)16-4-2-1-3-5-16)8-10-24(11-9-20)13-15-6-7-17-18(12-15)23-27-22-17/h1-7,12H,8-11,13-14H2,(H,21,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	104	n/a	n/a	n/a	n/a	n/a	n/a
F-59000 Lille Curated by ChEMBL					Assay Description Binding affinity against opioid receptor kappa 1 by using [3H]U-69593 as radioligand				J Med Chem 44: 3391-401 (2001) BindingDB Entry DOI: 10.7270/Q2057GN9
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50105066 (1-[1-(6-Chloro-benzo[1,3]dioxol-5-ylmethyl)-piperi...) Show SMILES Cc1ccc2[nH]c(=O)n(C3CCN(Cc4cc5OCOc5cc4Cl)CC3)c2c1 Show InChI InChI=1S/C21H22ClN3O3/c1-13-2-3-17-18(8-13)25(21(26)23-17)15-4-6-24(7-5-15)11-14-9-19-20(10-16(14)22)28-12-27-19/h2-3,8-10,15H,4-7,11-12H2,1H3,(H,23,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	117	n/a	n/a	n/a	n/a	n/a	n/a
F-59000 Lille Curated by ChEMBL					Assay Description Inhibition of ligand binding to human delta opioid receptor.				J Med Chem 44: 3391-401 (2001) BindingDB Entry DOI: 10.7270/Q2057GN9
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50105088 (1-Phenyl-8-[1,3,4]thiadiazolo[3,4-a]pyridazin-6-yl...) Show SMILES O=C1NCN(c2ccccc2)C11CCN(Cc2ccc3nsnc3c2)CC1 Show InChI InChI=1S/C20H21N5OS/c26-19-20(25(14-21-19)16-4-2-1-3-5-16)8-10-24(11-9-20)13-15-6-7-17-18(12-15)23-27-22-17/h1-7,12H,8-11,13-14H2,(H,21,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	123	n/a	n/a	n/a	n/a	n/a	n/a
F-59000 Lille Curated by ChEMBL					Assay Description Inhibition of human dopamine receptor D2				J Med Chem 44: 3391-401 (2001) BindingDB Entry DOI: 10.7270/Q2057GN9
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50105072 (8-(6-Chloro-benzo[1,3]dioxol-5-ylmethyl)-1-phenyl-...) Show SMILES Clc1cc2OCOc2cc1CN1CCC2(CC1)N(CNC2=O)c1ccccc1 Show InChI InChI=1S/C21H22ClN3O3/c22-17-11-19-18(27-14-28-19)10-15(17)12-24-8-6-21(7-9-24)20(26)23-13-25(21)16-4-2-1-3-5-16/h1-5,10-11H,6-9,12-14H2,(H,23,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	138	n/a	n/a	n/a	n/a	n/a	n/a
F-59000 Lille Curated by ChEMBL					Assay Description Inhibition of ligand binding to human delta opioid receptor.				J Med Chem 44: 3391-401 (2001) BindingDB Entry DOI: 10.7270/Q2057GN9
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50105061 (4-(2-Oxo-2,3-dihydro-benzoimidazol-1-yl)-piperidin...) Show SMILES Clc1cc2OCOc2cc1COC(=O)N1CCC(CC1)n1c2ccccc2[nH]c1=O Show InChI InChI=1S/C21H20ClN3O5/c22-15-10-19-18(29-12-30-19)9-13(15)11-28-21(27)24-7-5-14(6-8-24)25-17-4-2-1-3-16(17)23-20(25)26/h1-4,9-10,14H,5-8,11-12H2,(H,23,26)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	147	n/a	n/a	n/a	n/a	n/a	n/a
F-59000 Lille Curated by ChEMBL					Assay Description Binding affinity against mu opiate receptor				J Med Chem 44: 3391-401 (2001) BindingDB Entry DOI: 10.7270/Q2057GN9
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50105076 (8-(3-Phenoxy-benzyl)-1-phenyl-1,3,8-triaza-spiro[4...) Show SMILES O=C1NCN(c2ccccc2)C11CCN(Cc2cccc(Oc3ccccc3)c2)CC1 Show InChI InChI=1S/C26H27N3O2/c30-25-26(29(20-27-25)22-9-3-1-4-10-22)14-16-28(17-15-26)19-21-8-7-13-24(18-21)31-23-11-5-2-6-12-23/h1-13,18H,14-17,19-20H2,(H,27,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	149	n/a	n/a	n/a	n/a	n/a	n/a
F-59000 Lille Curated by ChEMBL					Assay Description Inhibition of human dopamine receptor D3				J Med Chem 44: 3391-401 (2001) BindingDB Entry DOI: 10.7270/Q2057GN9
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50105106 (1-[1-(2-Chloro-4-methyl-benzyl)-piperidin-4-yl]-1,...) Show SMILES Cc1ccc(CN2CCC(CC2)n2c3ccccc3[nH]c2=O)c(Cl)c1 Show InChI InChI=1S/C20H22ClN3O/c1-14-6-7-15(17(21)12-14)13-23-10-8-16(9-11-23)24-19-5-3-2-4-18(19)22-20(24)25/h2-7,12,16H,8-11,13H2,1H3,(H,22,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	154	n/a	n/a	n/a	n/a	n/a	n/a
F-59000 Lille Curated by ChEMBL					Assay Description Inhibition of human dopamine receptor D3				J Med Chem 44: 3391-401 (2001) BindingDB Entry DOI: 10.7270/Q2057GN9
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50105089 (8-Benzo[1,3]dioxol-5-ylmethyl-1-phenyl-1,3,8-triaz...) Show SMILES O=C1NCN(c2ccccc2)C11CCN(Cc2ccc3OCOc3c2)CC1 Show InChI InChI=1S/C21H23N3O3/c25-20-21(24(14-22-20)17-4-2-1-3-5-17)8-10-23(11-9-21)13-16-6-7-18-19(12-16)27-15-26-18/h1-7,12H,8-11,13-15H2,(H,22,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
F-59000 Lille Curated by ChEMBL					Assay Description Inhibition of human dopamine receptor D3				J Med Chem 44: 3391-401 (2001) BindingDB Entry DOI: 10.7270/Q2057GN9
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM50105070 (1-{3-[(6-Chloro-benzo[1,3]dioxol-5-ylmethyl)-amino...) Show SMILES Clc1cc2OCOc2cc1CNCCCn1c2ccccc2[nH]c1=O Show InChI InChI=1S/C18H18ClN3O3/c19-13-9-17-16(24-11-25-17)8-12(13)10-20-6-3-7-22-15-5-2-1-4-14(15)21-18(22)23/h1-2,4-5,8-9,20H,3,6-7,10-11H2,(H,21,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	174	n/a	n/a	n/a	n/a	n/a	n/a
F-59000 Lille Curated by ChEMBL					Assay Description Inhibition of alpha-1 adrenergic receptor				J Med Chem 44: 3391-401 (2001) BindingDB Entry DOI: 10.7270/Q2057GN9
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50105090 (3-Methylcarbamoylmethyl-4-oxo-1-phenyl-1,3,8-triaz...) Show SMILES CNC(=O)CN1CN(c2ccccc2)C2(CCN(CC2)C(=O)OCc2cc3OCOc3cc2Cl)C1=O Show InChI InChI=1S/C25H27ClN4O6/c1-27-22(31)13-29-15-30(18-5-3-2-4-6-18)25(23(29)32)7-9-28(10-8-25)24(33)34-14-17-11-20-21(12-19(17)26)36-16-35-20/h2-6,11-12H,7-10,13-16H2,1H3,(H,27,31)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	179	n/a	n/a	n/a	n/a	n/a	n/a
F-59000 Lille Curated by ChEMBL					Assay Description Binding affinity against mu opiate receptor				J Med Chem 44: 3391-401 (2001) BindingDB Entry DOI: 10.7270/Q2057GN9
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50105109 (4-[4,4-Bis-(4-fluoro-phenyl)-butyl]-piperazine-1-c...) Show SMILES Fc1ccc(cc1)C(CCCN1CCN(CC1)C(=O)OCCc1ccc(cc1)C#N)c1ccc(F)cc1 Show InChI InChI=1S/C30H31F2N3O2/c31-27-11-7-25(8-12-27)29(26-9-13-28(32)14-10-26)2-1-16-34-17-19-35(20-18-34)30(36)37-21-15-23-3-5-24(22-33)6-4-23/h3-14,29H,1-2,15-21H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	195	n/a	n/a	n/a	n/a	n/a	n/a
F-59000 Lille Curated by ChEMBL					Assay Description Inhibition of human dopamine receptor D3				J Med Chem 44: 3391-401 (2001) BindingDB Entry DOI: 10.7270/Q2057GN9
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50105117 (4-(3-Phenyl-allyl)-piperazine-1-carboxylic acid 2-...) Show SMILES O=C(OCCc1ccc(cc1)C#N)N1CCN(C\C=C\c2ccccc2)CC1 Show InChI InChI=1S/C23H25N3O2/c24-19-22-10-8-21(9-11-22)12-18-28-23(27)26-16-14-25(15-17-26)13-4-7-20-5-2-1-3-6-20/h1-11H,12-18H2/b7-4+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	197	n/a	n/a	n/a	n/a	n/a	n/a
F-59000 Lille Curated by ChEMBL					Assay Description Binding affinity against mu opiate receptor				J Med Chem 44: 3391-401 (2001) BindingDB Entry DOI: 10.7270/Q2057GN9
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50105102 (4-[4,4-Bis-(4-fluoro-phenyl)-butyl]-piperazine-1-c...) Show SMILES CCOc1ccc(CCNC(=O)N2CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 Show InChI InChI=1S/C31H37F2N3O2/c1-2-38-29-15-5-24(6-16-29)17-18-34-31(37)36-22-20-35(21-23-36)19-3-4-30(25-7-11-27(32)12-8-25)26-9-13-28(33)14-10-26/h5-16,30H,2-4,17-23H2,1H3,(H,34,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	231	n/a	n/a	n/a	n/a	n/a	n/a
F-59000 Lille Curated by ChEMBL					Assay Description Inhibition of human 5-hydroxytryptamine 2A receptor				J Med Chem 44: 3391-401 (2001) BindingDB Entry DOI: 10.7270/Q2057GN9
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50105070 (1-{3-[(6-Chloro-benzo[1,3]dioxol-5-ylmethyl)-amino...) Show SMILES Clc1cc2OCOc2cc1CNCCCn1c2ccccc2[nH]c1=O Show InChI InChI=1S/C18H18ClN3O3/c19-13-9-17-16(24-11-25-17)8-12(13)10-20-6-3-7-22-15-5-2-1-4-14(15)21-18(22)23/h1-2,4-5,8-9,20H,3,6-7,10-11H2,(H,21,23)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	235	n/a	n/a	n/a	n/a	n/a	n/a
F-59000 Lille Curated by ChEMBL					Assay Description Binding affinity against mu opiate receptor				J Med Chem 44: 3391-401 (2001) BindingDB Entry DOI: 10.7270/Q2057GN9
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50105080 (1-[1-(6-Nitro-benzo[1,3]dioxol-5-ylmethyl)-piperid...) Show SMILES [O-][N+](=O)c1cc2OCOc2cc1CN1CCC(CC1)n1[c-]2ccccc2nc1=[OH+] Show InChI InChI=1S/C20H19N4O5/c25-20-21-15-3-1-2-4-16(15)23(20)14-5-7-22(8-6-14)11-13-9-18-19(29-12-28-18)10-17(13)24(26)27/h1-4,9-10,14H,5-8,11-12H2/q-1/p+1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	264	n/a	n/a	n/a	n/a	n/a	n/a
F-59000 Lille Curated by ChEMBL					Assay Description Inhibition of ligand binding to human delta opioid receptor.				J Med Chem 44: 3391-401 (2001) BindingDB Entry DOI: 10.7270/Q2057GN9
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50105106 (1-[1-(2-Chloro-4-methyl-benzyl)-piperidin-4-yl]-1,...) Show SMILES Cc1ccc(CN2CCC(CC2)n2c3ccccc3[nH]c2=O)c(Cl)c1 Show InChI InChI=1S/C20H22ClN3O/c1-14-6-7-15(17(21)12-14)13-23-10-8-16(9-11-23)24-19-5-3-2-4-18(19)22-20(24)25/h2-7,12,16H,8-11,13H2,1H3,(H,22,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	270	n/a	n/a	n/a	n/a	n/a	n/a
F-59000 Lille Curated by ChEMBL					Assay Description Binding affinity against opioid receptor kappa 1 by using [3H]U-69593 as radioligand				J Med Chem 44: 3391-401 (2001) BindingDB Entry DOI: 10.7270/Q2057GN9
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50105110 (4-(3-Phenyl-propyl)-piperazine-1-carboxylic acid 2...) Show SMILES O=C(OCCc1ccc(cc1)C#N)N1CCN(CCCc2ccccc2)CC1 Show InChI InChI=1S/C23H27N3O2/c24-19-22-10-8-21(9-11-22)12-18-28-23(27)26-16-14-25(15-17-26)13-4-7-20-5-2-1-3-6-20/h1-3,5-6,8-11H,4,7,12-18H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/a
F-59000 Lille Curated by ChEMBL					Assay Description Inhibition of histamine H1 receptor				J Med Chem 44: 3391-401 (2001) BindingDB Entry DOI: 10.7270/Q2057GN9
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50105107 (1-{4-[4,4-Bis-(4-fluoro-phenyl)-butyl]-piperazin-1...) Show SMILES Fc1ccc(cc1)C(CCCN1CCN(CC1)C(=O)CCCc1ccccc1)c1ccc(F)cc1 Show InChI InChI=1S/C30H34F2N2O/c31-27-15-11-25(12-16-27)29(26-13-17-28(32)18-14-26)9-5-19-33-20-22-34(23-21-33)30(35)10-4-8-24-6-2-1-3-7-24/h1-3,6-7,11-18,29H,4-5,8-10,19-23H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/a
F-59000 Lille Curated by ChEMBL					Assay Description Inhibition of human dopamine receptor D4.4				J Med Chem 44: 3391-401 (2001) BindingDB Entry DOI: 10.7270/Q2057GN9
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM50105066 (1-[1-(6-Chloro-benzo[1,3]dioxol-5-ylmethyl)-piperi...) Show SMILES Cc1ccc2[nH]c(=O)n(C3CCN(Cc4cc5OCOc5cc4Cl)CC3)c2c1 Show InChI InChI=1S/C21H22ClN3O3/c1-13-2-3-17-18(8-13)25(21(26)23-17)15-4-6-24(7-5-15)11-14-9-19-20(10-16(14)22)28-12-27-19/h2-3,8-10,15H,4-7,11-12H2,1H3,(H,23,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	283	n/a	n/a	n/a	n/a	n/a	n/a
F-59000 Lille Curated by ChEMBL					Assay Description Inhibition of human ORL1 orphanin receptor				J Med Chem 44: 3391-401 (2001) BindingDB Entry DOI: 10.7270/Q2057GN9
					More data for this Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C/alpha-1D/alpha-1F/alpha-1S (Homo sapiens (Human))	BDBM50105105 (CHEMBL116463 | {1-[4,4-Bis-(4-fluoro-phenyl)-butyl...) Show SMILES Fc1ccc(cc1)C(CCCN1CCC(CC1)NC(=O)OCCc1ccc(cc1)C#N)c1ccc(F)cc1 Show InChI InChI=1S/C31H33F2N3O2/c32-27-11-7-25(8-12-27)30(26-9-13-28(33)14-10-26)2-1-18-36-19-15-29(16-20-36)35-31(37)38-21-17-23-3-5-24(22-34)6-4-23/h3-14,29-30H,1-2,15-21H2,(H,35,37)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	284	n/a	n/a	n/a	n/a	n/a	n/a
F-59000 Lille Curated by ChEMBL					Assay Description Binding affinity against L-type calcium channel verapamil site				J Med Chem 44: 3391-401 (2001) BindingDB Entry DOI: 10.7270/Q2057GN9
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50105061 (4-(2-Oxo-2,3-dihydro-benzoimidazol-1-yl)-piperidin...) Show SMILES Clc1cc2OCOc2cc1COC(=O)N1CCC(CC1)n1c2ccccc2[nH]c1=O Show InChI InChI=1S/C21H20ClN3O5/c22-15-10-19-18(29-12-30-19)9-13(15)11-28-21(27)24-7-5-14(6-8-24)25-17-4-2-1-3-16(17)23-20(25)26/h1-4,9-10,14H,5-8,11-12H2,(H,23,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	284	n/a	n/a	n/a	n/a	n/a	n/a
F-59000 Lille Curated by ChEMBL					Assay Description Binding affinity against opioid receptor kappa 1 by using [3H]U-69593 as radioligand				J Med Chem 44: 3391-401 (2001) BindingDB Entry DOI: 10.7270/Q2057GN9
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50105086 (1-[1-(6-Nitro-benzo[1,3]dioxol-5-ylmethyl)-1,2,3,6...) Show SMILES [O-][N+](=O)c1cc2OCOc2cc1CN1CCC(=CC1)n1[c-]2ccccc2nc1=[OH+] |c:18| Show InChI InChI=1S/C20H17N4O5/c25-20-21-15-3-1-2-4-16(15)23(20)14-5-7-22(8-6-14)11-13-9-18-19(29-12-28-18)10-17(13)24(26)27/h1-5,9-10H,6-8,11-12H2/q-1/p+1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	311	n/a	n/a	n/a	n/a	n/a	n/a
F-59000 Lille Curated by ChEMBL					Assay Description Binding affinity against opioid receptor kappa 1 by using [3H]U-69593 as radioligand				J Med Chem 44: 3391-401 (2001) BindingDB Entry DOI: 10.7270/Q2057GN9
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50105070 (1-{3-[(6-Chloro-benzo[1,3]dioxol-5-ylmethyl)-amino...) Show SMILES Clc1cc2OCOc2cc1CNCCCn1c2ccccc2[nH]c1=O Show InChI InChI=1S/C18H18ClN3O3/c19-13-9-17-16(24-11-25-17)8-12(13)10-20-6-3-7-22-15-5-2-1-4-14(15)21-18(22)23/h1-2,4-5,8-9,20H,3,6-7,10-11H2,(H,21,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	328	n/a	n/a	n/a	n/a	n/a	n/a
F-59000 Lille Curated by ChEMBL					Assay Description Inhibition of sigma receptor				J Med Chem 44: 3391-401 (2001) BindingDB Entry DOI: 10.7270/Q2057GN9
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50105090 (3-Methylcarbamoylmethyl-4-oxo-1-phenyl-1,3,8-triaz...) Show SMILES CNC(=O)CN1CN(c2ccccc2)C2(CCN(CC2)C(=O)OCc2cc3OCOc3cc2Cl)C1=O Show InChI InChI=1S/C25H27ClN4O6/c1-27-22(31)13-29-15-30(18-5-3-2-4-6-18)25(23(29)32)7-9-28(10-8-25)24(33)34-14-17-11-20-21(12-19(17)26)36-16-35-20/h2-6,11-12H,7-10,13-16H2,1H3,(H,27,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	333	n/a	n/a	n/a	n/a	n/a	n/a
F-59000 Lille Curated by ChEMBL					Assay Description Binding affinity against opioid receptor kappa 1 by using [3H]U-69593 as radioligand				J Med Chem 44: 3391-401 (2001) BindingDB Entry DOI: 10.7270/Q2057GN9
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50105101 (4-[4,4-Bis-(4-fluoro-phenyl)-butyl]-piperazine-1-c...) Show SMILES Fc1ccc(CCOC(=O)N2CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 Show InChI InChI=1S/C29H31F3N2O2/c30-25-9-3-22(4-10-25)15-21-36-29(35)34-19-17-33(18-20-34)16-1-2-28(23-5-11-26(31)12-6-23)24-7-13-27(32)14-8-24/h3-14,28H,1-2,15-21H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	338	n/a	n/a	n/a	n/a	n/a	n/a
F-59000 Lille Curated by ChEMBL					Assay Description Inhibition of human dopamine receptor D4.4				J Med Chem 44: 3391-401 (2001) BindingDB Entry DOI: 10.7270/Q2057GN9
					More data for this Ligand-Target Pair

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