Compile Data Set for Download or QSAR

Found 24 hits Enz. Inhib. hit(s) with all data for entry = 6160   

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
Orexin receptor type 2 (Homo sapiens (Human))	BDBM112665 (US8623863, 2-8) Show SMILES CC1CCCC(COc2ccc(F)c(C)c2)CN1C(=O)c1cc(C)ccc1-n1nccn1 Show InChI InChI=1S/C25H29FN4O2/c1-17-7-10-24(30-27-11-12-28-30)22(13-17)25(31)29-15-20(6-4-5-19(29)3)16-32-21-8-9-23(26)18(2)14-21/h7-14,19-20H,4-6,15-16H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	3.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Compound potency can be assessed by a radioligand binding assay (described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430) in which ...				US Patent US8623863 (2014) BindingDB Entry DOI: 10.7270/Q2D21W8R
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM112672 (US8623863, 3-5) Show SMILES CC1CCCC(COc2ccc(F)cn2)CN1C(=O)c1cc(C)ccc1-c1nccs1 Show InChI InChI=1S/C24H26FN3O2S/c1-16-6-8-20(23-26-10-11-31-23)21(12-16)24(29)28-14-18(5-3-4-17(28)2)15-30-22-9-7-19(25)13-27-22/h6-13,17-18H,3-5,14-15H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	3.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Compound potency can be assessed by a radioligand binding assay (described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430) in which ...				US Patent US8623863 (2014) BindingDB Entry DOI: 10.7270/Q2D21W8R
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM112669 (US8623863, 3-2) Show SMILES CC1CCCC(COc2ccc(F)c(C)c2)CN1C(=O)c1cc(C)ccc1-c1nccs1 Show InChI InChI=1S/C26H29FN2O2S/c1-17-7-9-22(25-28-11-12-32-25)23(13-17)26(30)29-15-20(6-4-5-19(29)3)16-31-21-8-10-24(27)18(2)14-21/h7-14,19-20H,4-6,15-16H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	4.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Compound potency can be assessed by a radioligand binding assay (described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430) in which ...				US Patent US8623863 (2014) BindingDB Entry DOI: 10.7270/Q2D21W8R
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Rattus norvegicus (Rat))	BDBM112674 (US8623863, 3-8) Show SMILES CC1COCC(COc2ccc(F)c(C)c2)CN1C(=O)c1cc(C)ccc1-n1nccn1 Show InChI InChI=1S/C24H27FN4O3/c1-16-4-7-23(29-26-8-9-27-29)21(10-16)24(30)28-12-19(14-31-13-18(28)3)15-32-20-5-6-22(25)17(2)11-20/h4-11,18-19H,12-15H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	5.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Compound potency can be assessed by a radioligand binding assay (described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430) in which ...				US Patent US8623863 (2014) BindingDB Entry DOI: 10.7270/Q2D21W8R
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM112664 (US8623863, 1-8) Show SMILES Cc1ccc(c(c1)C(=O)N1CCCCC(COc2ccc(F)c(C)c2)C1)-n1nccn1 Show InChI InChI=1S/C24H27FN4O2/c1-17-6-9-23(29-26-10-11-27-29)21(13-17)24(30)28-12-4-3-5-19(15-28)16-31-20-7-8-22(25)18(2)14-20/h6-11,13-14,19H,3-5,12,15-16H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	7.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Compound potency can be assessed by a radioligand binding assay (described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430) in which ...				US Patent US8623863 (2014) BindingDB Entry DOI: 10.7270/Q2D21W8R
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Rattus norvegicus (Rat))	BDBM112665 (US8623863, 2-8) Show SMILES CC1CCCC(COc2ccc(F)c(C)c2)CN1C(=O)c1cc(C)ccc1-n1nccn1 Show InChI InChI=1S/C25H29FN4O2/c1-17-7-10-24(30-27-11-12-28-30)22(13-17)25(31)29-15-20(6-4-5-19(29)3)16-32-21-8-9-23(26)18(2)14-21/h7-14,19-20H,4-6,15-16H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	8.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Compound potency can be assessed by a radioligand binding assay (described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430) in which ...				US Patent US8623863 (2014) BindingDB Entry DOI: 10.7270/Q2D21W8R
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM112674 (US8623863, 3-8) Show SMILES CC1COCC(COc2ccc(F)c(C)c2)CN1C(=O)c1cc(C)ccc1-n1nccn1 Show InChI InChI=1S/C24H27FN4O3/c1-16-4-7-23(29-26-8-9-27-29)21(10-16)24(30)28-12-19(14-31-13-18(28)3)15-32-20-5-6-22(25)17(2)11-20/h4-11,18-19H,12-15H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	8.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Compound potency can be assessed by a radioligand binding assay (described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430) in which ...				US Patent US8623863 (2014) BindingDB Entry DOI: 10.7270/Q2D21W8R
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM112667 (US8623863, 2-10) Show SMILES CC1CCCC(COc2ccc(F)cn2)CN1C(=O)c1cc(C)ccc1-n1nccn1 Show InChI InChI=1S/C23H26FN5O2/c1-16-6-8-21(29-26-10-11-27-29)20(12-16)23(30)28-14-18(5-3-4-17(28)2)15-31-22-9-7-19(24)13-25-22/h6-13,17-18H,3-5,14-15H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	9.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Compound potency can be assessed by a radioligand binding assay (described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430) in which ...				US Patent US8623863 (2014) BindingDB Entry DOI: 10.7270/Q2D21W8R
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM112666 (US8623863, 2-9) Show SMILES CC1CCCC(COc2ccc(F)c(C)c2)CN1C(=O)c1ccccc1-n1nccn1 Show InChI InChI=1S/C24H27FN4O2/c1-17-14-20(10-11-22(17)25)31-16-19-7-5-6-18(2)28(15-19)24(30)21-8-3-4-9-23(21)29-26-12-13-27-29/h3-4,8-14,18-19H,5-7,15-16H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Compound potency can be assessed by a radioligand binding assay (described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430) in which ...				US Patent US8623863 (2014) BindingDB Entry DOI: 10.7270/Q2D21W8R
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM112670 (US8623863, 3-3) Show SMILES CC1CCCC(COc2ccc(F)c(C)c2)CN1C(=O)c1cc(C)ccc1-c1ncccn1 Show InChI InChI=1S/C27H30FN3O2/c1-18-8-10-23(26-29-12-5-13-30-26)24(14-18)27(32)31-16-21(7-4-6-20(31)3)17-33-22-9-11-25(28)19(2)15-22/h5,8-15,20-21H,4,6-7,16-17H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Compound potency can be assessed by a radioligand binding assay (described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430) in which ...				US Patent US8623863 (2014) BindingDB Entry DOI: 10.7270/Q2D21W8R
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM112675 (US8623863, 4-9) Show SMILES CC1COCC(COc2ccc(F)c(C)c2)CN1C(=O)c1ccccc1-n1nccn1 Show InChI InChI=1S/C23H25FN4O3/c1-16-11-19(7-8-21(16)24)31-15-18-12-27(17(2)13-30-14-18)23(29)20-5-3-4-6-22(20)28-25-9-10-26-28/h3-11,17-18H,12-15H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Compound potency can be assessed by a radioligand binding assay (described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430) in which ...				US Patent US8623863 (2014) BindingDB Entry DOI: 10.7270/Q2D21W8R
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM112671 (US8623863, 3-4) Show SMILES CC1CCCC(COc2ccc(F)cn2)CN1C(=O)c1cc(C)ccc1-c1ncco1 Show InChI InChI=1S/C24H26FN3O3/c1-16-6-8-20(23-26-10-11-30-23)21(12-16)24(29)28-14-18(5-3-4-17(28)2)15-31-22-9-7-19(25)13-27-22/h6-13,17-18H,3-5,14-15H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Compound potency can be assessed by a radioligand binding assay (described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430) in which ...				US Patent US8623863 (2014) BindingDB Entry DOI: 10.7270/Q2D21W8R
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM112673 (US8623863, 3-6) Show SMILES CC1CCCC(COc2ccc(F)cn2)CN1C(=O)c1cc(C)ccc1-c1ncccn1 Show InChI InChI=1S/C25H27FN4O2/c1-17-7-9-21(24-27-11-4-12-28-24)22(13-17)25(31)30-15-19(6-3-5-18(30)2)16-32-23-10-8-20(26)14-29-23/h4,7-14,18-19H,3,5-6,15-16H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Compound potency can be assessed by a radioligand binding assay (described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430) in which ...				US Patent US8623863 (2014) BindingDB Entry DOI: 10.7270/Q2D21W8R
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Rattus norvegicus (Rat))	BDBM112664 (US8623863, 1-8) Show SMILES Cc1ccc(c(c1)C(=O)N1CCCCC(COc2ccc(F)c(C)c2)C1)-n1nccn1 Show InChI InChI=1S/C24H27FN4O2/c1-17-6-9-23(29-26-10-11-27-29)21(13-17)24(30)28-12-4-3-5-19(15-28)16-31-20-7-8-22(25)18(2)14-20/h6-11,13-14,19H,3-5,12,15-16H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Compound potency can be assessed by a radioligand binding assay (described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430) in which ...				US Patent US8623863 (2014) BindingDB Entry DOI: 10.7270/Q2D21W8R
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM112668 (US8623863, 2-11) Show SMILES CC1CCCC(COc2ccc(F)cn2)CN1C(=O)c1ccccc1-n1nccn1 Show InChI InChI=1S/C22H24FN5O2/c1-16-5-4-6-17(15-30-21-10-9-18(23)13-24-21)14-27(16)22(29)19-7-2-3-8-20(19)28-25-11-12-26-28/h2-3,7-13,16-17H,4-6,14-15H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Compound potency can be assessed by a radioligand binding assay (described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430) in which ...				US Patent US8623863 (2014) BindingDB Entry DOI: 10.7270/Q2D21W8R
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Rattus norvegicus (Rat))	BDBM112669 (US8623863, 3-2) Show SMILES CC1CCCC(COc2ccc(F)c(C)c2)CN1C(=O)c1cc(C)ccc1-c1nccs1 Show InChI InChI=1S/C26H29FN2O2S/c1-17-7-9-22(25-28-11-12-32-25)23(13-17)26(30)29-15-20(6-4-5-19(29)3)16-31-21-8-10-24(27)18(2)14-21/h7-14,19-20H,4-6,15-16H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	29	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Compound potency can be assessed by a radioligand binding assay (described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430) in which ...				US Patent US8623863 (2014) BindingDB Entry DOI: 10.7270/Q2D21W8R
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Rattus norvegicus (Rat))	BDBM112675 (US8623863, 4-9) Show SMILES CC1COCC(COc2ccc(F)c(C)c2)CN1C(=O)c1ccccc1-n1nccn1 Show InChI InChI=1S/C23H25FN4O3/c1-16-11-19(7-8-21(16)24)31-15-18-12-27(17(2)13-30-14-18)23(29)20-5-3-4-6-22(20)28-25-9-10-26-28/h3-11,17-18H,12-15H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	39	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Compound potency can be assessed by a radioligand binding assay (described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430) in which ...				US Patent US8623863 (2014) BindingDB Entry DOI: 10.7270/Q2D21W8R
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Rattus norvegicus (Rat))	BDBM112670 (US8623863, 3-3) Show SMILES CC1CCCC(COc2ccc(F)c(C)c2)CN1C(=O)c1cc(C)ccc1-c1ncccn1 Show InChI InChI=1S/C27H30FN3O2/c1-18-8-10-23(26-29-12-5-13-30-26)24(14-18)27(32)31-16-21(7-4-6-20(31)3)17-33-22-9-11-25(28)19(2)15-22/h5,8-15,20-21H,4,6-7,16-17H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	42	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Compound potency can be assessed by a radioligand binding assay (described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430) in which ...				US Patent US8623863 (2014) BindingDB Entry DOI: 10.7270/Q2D21W8R
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Rattus norvegicus (Rat))	BDBM112666 (US8623863, 2-9) Show SMILES CC1CCCC(COc2ccc(F)c(C)c2)CN1C(=O)c1ccccc1-n1nccn1 Show InChI InChI=1S/C24H27FN4O2/c1-17-14-20(10-11-22(17)25)31-16-19-7-5-6-18(2)28(15-19)24(30)21-8-3-4-9-23(21)29-26-12-13-27-29/h3-4,8-14,18-19H,5-7,15-16H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Compound potency can be assessed by a radioligand binding assay (described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430) in which ...				US Patent US8623863 (2014) BindingDB Entry DOI: 10.7270/Q2D21W8R
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Rattus norvegicus (Rat))	BDBM112672 (US8623863, 3-5) Show SMILES CC1CCCC(COc2ccc(F)cn2)CN1C(=O)c1cc(C)ccc1-c1nccs1 Show InChI InChI=1S/C24H26FN3O2S/c1-16-6-8-20(23-26-10-11-31-23)21(12-16)24(29)28-14-18(5-3-4-17(28)2)15-30-22-9-7-19(25)13-27-22/h6-13,17-18H,3-5,14-15H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	73	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Compound potency can be assessed by a radioligand binding assay (described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430) in which ...				US Patent US8623863 (2014) BindingDB Entry DOI: 10.7270/Q2D21W8R
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Rattus norvegicus (Rat))	BDBM112671 (US8623863, 3-4) Show SMILES CC1CCCC(COc2ccc(F)cn2)CN1C(=O)c1cc(C)ccc1-c1ncco1 Show InChI InChI=1S/C24H26FN3O3/c1-16-6-8-20(23-26-10-11-30-23)21(12-16)24(29)28-14-18(5-3-4-17(28)2)15-31-22-9-7-19(25)13-27-22/h6-13,17-18H,3-5,14-15H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Compound potency can be assessed by a radioligand binding assay (described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430) in which ...				US Patent US8623863 (2014) BindingDB Entry DOI: 10.7270/Q2D21W8R
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Rattus norvegicus (Rat))	BDBM112667 (US8623863, 2-10) Show SMILES CC1CCCC(COc2ccc(F)cn2)CN1C(=O)c1cc(C)ccc1-n1nccn1 Show InChI InChI=1S/C23H26FN5O2/c1-16-6-8-21(29-26-10-11-27-29)20(12-16)23(30)28-14-18(5-3-4-17(28)2)15-31-22-9-7-19(24)13-25-22/h6-13,17-18H,3-5,14-15H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Compound potency can be assessed by a radioligand binding assay (described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430) in which ...				US Patent US8623863 (2014) BindingDB Entry DOI: 10.7270/Q2D21W8R
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Rattus norvegicus (Rat))	BDBM112668 (US8623863, 2-11) Show SMILES CC1CCCC(COc2ccc(F)cn2)CN1C(=O)c1ccccc1-n1nccn1 Show InChI InChI=1S/C22H24FN5O2/c1-16-5-4-6-17(15-30-21-10-9-18(23)13-24-21)14-27(16)22(29)19-7-2-3-8-20(19)28-25-11-12-26-28/h2-3,7-13,16-17H,4-6,14-15H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Compound potency can be assessed by a radioligand binding assay (described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430) in which ...				US Patent US8623863 (2014) BindingDB Entry DOI: 10.7270/Q2D21W8R
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Rattus norvegicus (Rat))	BDBM112673 (US8623863, 3-6) Show SMILES CC1CCCC(COc2ccc(F)cn2)CN1C(=O)c1cc(C)ccc1-c1ncccn1 Show InChI InChI=1S/C25H27FN4O2/c1-17-7-9-21(24-27-11-4-12-28-24)22(13-17)25(31)30-15-19(6-3-5-18(30)2)16-32-23-10-8-20(26)14-29-23/h4,7-14,18-19H,3,5-6,15-16H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	310	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Compound potency can be assessed by a radioligand binding assay (described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430) in which ...				US Patent US8623863 (2014) BindingDB Entry DOI: 10.7270/Q2D21W8R
					More data for this Ligand-Target Pair