Compile Data Set for Download or QSAR

Found 826 hits with Last Name = 'das' and Initial = 'p'   

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
Thyroid hormone receptor beta (Homo sapiens (Human))	BDBM50123058 (2-(3,5-dichloro-4-(4-hydroxy-3-(piperidin-1-ylsulf...) Show SMILES Oc1ccc(Oc2c(Cl)cc(cc2Cl)-n2ncc(=O)[nH]c2=O)cc1S(=O)(=O)N1CCCCC1 Show InChI InChI=1S/C20H18Cl2N4O6S/c21-14-8-12(26-20(29)24-18(28)11-23-26)9-15(22)19(14)32-13-4-5-16(27)17(10-13)33(30,31)25-6-2-1-3-7-25/h4-5,8-11,27H,1-3,6-7H2,(H,24,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibitory activity against [125I]-T3 binding to human TRbeta1 receptor				Bioorg Med Chem Lett 13: 379-82 (2003) BindingDB Entry DOI: 10.7270/Q26T0KZB
					More data for this Ligand-Target Pair
Thyroid hormone receptor beta (Homo sapiens (Human))	BDBM50123046 (2-[4-(4-Hydroxy-3-isopropyl-phenoxy)-3,5-dimethyl-...) Show SMILES CC(C)c1cc(Oc2c(C)cc(cc2C)-n2ncc(=O)[nH]c2=O)ccc1O Show InChI InChI=1S/C20H21N3O4/c1-11(2)16-9-15(5-6-17(16)24)27-19-12(3)7-14(8-13(19)4)23-20(26)22-18(25)10-21-23/h5-11,24H,1-4H3,(H,22,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB PubMed	0.0300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibitory activity against [125I]-T3 binding to human TRbeta1 receptor				Bioorg Med Chem Lett 13: 379-82 (2003) BindingDB Entry DOI: 10.7270/Q26T0KZB
					More data for this Ligand-Target Pair				3D Structure (crystal)
Thyroid hormone receptor beta (Homo sapiens (Human))	BDBM50123044 (5-(2,6-dichloro-4-(3,5-dioxo-4,5-dihydro-1,2,4-tri...) Show SMILES CC1(C)C2CC1C(CC2)NC(=O)c1cc(Oc2c(Cl)cc(cc2Cl)-n2ncc(=O)[nH]c2=O)ccc1O |THB:9:6:1:4| Show InChI InChI=1S/C25H24Cl2N4O5/c1-25(2)12-3-5-19(16(25)7-12)29-23(34)15-10-14(4-6-20(15)32)36-22-17(26)8-13(9-18(22)27)31-24(35)30-21(33)11-28-31/h4,6,8-12,16,19,32H,3,5,7H2,1-2H3,(H,29,34)(H,30,33,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibitory activity against [125I]-T3 binding to human TRbeta1 receptor				Bioorg Med Chem Lett 13: 379-82 (2003) BindingDB Entry DOI: 10.7270/Q26T0KZB
					More data for this Ligand-Target Pair
Thyroid hormone receptor beta (Homo sapiens (Human))	BDBM50123044 (5-(2,6-dichloro-4-(3,5-dioxo-4,5-dihydro-1,2,4-tri...) Show SMILES CC1(C)C2CC1C(CC2)NC(=O)c1cc(Oc2c(Cl)cc(cc2Cl)-n2ncc(=O)[nH]c2=O)ccc1O |THB:9:6:1:4| Show InChI InChI=1S/C25H24Cl2N4O5/c1-25(2)12-3-5-19(16(25)7-12)29-23(34)15-10-14(4-6-20(15)32)36-22-17(26)8-13(9-18(22)27)31-24(35)30-21(33)11-28-31/h4,6,8-12,16,19,32H,3,5,7H2,1-2H3,(H,29,34)(H,30,33,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibitory activity against [125I]-T3 binding to human TRbeta1 receptor				Bioorg Med Chem Lett 13: 379-82 (2003) BindingDB Entry DOI: 10.7270/Q26T0KZB
					More data for this Ligand-Target Pair
Thyroid hormone receptor beta (Homo sapiens (Human))	BDBM50123045 (CHEMBL413699 | N-Cyclohexyl-5-[2,6-dichloro-4-(3,5...) Show SMILES Oc1ccc(Oc2c(Cl)cc(cc2Cl)-n2ncc(=O)[nH]c2=O)cc1C(=O)NC1CCCCC1 Show InChI InChI=1S/C22H20Cl2N4O5/c23-16-8-13(28-22(32)27-19(30)11-25-28)9-17(24)20(16)33-14-6-7-18(29)15(10-14)21(31)26-12-4-2-1-3-5-12/h6-12,29H,1-5H2,(H,26,31)(H,27,30,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibitory activity against [125I]-T3 binding to human TRbeta1 receptor				Bioorg Med Chem Lett 13: 379-82 (2003) BindingDB Entry DOI: 10.7270/Q26T0KZB
					More data for this Ligand-Target Pair
Thyroid hormone receptor beta (Homo sapiens (Human))	BDBM18860 ((2R)-2-amino-3-[4-(4-hydroxy-3-iodophenoxy)-3,5-di...) Show SMILES N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(O)=O |r| Show InChI InChI=1S/C15H12I3NO4/c16-9-6-8(1-2-13(9)20)23-14-10(17)3-7(4-11(14)18)5-12(19)15(21)22/h1-4,6,12,20H,5,19H2,(H,21,22)/t12-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB PubMed	0.0800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibitory activity against [125I]-T3 binding to human TRbeta1 receptor				Bioorg Med Chem Lett 13: 379-82 (2003) BindingDB Entry DOI: 10.7270/Q26T0KZB
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50301747 (1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-methyl-3-(...) Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccccc1Cl)-c1cn(cn1)C(C)(C)c1ccccc1 Show InChI InChI=1S/C28H24Cl2N4/c1-19-26(24-17-33(18-31-24)28(2,3)21-9-5-4-6-10-21)32-34(25-12-8-7-11-23(25)30)27(19)20-13-15-22(29)16-14-20/h4-18H,1-3H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Antagonist activity at human CB1 receptor transfected in CHO-K1cells by GTPgamma[35S] binding assay				Bioorg Med Chem Lett 19: 5351-4 (2009) Article DOI: 10.1016/j.bmcl.2009.07.130 BindingDB Entry DOI: 10.7270/Q2KP827S
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50301739 (5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl...) Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)-c1cn(cn1)C(C)(C)c1ccccc1 Show InChI InChI=1S/C28H23Cl3N4/c1-18-26(24-16-34(17-32-24)28(2,3)20-7-5-4-6-8-20)33-35(25-14-13-22(30)15-23(25)31)27(18)19-9-11-21(29)12-10-19/h4-17H,1-3H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Antagonist activity at human CB1 receptor transfected in CHO-K1cells by GTPgamma[35S] binding assay				Bioorg Med Chem Lett 19: 5351-4 (2009) Article DOI: 10.1016/j.bmcl.2009.07.130 BindingDB Entry DOI: 10.7270/Q2KP827S
					More data for this Ligand-Target Pair
Thyroid hormone receptor beta (Homo sapiens (Human))	BDBM50123054 (5-(2,6-dichloro-4-(3,5-dioxo-4,5-dihydro-1,2,4-tri...) Show SMILES Oc1ccc(Oc2c(Cl)cc(cc2Cl)-n2ncc(=O)[nH]c2=O)cc1S(=O)(=O)Nc1ccccc1 Show InChI InChI=1S/C21H14Cl2N4O6S/c22-15-8-13(27-21(30)25-19(29)11-24-27)9-16(23)20(15)33-14-6-7-17(28)18(10-14)34(31,32)26-12-4-2-1-3-5-12/h1-11,26,28H,(H,25,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibitory activity against [125I]-T3 binding to human TRbeta1 receptor				Bioorg Med Chem Lett 13: 379-82 (2003) BindingDB Entry DOI: 10.7270/Q26T0KZB
					More data for this Ligand-Target Pair
Thyroid hormone receptor beta (Homo sapiens (Human))	BDBM50123064 (2-(3-chloro-4-(4-hydroxy-3-(piperidin-1-ylsulfonyl...) Show SMILES Cc1cc(cc(Cl)c1Oc1ccc(O)c(c1)S(=O)(=O)N1CCCCC1)-n1ncc(=O)[nH]c1=O Show InChI InChI=1S/C21H21ClN4O6S/c1-13-9-14(26-21(29)24-19(28)12-23-26)10-16(22)20(13)32-15-5-6-17(27)18(11-15)33(30,31)25-7-3-2-4-8-25/h5-6,9-12,27H,2-4,7-8H2,1H3,(H,24,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibitory activity against [125I]-T3 binding to human TRbeta1 receptor				Bioorg Med Chem Lett 13: 379-82 (2003) BindingDB Entry DOI: 10.7270/Q26T0KZB
					More data for this Ligand-Target Pair
Thyroid hormone receptor beta (Homo sapiens (Human))	BDBM50123063 (2-{3,5-Dichloro-4-[4-hydroxy-3-(indole-1-sulfonyl)...) Show SMILES Oc1ccc(Oc2c(Cl)cc(cc2Cl)-n2ncc(=O)[nH]c2=O)cc1S(=O)(=O)n1ccc2ccccc12 Show InChI InChI=1S/C23H14Cl2N4O6S/c24-16-9-14(29-23(32)27-21(31)12-26-29)10-17(25)22(16)35-15-5-6-19(30)20(11-15)36(33,34)28-8-7-13-3-1-2-4-18(13)28/h1-12,30H,(H,27,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	0.230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibitory activity against [125I]-T3 binding to human TRbeta1 receptor				Bioorg Med Chem Lett 13: 379-82 (2003) BindingDB Entry DOI: 10.7270/Q26T0KZB
					More data for this Ligand-Target Pair
Thyroid hormone receptor beta (Homo sapiens (Human))	BDBM50123052 (2-[4-(3-{8-azaspiro[bicyclo[3.2.1]octane-3,2'-oxol...) Show SMILES Oc1ccc(Oc2c(Cl)cc(cc2Cl)-n2ncc(=O)[nH]c2=O)cc1S(=O)(=O)N1C2CCC1CC1(CCCO1)C2 |TLB:34:33:27:29.30,THB:24:27:33.38.32:29.30,37:33:27:29.30| Show InChI InChI=1S/C25H24Cl2N4O7S/c26-18-8-16(30-24(34)29-22(33)13-28-30)9-19(27)23(18)38-17-4-5-20(32)21(10-17)39(35,36)31-14-2-3-15(31)12-25(11-14)6-1-7-37-25/h4-5,8-10,13-15,32H,1-3,6-7,11-12H2,(H,29,33,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibitory activity against [125I]T3 binding to human TRbeta1 receptor				Bioorg Med Chem Lett 13: 379-82 (2003) BindingDB Entry DOI: 10.7270/Q26T0KZB
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 5 (Homo sapiens (Human))	BDBM50128931 (CHEMBL61880 | N-(9-Isobutyl-9H-carbazol-3-yl)-3-py...) Show SMILES CC(C)Cn1c2ccccc2c2cc(NC(=O)CCN3CCCC3)ccc12 Show InChI InChI=1S/C23H29N3O/c1-17(2)16-26-21-8-4-3-7-19(21)20-15-18(9-10-22(20)26)24-23(27)11-14-25-12-5-6-13-25/h3-4,7-10,15,17H,5-6,11-14,16H2,1-2H3,(H,24,27)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Binding affinity towards human neuropeptide Y receptor type 5 using 125[I]-PYY as radioligand				Bioorg Med Chem Lett 13: 1989-92 (2003) BindingDB Entry DOI: 10.7270/Q2057F9D
					More data for this Ligand-Target Pair
Thyroid hormone receptor beta (Homo sapiens (Human))	BDBM50123061 (2-[4-(3-{8-azaspiro[bicyclo[3.2.1]octane-3,2'-[1,3...) Show SMILES Oc1ccc(Oc2c(Cl)cc(cc2Cl)-n2ncc(=O)[nH]c2=O)cc1S(=O)(=O)N1C2CCC1CC1(C2)OCCO1 |THB:24:27:33.32.34:29.30| Show InChI InChI=1S/C24H22Cl2N4O8S/c25-17-7-15(29-23(33)28-21(32)12-27-29)8-18(26)22(17)38-16-3-4-19(31)20(9-16)39(34,35)30-13-1-2-14(30)11-24(10-13)36-5-6-37-24/h3-4,7-9,12-14,31H,1-2,5-6,10-11H2,(H,28,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.310	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibitory activity against [125I]-T3 binding to human TRbeta1 receptor				Bioorg Med Chem Lett 13: 379-82 (2003) BindingDB Entry DOI: 10.7270/Q26T0KZB
					More data for this Ligand-Target Pair
Growth hormone secretagogue receptor type 1 (Homo sapiens (Human))	BDBM50120502 (2-Amino-N-[(R)-2-(3a-benzyl-2-tert-butyl-3-oxo-2,3...) Show SMILES CC(C)(C)N1N=C2CCN(CC2(Cc2ccccc2)C1=O)C(=O)[C@@H](COCc1ccc(F)c(F)c1)NC(=O)C(C)(C)N |t:5| Show InChI InChI=1S/C31H39F2N5O4/c1-29(2,3)38-28(41)31(16-20-9-7-6-8-10-20)19-37(14-13-25(31)36-38)26(39)24(35-27(40)30(4,5)34)18-42-17-21-11-12-22(32)23(33)15-21/h6-12,15,24H,13-14,16-19,34H2,1-5H3,(H,35,40)/t24-,31?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.340	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research & Development Curated by ChEMBL					Assay Description In vitro binding affinity of the compound was determined against human type 1a growth hormone secretagogue receptor (hGHS-R1a), using [125I]-ghrelin ...				Bioorg Med Chem Lett 12: 3279-82 (2002) BindingDB Entry DOI: 10.7270/Q23F4NZZ
					More data for this Ligand-Target Pair
Thyroid hormone receptor beta (Homo sapiens (Human))	BDBM50123059 (2-{4-[3-(2-Aza-bicyclo[2.2.1]heptane-2-carbonyl)-4...) Show SMILES Oc1ccc(Oc2c(Cl)cc(cc2Cl)-n2ncc(=O)[nH]c2=O)cc1C(=O)N1CC2CCC1C2 Show InChI InChI=1S/C22H18Cl2N4O5/c23-16-6-13(28-22(32)26-19(30)9-25-28)7-17(24)20(16)33-14-3-4-18(29)15(8-14)21(31)27-10-11-1-2-12(27)5-11/h3-4,6-9,11-12,29H,1-2,5,10H2,(H,26,30,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.370	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibitory activity against [125I]-T3 binding to human TRbeta1 receptor				Bioorg Med Chem Lett 13: 379-82 (2003) BindingDB Entry DOI: 10.7270/Q26T0KZB
					More data for this Ligand-Target Pair
Thyroid hormone receptor beta (Homo sapiens (Human))	BDBM50123059 (2-{4-[3-(2-Aza-bicyclo[2.2.1]heptane-2-carbonyl)-4...) Show SMILES Oc1ccc(Oc2c(Cl)cc(cc2Cl)-n2ncc(=O)[nH]c2=O)cc1C(=O)N1CC2CCC1C2 Show InChI InChI=1S/C22H18Cl2N4O5/c23-16-6-13(28-22(32)26-19(30)9-25-28)7-17(24)20(16)33-14-3-4-18(29)15(8-14)21(31)27-10-11-1-2-12(27)5-11/h3-4,6-9,11-12,29H,1-2,5,10H2,(H,26,30,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.370	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibitory activity against [125I]-T3 binding to human TRbeta1 receptor				Bioorg Med Chem Lett 13: 379-82 (2003) BindingDB Entry DOI: 10.7270/Q26T0KZB
					More data for this Ligand-Target Pair
Thyroid hormone receptor beta (Homo sapiens (Human))	BDBM50123057 (CHEMBL124039 | N-Cyclobutyl-5-[2,6-dichloro-4-(3,5...) Show SMILES Oc1ccc(Oc2c(Cl)cc(cc2Cl)-n2ncc(=O)[nH]c2=O)cc1S(=O)(=O)NC1CCC1 Show InChI InChI=1S/C19H16Cl2N4O6S/c20-13-6-11(25-19(28)23-17(27)9-22-25)7-14(21)18(13)31-12-4-5-15(26)16(8-12)32(29,30)24-10-2-1-3-10/h4-10,24,26H,1-3H2,(H,23,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibitory activity against [125I]-T3 binding to human TRbeta1 receptor				Bioorg Med Chem Lett 13: 379-82 (2003) BindingDB Entry DOI: 10.7270/Q26T0KZB
					More data for this Ligand-Target Pair
Growth hormone secretagogue receptor type 1 (Homo sapiens (Human))	BDBM50120504 (2-Amino-N-[(R)-2-[3a-benzyl-3-oxo-2-(2,2,2-trifluo...) Show SMILES CC(C)(N)C(=O)N[C@H](COCc1ccc(F)c(F)c1)C(=O)N1CCC2=NN(CC(F)(F)F)C(=O)C2(Cc2ccccc2)C1 |t:25| Show InChI InChI=1S/C29H32F5N5O4/c1-27(2,35)25(41)36-22(15-43-14-19-8-9-20(30)21(31)12-19)24(40)38-11-10-23-28(16-38,13-18-6-4-3-5-7-18)26(42)39(37-23)17-29(32,33)34/h3-9,12,22H,10-11,13-17,35H2,1-2H3,(H,36,41)/t22-,28?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.450	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research & Development Curated by ChEMBL					Assay Description In vitro binding affinity of the compound was determined against human type 1a growth hormone secretagogue receptor (hGHS-R1a), using [125I]-ghrelin ...				Bioorg Med Chem Lett 12: 3279-82 (2002) BindingDB Entry DOI: 10.7270/Q23F4NZZ
					More data for this Ligand-Target Pair
Thyroid hormone receptor beta (Homo sapiens (Human))	BDBM50123056 (2-(4-(4-hydroxy-3-(piperidin-1-ylsulfonyl)phenoxy)...) Show SMILES Cc1cc(cc(C)c1Oc1ccc(O)c(c1)S(=O)(=O)N1CCCCC1)-n1ncc(=O)[nH]c1=O Show InChI InChI=1S/C22H24N4O6S/c1-14-10-16(26-22(29)24-20(28)13-23-26)11-15(2)21(14)32-17-6-7-18(27)19(12-17)33(30,31)25-8-4-3-5-9-25/h6-7,10-13,27H,3-5,8-9H2,1-2H3,(H,24,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.460	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibitory activity against [125I]-T3 binding to human TRbeta1 receptor				Bioorg Med Chem Lett 13: 379-82 (2003) BindingDB Entry DOI: 10.7270/Q26T0KZB
					More data for this Ligand-Target Pair				3D Structure (docked)
Thyroid hormone receptor beta (Homo sapiens (Human))	BDBM50123062 (CHEMBL340158 | N-Cyclohexyl-5-[2,6-dichloro-4-(3,5...) Show SMILES Oc1ccc(Oc2c(Cl)cc(cc2Cl)-n2ncc(=O)[nH]c2=O)cc1S(=O)(=O)NC1CCCCC1 Show InChI InChI=1S/C21H20Cl2N4O6S/c22-15-8-13(27-21(30)25-19(29)11-24-27)9-16(23)20(15)33-14-6-7-17(28)18(10-14)34(31,32)26-12-4-2-1-3-5-12/h6-12,26,28H,1-5H2,(H,25,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.460	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibitory activity against [125I]-T3 binding to human TRbeta1 receptor				Bioorg Med Chem Lett 13: 379-82 (2003) BindingDB Entry DOI: 10.7270/Q26T0KZB
					More data for this Ligand-Target Pair
Thyroid hormone receptor beta (Homo sapiens (Human))	BDBM50123059 (2-{4-[3-(2-Aza-bicyclo[2.2.1]heptane-2-carbonyl)-4...) Show SMILES Oc1ccc(Oc2c(Cl)cc(cc2Cl)-n2ncc(=O)[nH]c2=O)cc1C(=O)N1CC2CCC1C2 Show InChI InChI=1S/C22H18Cl2N4O5/c23-16-6-13(28-22(32)26-19(30)9-25-28)7-17(24)20(16)33-14-3-4-18(29)15(8-14)21(31)27-10-11-1-2-12(27)5-11/h3-4,6-9,11-12,29H,1-2,5,10H2,(H,26,30,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.590	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibitory activity against [125I]-T3 binding to human TRbeta1 receptor				Bioorg Med Chem Lett 13: 379-82 (2003) BindingDB Entry DOI: 10.7270/Q26T0KZB
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM29061 (CHEMBL201602 | pyrazolopyrimidinone-based antagoni...) Show SMILES Cc1nc2c(-c3ccc(Cl)cc3)n(nc2c(=O)n1CC(F)(F)F)-c1ccccc1Cl Show InChI InChI=1S/C20H13Cl2F3N4O/c1-11-26-16-17(19(30)28(11)10-20(23,24)25)27-29(15-5-3-2-4-14(15)22)18(16)12-6-8-13(21)9-7-12/h2-9H,10H2,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.600	-53.5	n/a	n/a	1	n/a	n/a	7.4	30
Pfizer					Assay Description IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibition c...				J Med Chem 52: 2652-5 (2009) Article DOI: 10.1021/jm900255t BindingDB Entry DOI: 10.7270/Q2F47MGD
					More data for this Ligand-Target Pair
Thyroid hormone receptor beta (Homo sapiens (Human))	BDBM50123049 (2-(3,5-dichloro-4-(4-hydroxy-3-(piperidine-1-carbo...) Show SMILES Oc1ccc(Oc2c(Cl)cc(cc2Cl)-n2ncc(=O)[nH]c2=O)cc1C(=O)N1CCCCC1 Show InChI InChI=1S/C21H18Cl2N4O5/c22-15-8-12(27-21(31)25-18(29)11-24-27)9-16(23)19(15)32-13-4-5-17(28)14(10-13)20(30)26-6-2-1-3-7-26/h4-5,8-11,28H,1-3,6-7H2,(H,25,29,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.630	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibitory activity against [125I]-T3 binding to human TRbeta1 receptor				Bioorg Med Chem Lett 13: 379-82 (2003) BindingDB Entry DOI: 10.7270/Q26T0KZB
					More data for this Ligand-Target Pair
Thyroid hormone receptor beta (Homo sapiens (Human))	BDBM50123050 (CHEMBL124318 | N-Cyclobutyl-5-[2,6-dichloro-4-(3,5...) Show SMILES Oc1ccc(Oc2c(Cl)cc(cc2Cl)-n2ncc(=O)[nH]c2=O)cc1C(=O)NC1CCC1 Show InChI InChI=1S/C20H16Cl2N4O5/c21-14-6-11(26-20(30)25-17(28)9-23-26)7-15(22)18(14)31-12-4-5-16(27)13(8-12)19(29)24-10-2-1-3-10/h4-10,27H,1-3H2,(H,24,29)(H,25,28,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.640	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibitory activity against [125I]-T3 binding to human TRbeta1 receptor				Bioorg Med Chem Lett 13: 379-82 (2003) BindingDB Entry DOI: 10.7270/Q26T0KZB
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM21278 (5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl...) Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 Show InChI InChI=1S/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.650	-53.3	n/a	n/a	n/a	n/a	n/a	7.4	30
Pfizer					Assay Description IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibition c...				J Med Chem 52: 234-7 (2009) Article DOI: 10.1021/jm8012932 BindingDB Entry DOI: 10.7270/Q2CN7276
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM29070 (lactam-based compound, 12i) Show SMILES CC(F)(F)CN1CCc2c(nn(c2-c2ccc(Cl)cc2)-c2ccccc2Cl)C1=O Show InChI InChI=1S/C21H17Cl2F2N3O/c1-21(24,25)12-27-11-10-15-18(20(27)29)26-28(17-5-3-2-4-16(17)23)19(15)13-6-8-14(22)9-7-13/h2-9H,10-12H2,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.700	-53.1	n/a	n/a	0.800	n/a	n/a	7.4	30
Pfizer					Assay Description IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibition c...				J Med Chem 52: 2652-5 (2009) Article DOI: 10.1021/jm900255t BindingDB Entry DOI: 10.7270/Q2F47MGD
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM27337 (1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)-9H-purin-...) Show SMILES CCNC1(CCN(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1)C(N)=O Show InChI InChI=1S/C25H25Cl2N7O/c1-2-31-25(24(28)35)11-13-33(14-12-25)22-20-23(30-15-29-22)34(17-9-7-16(26)8-10-17)21(32-20)18-5-3-4-6-19(18)27/h3-10,15,31H,2,11-14H2,1H3,(H2,28,35)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.700	-53.1	n/a	n/a	n/a	n/a	n/a	7.4	30
Pfizer					Assay Description IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibition c...				J Med Chem 52: 234-7 (2009) Article DOI: 10.1021/jm8012932 BindingDB Entry DOI: 10.7270/Q2CN7276
					More data for this Ligand-Target Pair
Thyroid hormone receptor beta (Homo sapiens (Human))	BDBM50123055 (2-(3,5-dichloro-4-(4-hydroxy-3-(morpholine-4-carbo...) Show SMILES Oc1ccc(Oc2c(Cl)cc(cc2Cl)-n2ncc(=O)[nH]c2=O)cc1C(=O)N1CCOCC1 Show InChI InChI=1S/C20H16Cl2N4O6/c21-14-7-11(26-20(30)24-17(28)10-23-26)8-15(22)18(14)32-12-1-2-16(27)13(9-12)19(29)25-3-5-31-6-4-25/h1-2,7-10,27H,3-6H2,(H,24,28,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.720	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibitory activity against [125I]-T3 binding to human TRbeta1 receptor				Bioorg Med Chem Lett 13: 379-82 (2003) BindingDB Entry DOI: 10.7270/Q26T0KZB
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 5 (Homo sapiens (Human))	BDBM50128927 (CHEMBL59680 | N-(9-Ethyl-9H-carbazol-3-yl)-3-morph...) Show SMILES CCn1c2ccccc2c2cc(NC(=O)CCN3CCOCC3)ccc12 Show InChI InChI=1S/C21H25N3O2/c1-2-24-19-6-4-3-5-17(19)18-15-16(7-8-20(18)24)22-21(25)9-10-23-11-13-26-14-12-23/h3-8,15H,2,9-14H2,1H3,(H,22,25)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.840	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Binding affinity towards human neuropeptide Y receptor type 5 using 125[I]-PYY as radioligand				Bioorg Med Chem Lett 13: 1989-92 (2003) BindingDB Entry DOI: 10.7270/Q2057F9D
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM21278 (5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl...) Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 Show InChI InChI=1S/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]SR141716A from rat brain CB1 receptor				Bioorg Med Chem Lett 19: 5351-4 (2009) Article DOI: 10.1016/j.bmcl.2009.07.130 BindingDB Entry DOI: 10.7270/Q2KP827S
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM21278 (5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl...) Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 Show InChI InChI=1S/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	0.900	-52.5	n/a	n/a	n/a	n/a	n/a	7.4	30
Pfizer					Assay Description IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibition c...				J Med Chem 52: 234-7 (2009) Article DOI: 10.1021/jm8012932 BindingDB Entry DOI: 10.7270/Q2CN7276
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM29075 (PF-514273) Show SMILES CC(F)(F)CN1CCOc2c(nn(c2-c2ccc(Cl)cc2)-c2ccccc2Cl)C1=O Show InChI InChI=1S/C21H17Cl2F2N3O2/c1-21(24,25)12-27-10-11-30-19-17(20(27)29)26-28(16-5-3-2-4-15(16)23)18(19)13-6-8-14(22)9-7-13/h2-9H,10-12H2,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	1	-52.2	n/a	n/a	0.820	n/a	n/a	7.4	30
Pfizer					Assay Description IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibition c...				J Med Chem 52: 2652-5 (2009) Article DOI: 10.1021/jm900255t BindingDB Entry DOI: 10.7270/Q2F47MGD
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50301747 (1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-methyl-3-(...) Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccccc1Cl)-c1cn(cn1)C(C)(C)c1ccccc1 Show InChI InChI=1S/C28H24Cl2N4/c1-19-26(24-17-33(18-31-24)28(2,3)21-9-5-4-6-10-21)32-34(25-12-8-7-11-23(25)30)27(19)20-13-15-22(29)16-14-20/h4-18H,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]SR141716A from rat brain CB1 receptor				Bioorg Med Chem Lett 19: 5351-4 (2009) Article DOI: 10.1016/j.bmcl.2009.07.130 BindingDB Entry DOI: 10.7270/Q2KP827S
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 5 (Homo sapiens (Human))	BDBM50123737 (3-{2-[6-(2-tert-Butoxy-ethoxy)-pyridin-3-yl]-3H-im...) Show SMILES CC(C)(C)OCCOc1ccc(cn1)-c1nc(c[nH]1)-c1cccc(c1)C#N Show InChI InChI=1S/C21H22N4O2/c1-21(2,3)27-10-9-26-19-8-7-17(13-23-19)20-24-14-18(25-20)16-6-4-5-15(11-16)12-22/h4-8,11,13-14H,9-10H2,1-3H3,(H,24,25)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Binding affinity of the compound to the human Neuropeptide Y receptor type 5 was determined using [125I]- [PYY] as radioligand				J Med Chem 46: 670-3 (2003) Article DOI: 10.1021/jm025584p BindingDB Entry DOI: 10.7270/Q2V987DS
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM29073 (ether-based lactam, 19b) Show SMILES CC(C)N1CCOc2c(nn(c2-c2ccc(Cl)cc2)-c2ccccc2Cl)C1=O Show InChI InChI=1S/C21H19Cl2N3O2/c1-13(2)25-11-12-28-20-18(21(25)27)24-26(17-6-4-3-5-16(17)23)19(20)14-7-9-15(22)10-8-14/h3-10,13H,11-12H2,1-2H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	1.30	-51.6	n/a	n/a	4.80	n/a	n/a	7.4	30
Pfizer					Assay Description IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibition c...				J Med Chem 52: 2652-5 (2009) Article DOI: 10.1021/jm900255t BindingDB Entry DOI: 10.7270/Q2F47MGD
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM29076 (ether-based lactam, 19e) Show SMILES CCC(F)(F)CN1CCOc2c(nn(c2-c2ccc(Cl)cc2)-c2ccccc2Cl)C1=O Show InChI InChI=1S/C22H19Cl2F2N3O2/c1-2-22(25,26)13-28-11-12-31-20-18(21(28)30)27-29(17-6-4-3-5-16(17)24)19(20)14-7-9-15(23)10-8-14/h3-10H,2,11-13H2,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	1.40	-51.4	n/a	n/a	0.700	n/a	n/a	7.4	30
Pfizer					Assay Description IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibition c...				J Med Chem 52: 2652-5 (2009) Article DOI: 10.1021/jm900255t BindingDB Entry DOI: 10.7270/Q2F47MGD
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 5 (Homo sapiens (Human))	BDBM50128943 (9-Ethyl-3-(3H-imidazo[4,5-b]pyridin-2-yl)-9H-carba...) Show SMILES CCn1c2ccccc2c2cc(ccc12)-c1nc2ncccc2[nH]1 Show InChI InChI=1S/C20H16N4/c1-2-24-17-8-4-3-6-14(17)15-12-13(9-10-18(15)24)19-22-16-7-5-11-21-20(16)23-19/h3-12H,2H2,1H3,(H,21,22,23)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Binding affinity towards human neuropeptide Y receptor type 5 using 125[I]-PYY as radioligand				Bioorg Med Chem Lett 13: 1989-92 (2003) BindingDB Entry DOI: 10.7270/Q2057F9D
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM21278 (5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl...) Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 Show InChI InChI=1S/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Antagonist activity at human CB1 receptor transfected in CHO-K1cells by GTPgamma[35S] binding assay				Bioorg Med Chem Lett 19: 5351-4 (2009) Article DOI: 10.1016/j.bmcl.2009.07.130 BindingDB Entry DOI: 10.7270/Q2KP827S
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 5 (Homo sapiens (Human))	BDBM50133761 (3-[5-(3-Trifluoromethyl-phenyl)-1H-imidazol-2-yl]-...) Show SMILES FC(F)(F)c1cccc(c1)-c1c[nH]c(n1)-c1cccnc1 Show InChI InChI=1S/C15H10F3N3/c16-15(17,18)12-5-1-3-10(7-12)13-9-20-14(21-13)11-4-2-6-19-8-11/h1-9H,(H,20,21)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Binding affinity towards human neuropeptide Y receptor type 5 using [125I]-PYY as radiogigand in baculovirus-infected Sf9 cells				Bioorg Med Chem Lett 13: 3593-6 (2003) BindingDB Entry DOI: 10.7270/Q2DF6QKD
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 5 (Rat 6B)	BDBM50123737 (3-{2-[6-(2-tert-Butoxy-ethoxy)-pyridin-3-yl]-3H-im...) Show SMILES CC(C)(C)OCCOc1ccc(cn1)-c1nc(c[nH]1)-c1cccc(c1)C#N Show InChI InChI=1S/C21H22N4O2/c1-21(2,3)27-10-9-26-19-8-7-17(13-23-19)20-24-14-18(25-20)16-6-4-5-15(11-16)12-22/h4-8,11,13-14H,9-10H2,1-3H3,(H,24,25)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Binding affinity of the compound to the rat Neuropeptide Y receptor type 5 was determined using [125I]- [Leu31,Pro34]PYY as radioligand				J Med Chem 46: 670-3 (2003) Article DOI: 10.1021/jm025584p BindingDB Entry DOI: 10.7270/Q2V987DS
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM29069 (lactam-based compound, 12h) Show SMILES FC(F)(F)CN1CCc2c(nn(c2-c2ccc(Cl)cc2)-c2ccccc2Cl)C1=O Show InChI InChI=1S/C20H14Cl2F3N3O/c21-13-7-5-12(6-8-13)18-14-9-10-27(11-20(23,24)25)19(29)17(14)26-28(18)16-4-2-1-3-15(16)22/h1-8H,9-11H2	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.70	-50.9	n/a	n/a	3.10	n/a	n/a	7.4	30
Pfizer					Assay Description IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibition c...				J Med Chem 52: 2652-5 (2009) Article DOI: 10.1021/jm900255t BindingDB Entry DOI: 10.7270/Q2F47MGD
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM21278 (5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl...) Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 Show InChI InChI=1S/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	1.80	-50.7	n/a	n/a	1.60	n/a	n/a	7.4	30
Pfizer					Assay Description IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibition c...				J Med Chem 52: 2652-5 (2009) Article DOI: 10.1021/jm900255t BindingDB Entry DOI: 10.7270/Q2F47MGD
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50301739 (5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl...) Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)-c1cn(cn1)C(C)(C)c1ccccc1 Show InChI InChI=1S/C28H23Cl3N4/c1-18-26(24-16-34(17-32-24)28(2,3)20-7-5-4-6-8-20)33-35(25-14-13-22(30)15-23(25)31)27(18)19-9-11-21(29)12-10-19/h4-17H,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt 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
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]SR141716A from rat brain CB1 receptor				Bioorg Med Chem Lett 19: 5351-4 (2009) Article DOI: 10.1016/j.bmcl.2009.07.130 BindingDB Entry DOI: 10.7270/Q2KP827S
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM29074 (ether-based lactam, 19c) Show SMILES FC(F)(F)CN1CCOc2c(nn(c2-c2ccc(Cl)cc2)-c2ccccc2Cl)C1=O Show InChI InChI=1S/C20H14Cl2F3N3O2/c21-13-7-5-12(6-8-13)17-18-16(26-28(17)15-4-2-1-3-14(15)22)19(29)27(9-10-30-18)11-20(23,24)25/h1-8H,9-11H2	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	1.90	-50.6	n/a	n/a	1.5	n/a	n/a	7.4	30
Pfizer					Assay Description IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibition c...				J Med Chem 52: 2652-5 (2009) Article DOI: 10.1021/jm900255t BindingDB Entry DOI: 10.7270/Q2F47MGD
					More data for this Ligand-Target Pair
Thyroid hormone receptor beta (Homo sapiens (Human))	BDBM50123060 (2-{3-Chloro-4-[4-hydroxy-3-(piperidine-1-carbonyl)...) Show SMILES Cc1cc(cc(Cl)c1Oc1ccc(O)c(c1)C(=O)N1CCCCC1)-n1ncc(=O)[nH]c1=O Show InChI InChI=1S/C22H21ClN4O5/c1-13-9-14(27-22(31)25-19(29)12-24-27)10-17(23)20(13)32-15-5-6-18(28)16(11-15)21(30)26-7-3-2-4-8-26/h5-6,9-12,28H,2-4,7-8H2,1H3,(H,25,29,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibitory activity against [125I]-T3 binding to human TRbeta1 receptor				Bioorg Med Chem Lett 13: 379-82 (2003) BindingDB Entry DOI: 10.7270/Q26T0KZB
					More data for this Ligand-Target Pair
Thyroid hormone receptor beta (Homo sapiens (Human))	BDBM50123053 (2-[3,5-Dimethyl-4-(3-methyl-4-methylsulfanyl-pheno...) Show SMILES CSc1ccc(Oc2c(C)cc(cc2C)-n2ncc(=O)[nH]c2=O)cc1C Show InChI InChI=1S/C19H19N3O3S/c1-11-9-15(5-6-16(11)26-4)25-18-12(2)7-14(8-13(18)3)22-19(24)21-17(23)10-20-22/h5-10H,1-4H3,(H,21,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibitory activity against [125I]-T3 binding to human TRbeta1 receptor				Bioorg Med Chem Lett 13: 379-82 (2003) BindingDB Entry DOI: 10.7270/Q26T0KZB
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM27341 (8-(2-chlorophenyl)-9-(4-chlorophenyl)-6-(piperidin...) Show SMILES Clc1ccc(cc1)-n1c(nc2c(ncnc12)N1CCCCC1)-c1ccccc1Cl Show InChI InChI=1S/C22H19Cl2N5/c23-15-8-10-16(11-9-15)29-20(17-6-2-3-7-18(17)24)27-19-21(25-14-26-22(19)29)28-12-4-1-5-13-28/h2-3,6-11,14H,1,4-5,12-13H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.10	-50.4	n/a	n/a	n/a	n/a	n/a	7.4	30
Pfizer					Assay Description IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibition c...				J Med Chem 52: 234-7 (2009) Article DOI: 10.1021/jm8012932 BindingDB Entry DOI: 10.7270/Q2CN7276
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM27341 (8-(2-chlorophenyl)-9-(4-chlorophenyl)-6-(piperidin...) Show SMILES Clc1ccc(cc1)-n1c(nc2c(ncnc12)N1CCCCC1)-c1ccccc1Cl Show InChI InChI=1S/C22H19Cl2N5/c23-15-8-10-16(11-9-15)29-20(17-6-2-3-7-18(17)24)27-19-21(25-14-26-22(19)29)28-12-4-1-5-13-28/h2-3,6-11,14H,1,4-5,12-13H2	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.30	-50.1	n/a	n/a	n/a	n/a	n/a	7.4	30
Pfizer					Assay Description IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibition c...				J Med Chem 52: 234-7 (2009) Article DOI: 10.1021/jm8012932 BindingDB Entry DOI: 10.7270/Q2CN7276
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM29064 (lactam-based compound, 12c) Show SMILES CC(C)N1CCc2c(nn(c2-c2ccc(Cl)cc2)-c2ccccc2Cl)C1=O Show InChI InChI=1S/C21H19Cl2N3O/c1-13(2)25-12-11-16-19(21(25)27)24-26(18-6-4-3-5-17(18)23)20(16)14-7-9-15(22)10-8-14/h3-10,13H,11-12H2,1-2H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	2.5	-49.9	n/a	n/a	5.5	n/a	n/a	7.4	30
Pfizer					Assay Description IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibition c...				J Med Chem 52: 2652-5 (2009) Article DOI: 10.1021/jm900255t BindingDB Entry DOI: 10.7270/Q2F47MGD
					More data for this Ligand-Target Pair

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