Compile Data Set for Download or QSAR

Found 104 hits Enz. Inhib. hit(s) with all data for entry = 856   

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))	BDBM294359 (Methyl 4-cyano-2-(((3R,6R)-1-(2-cyclobutylbenzoyl)...) Show SMILES COC(=O)c1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2ccccc2C2CCC2)nccc1C#N Show InChI InChI=1S/C25H27N3O4/c1-16-10-11-19(32-23-22(25(30)31-2)18(14-26)12-13-27-23)15-28(16)24(29)21-9-4-3-8-20(21)17-6-5-7-17/h3-4,8-9,12-13,16-17,19H,5-7,10-11,15H2,1-2H3/t16-,19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP. US Patent					Assay Description Described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430.				US Patent US9586950 (2017) BindingDB Entry DOI: 10.7270/Q2GX4DKC
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM294352 (US9586950, 19 | methyl 4-cyano-2-{[(3R,6R)-6- meth...) Show SMILES COC(=O)c1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2c(C)cccc2-n2nccn2)nccc1C#N Show InChI InChI=1S/C24H24N6O4/c1-15-5-4-6-19(30-27-11-12-28-30)20(15)23(31)29-14-18(8-7-16(29)2)34-22-21(24(32)33-3)17(13-25)9-10-26-22/h4-6,9-12,16,18H,7-8,14H2,1-3H3/t16-,18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP. US Patent					Assay Description Described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430.				US Patent US9586950 (2017) BindingDB Entry DOI: 10.7270/Q2GX4DKC
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM294339 (US9586950, 7 | methyl 4-cyano-2-{[(3R,6R)-1-{[2- f...) Show SMILES COC(=O)c1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2c(F)cccc2-n2nccn2)nccc1C#N Show InChI InChI=1S/C23H21FN6O4/c1-14-6-7-16(34-21-19(23(32)33-2)15(12-25)8-9-26-21)13-29(14)22(31)20-17(24)4-3-5-18(20)30-27-10-11-28-30/h3-5,8-11,14,16H,6-7,13H2,1-2H3/t14-,16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.330	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP. US Patent					Assay Description Described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430.				US Patent US9586950 (2017) BindingDB Entry DOI: 10.7270/Q2GX4DKC
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM294333 (US9586950, 2) Show SMILES COC(=O)c1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2ccccc2-c2nc(C)no2)nccc1C#N Show InChI InChI=1S/C24H23N5O5/c1-14-8-9-17(33-22-20(24(31)32-3)16(12-25)10-11-26-22)13-29(14)23(30)19-7-5-4-6-18(19)21-27-15(2)28-34-21/h4-7,10-11,14,17H,8-9,13H2,1-3H3/t14-,17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.370	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP. US Patent					Assay Description Described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430.				US Patent US9586950 (2017) BindingDB Entry DOI: 10.7270/Q2GX4DKC
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM294338 (US9586950, 6 | methyl 4-cyano-2-{[(3R,6R)-1-{[5- f...) Show SMILES COC(=O)c1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2cc(F)ccc2-n2nccn2)nccc1C#N Show InChI InChI=1S/C23H21FN6O4/c1-14-3-5-17(34-21-20(23(32)33-2)15(12-25)7-8-26-21)13-29(14)22(31)18-11-16(24)4-6-19(18)30-27-9-10-28-30/h4,6-11,14,17H,3,5,13H2,1-2H3/t14-,17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.420	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP. US Patent					Assay Description Described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430.				US Patent US9586950 (2017) BindingDB Entry DOI: 10.7270/Q2GX4DKC
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM294357 (US9586950, 24 | methyl 4-cyano-2-({(3R,6R)-1-[(2- ...) Show SMILES COC(=O)c1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2c(F)cccc2-c2ncccn2)nccc1C#N Show InChI InChI=1S/C25H22FN5O4/c1-15-7-8-17(35-23-20(25(33)34-2)16(13-27)9-12-30-23)14-31(15)24(32)21-18(5-3-6-19(21)26)22-28-10-4-11-29-22/h3-6,9-12,15,17H,7-8,14H2,1-2H3/t15-,17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.420	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP. US Patent					Assay Description Described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430.				US Patent US9586950 (2017) BindingDB Entry DOI: 10.7270/Q2GX4DKC
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM294336 (US9586950, 4 | methyl 4-cyano-2-{[(3R,6R)-1-{[3- f...) Show SMILES COC(=O)c1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2cccc(F)c2-n2nccn2)nccc1C#N Show InChI InChI=1S/C23H21FN6O4/c1-14-6-7-16(34-21-19(23(32)33-2)15(12-25)8-9-26-21)13-29(14)22(31)17-4-3-5-18(24)20(17)30-27-10-11-28-30/h3-5,8-11,14,16H,6-7,13H2,1-2H3/t14-,16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.440	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP. US Patent					Assay Description Described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430.				US Patent US9586950 (2017) BindingDB Entry DOI: 10.7270/Q2GX4DKC
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM294340 (US9586950, 8 | methyl 4-cyano-2-{[(3R,6R)-1-{[5- f...) Show SMILES COC(=O)c1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2cc(F)ccc2-c2nc(C)no2)nccc1C#N Show InChI InChI=1S/C24H22FN5O5/c1-13-4-6-17(34-22-20(24(32)33-3)15(11-26)8-9-27-22)12-30(13)23(31)19-10-16(25)5-7-18(19)21-28-14(2)29-35-21/h5,7-10,13,17H,4,6,12H2,1-3H3/t13-,17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.440	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP. US Patent					Assay Description Described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430.				US Patent US9586950 (2017) BindingDB Entry DOI: 10.7270/Q2GX4DKC
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM294306 (US9586950, 1) Show SMILES COC(=O)c1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2ccccc2-n2nccn2)nccc1C#N Show InChI InChI=1S/C23H22N6O4/c1-15-7-8-17(33-21-20(23(31)32-2)16(13-24)9-10-25-21)14-28(15)22(30)18-5-3-4-6-19(18)29-26-11-12-27-29/h3-6,9-12,15,17H,7-8,14H2,1-2H3/t15-,17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.460	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP. US Patent					Assay Description Described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430.				US Patent US9586950 (2017) BindingDB Entry DOI: 10.7270/Q2GX4DKC
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM294356 (US9586950, 23 | methyl 4-cyano-2-({(3R,6R)-1-[(5- ...) Show SMILES COC(=O)c1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2cc(F)ccc2-c2ncccn2)nccc1C#N Show InChI InChI=1S/C25H22FN5O4/c1-15-4-6-18(35-23-21(25(33)34-2)16(13-27)8-11-30-23)14-31(15)24(32)20-12-17(26)5-7-19(20)22-28-9-3-10-29-22/h3,5,7-12,15,18H,4,6,14H2,1-2H3/t15-,18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.470	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP. US Patent					Assay Description Described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430.				US Patent US9586950 (2017) BindingDB Entry DOI: 10.7270/Q2GX4DKC
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM294351 (US9586950, 18 | methyl 4-cyano-2-{[(3R,6R)-6- meth...) Show SMILES COC(=O)c1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2cc(C)ccc2-n2nccn2)nccc1C#N Show InChI InChI=1S/C24H24N6O4/c1-15-4-7-20(30-27-10-11-28-30)19(12-15)23(31)29-14-18(6-5-16(29)2)34-22-21(24(32)33-3)17(13-25)8-9-26-22/h4,7-12,16,18H,5-6,14H2,1-3H3/t16-,18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.480	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP. US Patent					Assay Description Described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430.				US Patent US9586950 (2017) BindingDB Entry DOI: 10.7270/Q2GX4DKC
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM294343 (US9586950, 11 | methyl 4-cyano-2-{[(3R,6R)-1-{[3- ...) Show SMILES COC(=O)c1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2cccc(F)c2-c2noc(C)n2)nccc1C#N Show InChI InChI=1S/C24H22FN5O5/c1-13-7-8-16(34-22-19(24(32)33-3)15(11-26)9-10-27-22)12-30(13)23(31)17-5-4-6-18(25)20(17)21-28-14(2)35-29-21/h4-6,9-10,13,16H,7-8,12H2,1-3H3/t13-,16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP. US Patent					Assay Description Described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430.				US Patent US9586950 (2017) BindingDB Entry DOI: 10.7270/Q2GX4DKC
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM294345 (US9586950, 13 | methyl 4-cyano-2-{[(3R,6R)-1-{[5- ...) Show SMILES COC(=O)c1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2cc(F)ccc2-c2noc(C)n2)nccc1C#N Show InChI InChI=1S/C24H22FN5O5/c1-13-4-6-17(34-22-20(24(32)33-3)15(11-26)8-9-27-22)12-30(13)23(31)19-10-16(25)5-7-18(19)21-28-14(2)35-29-21/h5,7-10,13,17H,4,6,12H2,1-3H3/t13-,17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP. US Patent					Assay Description Described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430.				US Patent US9586950 (2017) BindingDB Entry DOI: 10.7270/Q2GX4DKC
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM294348 (US9586950, 16 | methyl 4-cyano-2-{[(3R,6R)-6- meth...) Show SMILES COC(=O)c1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2cccc(C)c2-n2nccn2)nccc1C#N Show InChI InChI=1S/C24H24N6O4/c1-15-5-4-6-19(21(15)30-27-11-12-28-30)23(31)29-14-18(8-7-16(29)2)34-22-20(24(32)33-3)17(13-25)9-10-26-22/h4-6,9-12,16,18H,7-8,14H2,1-3H3/t16-,18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.520	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP. US Patent					Assay Description Described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430.				US Patent US9586950 (2017) BindingDB Entry DOI: 10.7270/Q2GX4DKC
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM294342 (US9586950, 10 | methyl 4-cyano-2-{[(3R,6R)-6- meth...) Show SMILES COC(=O)c1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2ccccc2-c2noc(C)n2)nccc1C#N Show InChI InChI=1S/C24H23N5O5/c1-14-8-9-17(33-22-20(24(31)32-3)16(12-25)10-11-26-22)13-29(14)23(30)19-7-5-4-6-18(19)21-27-15(2)34-28-21/h4-7,10-11,14,17H,8-9,13H2,1-3H3/t14-,17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.530	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP. US Patent					Assay Description Described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430.				US Patent US9586950 (2017) BindingDB Entry DOI: 10.7270/Q2GX4DKC
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM294353 (Methyl 4-cyano-2-({(3R,6-methyl-1-[(2-pyrimidin-2-...) Show SMILES COC(=O)c1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2ccccc2-c2ncccn2)nccc1C#N Show InChI InChI=1S/C25H23N5O4/c1-16-8-9-18(34-23-21(25(32)33-2)17(14-26)10-13-29-23)15-30(16)24(31)20-7-4-3-6-19(20)22-27-11-5-12-28-22/h3-7,10-13,16,18H,8-9,15H2,1-2H3/t16-,18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.540	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP. US Patent					Assay Description Described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430.				US Patent US9586950 (2017) BindingDB Entry DOI: 10.7270/Q2GX4DKC
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM294349 (US9586950, 17 | methyl 4-cyano-2-{[(3R,6R)-6- meth...) Show SMILES COC(=O)c1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2ccc(C)cc2-n2nccn2)nccc1C#N Show InChI InChI=1S/C24H24N6O4/c1-15-4-7-19(20(12-15)30-27-10-11-28-30)23(31)29-14-18(6-5-16(29)2)34-22-21(24(32)33-3)17(13-25)8-9-26-22/h4,7-12,16,18H,5-6,14H2,1-3H3/t16-,18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.580	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP. US Patent					Assay Description Described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430.				US Patent US9586950 (2017) BindingDB Entry DOI: 10.7270/Q2GX4DKC
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM294337 (US9586950, 5 | methyl 4-cyano-2-{[(3R,6R)-1-{[4- f...) Show SMILES COC(=O)c1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2ccc(F)cc2-n2nccn2)nccc1C#N Show InChI InChI=1S/C23H21FN6O4/c1-14-3-5-17(34-21-20(23(32)33-2)15(12-25)7-8-26-21)13-29(14)22(31)18-6-4-16(24)11-19(18)30-27-9-10-28-30/h4,6-11,14,17H,3,5,13H2,1-2H3/t14-,17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.660	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP. US Patent					Assay Description Described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430.				US Patent US9586950 (2017) BindingDB Entry DOI: 10.7270/Q2GX4DKC
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM294355 (US9586950, 22 | methyl 4-cyano-2-({(3R,6R)-1-[(4- ...) Show SMILES COC(=O)c1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2ccc(F)cc2-c2ncccn2)nccc1C#N Show InChI InChI=1S/C25H22FN5O4/c1-15-4-6-18(35-23-21(25(33)34-2)16(13-27)8-11-30-23)14-31(15)24(32)19-7-5-17(26)12-20(19)22-28-9-3-10-29-22/h3,5,7-12,15,18H,4,6,14H2,1-2H3/t15-,18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.680	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP. US Patent					Assay Description Described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430.				US Patent US9586950 (2017) BindingDB Entry DOI: 10.7270/Q2GX4DKC
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM294353 (Methyl 4-cyano-2-({(3R,6-methyl-1-[(2-pyrimidin-2-...) Show SMILES COC(=O)c1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2ccccc2-c2ncccn2)nccc1C#N Show InChI InChI=1S/C25H23N5O4/c1-16-8-9-18(34-23-21(25(32)33-2)17(14-26)10-13-29-23)15-30(16)24(31)20-7-4-3-6-19(20)22-27-11-5-12-28-22/h3-7,10-13,16,18H,8-9,15H2,1-2H3/t16-,18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.760	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP. US Patent					Assay Description Described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430.				US Patent US9586950 (2017) BindingDB Entry DOI: 10.7270/Q2GX4DKC
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM294346 (US9586950, 14 | methyl 4-cyano-2-{[(3R,6R)-1-{[2- ...) Show SMILES COC(=O)c1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2c(F)cccc2-c2noc(C)n2)nccc1C#N Show InChI InChI=1S/C24H22FN5O5/c1-13-7-8-16(34-22-19(24(32)33-3)15(11-26)9-10-27-22)12-30(13)23(31)20-17(5-4-6-18(20)25)21-28-14(2)35-29-21/h4-6,9-10,13,16H,7-8,12H2,1-3H3/t13-,16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.990	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP. US Patent					Assay Description Described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430.				US Patent US9586950 (2017) BindingDB Entry DOI: 10.7270/Q2GX4DKC
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM294341 (US9586950, 9 | methyl 4-cyano-2-{[(3R,6R)-1-{[2- f...) Show SMILES COC(=O)c1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2c(F)cccc2-c2nc(C)no2)nccc1C#N Show InChI InChI=1S/C24H22FN5O5/c1-13-7-8-16(34-22-19(24(32)33-3)15(11-26)9-10-27-22)12-30(13)23(31)20-17(5-4-6-18(20)25)21-28-14(2)29-35-21/h4-6,9-10,13,16H,7-8,12H2,1-3H3/t13-,16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP. US Patent					Assay Description Described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430.				US Patent US9586950 (2017) BindingDB Entry DOI: 10.7270/Q2GX4DKC
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM294354 (US9586950, 21 | methyl 4-cyano-2-({(3R,6R)-1-[(3- ...) Show SMILES COC(=O)c1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2cccc(F)c2-c2ncccn2)nccc1C#N Show InChI InChI=1S/C25H22FN5O4/c1-15-7-8-17(35-23-20(25(33)34-2)16(13-27)9-12-30-23)14-31(15)24(32)18-5-3-6-19(26)21(18)22-28-10-4-11-29-22/h3-6,9-12,15,17H,7-8,14H2,1-2H3/t15-,17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP. US Patent					Assay Description Described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430.				US Patent US9586950 (2017) BindingDB Entry DOI: 10.7270/Q2GX4DKC
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM294344 (US9586950, 12 | methyl 4-cyano-2-{[(3R,6R)-1-{[4- ...) Show SMILES COC(=O)c1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2ccc(F)cc2-c2noc(C)n2)nccc1C#N Show InChI InChI=1S/C24H22FN5O5/c1-13-4-6-17(34-22-20(24(32)33-3)15(11-26)8-9-27-22)12-30(13)23(31)18-7-5-16(25)10-19(18)21-28-14(2)35-29-21/h5,7-10,13,17H,4,6,12H2,1-3H3/t13-,17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP. US Patent					Assay Description Described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430.				US Patent US9586950 (2017) BindingDB Entry DOI: 10.7270/Q2GX4DKC
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM294334 (US9586950, 3 | methyl 4-cyano-2-{[(3R,6R)-1-{[6- m...) Show SMILES COC(=O)c1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2ccc(OC)nc2-n2nccn2)nccc1C#N Show InChI InChI=1S/C23H23N7O5/c1-14-4-5-16(35-21-19(23(32)34-3)15(12-24)8-9-25-21)13-29(14)22(31)17-6-7-18(33-2)28-20(17)30-26-10-11-27-30/h6-11,14,16H,4-5,13H2,1-3H3/t14-,16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP. US Patent					Assay Description Described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430.				US Patent US9586950 (2017) BindingDB Entry DOI: 10.7270/Q2GX4DKC
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM294347 (US9586950, 15 | methyl 4-cyano-2-{[(3R,6R)-1-{[4- ...) Show SMILES COC(=O)c1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2ccc(F)cc2-c2nc(C)no2)nccc1C#N Show InChI InChI=1S/C24H22FN5O5/c1-13-4-6-17(34-22-20(24(32)33-3)15(11-26)8-9-27-22)12-30(13)23(31)18-7-5-16(25)10-19(18)21-28-14(2)29-35-21/h5,7-10,13,17H,4,6,12H2,1-3H3/t13-,17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP. US Patent					Assay Description Described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430.				US Patent US9586950 (2017) BindingDB Entry DOI: 10.7270/Q2GX4DKC
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM294351 (US9586950, 18 | methyl 4-cyano-2-{[(3R,6R)-6- meth...) Show SMILES COC(=O)c1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2cc(C)ccc2-n2nccn2)nccc1C#N Show InChI InChI=1S/C24H24N6O4/c1-15-4-7-20(30-27-10-11-28-30)19(12-15)23(31)29-14-18(6-5-16(29)2)34-22-21(24(32)33-3)17(13-25)8-9-26-22/h4,7-12,16,18H,5-6,14H2,1-3H3/t16-,18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	25.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP. US Patent					Assay Description Described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430.				US Patent US9586950 (2017) BindingDB Entry DOI: 10.7270/Q2GX4DKC
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM294353 (Methyl 4-cyano-2-({(3R,6-methyl-1-[(2-pyrimidin-2-...) Show SMILES COC(=O)c1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2ccccc2-c2ncccn2)nccc1C#N Show InChI InChI=1S/C25H23N5O4/c1-16-8-9-18(34-23-21(25(32)33-2)17(14-26)10-13-29-23)15-30(16)24(31)20-7-4-3-6-19(20)22-27-11-5-12-28-22/h3-7,10-13,16,18H,8-9,15H2,1-2H3/t16-,18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	30.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP. US Patent					Assay Description Described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430.				US Patent US9586950 (2017) BindingDB Entry DOI: 10.7270/Q2GX4DKC
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM294352 (US9586950, 19 | methyl 4-cyano-2-{[(3R,6R)-6- meth...) Show SMILES COC(=O)c1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2c(C)cccc2-n2nccn2)nccc1C#N Show InChI InChI=1S/C24H24N6O4/c1-15-5-4-6-19(30-27-11-12-28-30)20(15)23(31)29-14-18(8-7-16(29)2)34-22-21(24(32)33-3)17(13-25)9-10-26-22/h4-6,9-12,16,18H,7-8,14H2,1-3H3/t16-,18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	37.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP. US Patent					Assay Description Described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430.				US Patent US9586950 (2017) BindingDB Entry DOI: 10.7270/Q2GX4DKC
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM294356 (US9586950, 23 | methyl 4-cyano-2-({(3R,6R)-1-[(5- ...) Show SMILES COC(=O)c1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2cc(F)ccc2-c2ncccn2)nccc1C#N Show InChI InChI=1S/C25H22FN5O4/c1-15-4-6-18(35-23-21(25(33)34-2)16(13-27)8-11-30-23)14-31(15)24(32)20-12-17(26)5-7-19(20)22-28-9-3-10-29-22/h3,5,7-12,15,18H,4,6,14H2,1-2H3/t15-,18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	46	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP. US Patent					Assay Description Described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430.				US Patent US9586950 (2017) BindingDB Entry DOI: 10.7270/Q2GX4DKC
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM294357 (US9586950, 24 | methyl 4-cyano-2-({(3R,6R)-1-[(2- ...) Show SMILES COC(=O)c1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2c(F)cccc2-c2ncccn2)nccc1C#N Show InChI InChI=1S/C25H22FN5O4/c1-15-7-8-17(35-23-20(25(33)34-2)16(13-27)9-12-30-23)14-31(15)24(32)21-18(5-3-6-19(21)26)22-28-10-4-11-29-22/h3-6,9-12,15,17H,7-8,14H2,1-2H3/t15-,17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	48	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP. US Patent					Assay Description Described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430.				US Patent US9586950 (2017) BindingDB Entry DOI: 10.7270/Q2GX4DKC
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM294306 (US9586950, 1) Show SMILES COC(=O)c1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2ccccc2-n2nccn2)nccc1C#N Show InChI InChI=1S/C23H22N6O4/c1-15-7-8-17(33-21-20(23(31)32-2)16(13-24)9-10-25-21)14-28(15)22(30)18-5-3-4-6-19(18)29-26-11-12-27-29/h3-6,9-12,15,17H,7-8,14H2,1-2H3/t15-,17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	56	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP. US Patent					Assay Description Described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430.				US Patent US9586950 (2017) BindingDB Entry DOI: 10.7270/Q2GX4DKC
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM294348 (US9586950, 16 | methyl 4-cyano-2-{[(3R,6R)-6- meth...) Show SMILES COC(=O)c1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2cccc(C)c2-n2nccn2)nccc1C#N Show InChI InChI=1S/C24H24N6O4/c1-15-5-4-6-19(21(15)30-27-11-12-28-30)23(31)29-14-18(8-7-16(29)2)34-22-20(24(32)33-3)17(13-25)9-10-26-22/h4-6,9-12,16,18H,7-8,14H2,1-3H3/t16-,18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	57.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP. US Patent					Assay Description Described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430.				US Patent US9586950 (2017) BindingDB Entry DOI: 10.7270/Q2GX4DKC
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM294339 (US9586950, 7 | methyl 4-cyano-2-{[(3R,6R)-1-{[2- f...) Show SMILES COC(=O)c1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2c(F)cccc2-n2nccn2)nccc1C#N Show InChI InChI=1S/C23H21FN6O4/c1-14-6-7-16(34-21-19(23(32)33-2)15(12-25)8-9-26-21)13-29(14)22(31)20-17(24)4-3-5-18(20)30-27-10-11-28-30/h3-5,8-11,14,16H,6-7,13H2,1-2H3/t14-,16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	63	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP. US Patent					Assay Description Described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430.				US Patent US9586950 (2017) BindingDB Entry DOI: 10.7270/Q2GX4DKC
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM294333 (US9586950, 2) Show SMILES COC(=O)c1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2ccccc2-c2nc(C)no2)nccc1C#N Show InChI InChI=1S/C24H23N5O5/c1-14-8-9-17(33-22-20(24(31)32-3)16(12-25)10-11-26-22)13-29(14)23(30)19-7-5-4-6-18(19)21-27-15(2)28-34-21/h4-7,10-11,14,17H,8-9,13H2,1-3H3/t14-,17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	73.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP. US Patent					Assay Description Described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430.				US Patent US9586950 (2017) BindingDB Entry DOI: 10.7270/Q2GX4DKC
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM294355 (US9586950, 22 | methyl 4-cyano-2-({(3R,6R)-1-[(4- ...) Show SMILES COC(=O)c1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2ccc(F)cc2-c2ncccn2)nccc1C#N Show InChI InChI=1S/C25H22FN5O4/c1-15-4-6-18(35-23-21(25(33)34-2)16(13-27)8-11-30-23)14-31(15)24(32)19-7-5-17(26)12-20(19)22-28-9-3-10-29-22/h3,5,7-12,15,18H,4,6,14H2,1-2H3/t15-,18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	75.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP. US Patent					Assay Description Described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430.				US Patent US9586950 (2017) BindingDB Entry DOI: 10.7270/Q2GX4DKC
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM294342 (US9586950, 10 | methyl 4-cyano-2-{[(3R,6R)-6- meth...) Show SMILES COC(=O)c1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2ccccc2-c2noc(C)n2)nccc1C#N Show InChI InChI=1S/C24H23N5O5/c1-14-8-9-17(33-22-20(24(31)32-3)16(12-25)10-11-26-22)13-29(14)23(30)19-7-5-4-6-18(19)21-27-15(2)34-28-21/h4-7,10-11,14,17H,8-9,13H2,1-3H3/t14-,17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	86.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP. US Patent					Assay Description Described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430.				US Patent US9586950 (2017) BindingDB Entry DOI: 10.7270/Q2GX4DKC
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM294345 (US9586950, 13 | methyl 4-cyano-2-{[(3R,6R)-1-{[5- ...) Show SMILES COC(=O)c1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2cc(F)ccc2-c2noc(C)n2)nccc1C#N Show InChI InChI=1S/C24H22FN5O5/c1-13-4-6-17(34-22-20(24(32)33-3)15(11-26)8-9-27-22)12-30(13)23(31)19-10-16(25)5-7-18(19)21-28-14(2)35-29-21/h5,7-10,13,17H,4,6,12H2,1-3H3/t13-,17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	117	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP. US Patent					Assay Description Described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430.				US Patent US9586950 (2017) BindingDB Entry DOI: 10.7270/Q2GX4DKC
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM294343 (US9586950, 11 | methyl 4-cyano-2-{[(3R,6R)-1-{[3- ...) Show SMILES COC(=O)c1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2cccc(F)c2-c2noc(C)n2)nccc1C#N Show InChI InChI=1S/C24H22FN5O5/c1-13-7-8-16(34-22-19(24(32)33-3)15(11-26)9-10-27-22)12-30(13)23(31)17-5-4-6-18(25)20(17)21-28-14(2)35-29-21/h4-6,9-10,13,16H,7-8,12H2,1-3H3/t13-,16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	128	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP. US Patent					Assay Description Described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430.				US Patent US9586950 (2017) BindingDB Entry DOI: 10.7270/Q2GX4DKC
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM294338 (US9586950, 6 | methyl 4-cyano-2-{[(3R,6R)-1-{[5- f...) Show SMILES COC(=O)c1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2cc(F)ccc2-n2nccn2)nccc1C#N Show InChI InChI=1S/C23H21FN6O4/c1-14-3-5-17(34-21-20(23(32)33-2)15(12-25)7-8-26-21)13-29(14)22(31)18-11-16(24)4-6-19(18)30-27-9-10-28-30/h4,6-11,14,17H,3,5,13H2,1-2H3/t14-,17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	144	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP. US Patent					Assay Description Described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430.				US Patent US9586950 (2017) BindingDB Entry DOI: 10.7270/Q2GX4DKC
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM294340 (US9586950, 8 | methyl 4-cyano-2-{[(3R,6R)-1-{[5- f...) Show SMILES COC(=O)c1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2cc(F)ccc2-c2nc(C)no2)nccc1C#N Show InChI InChI=1S/C24H22FN5O5/c1-13-4-6-17(34-22-20(24(32)33-3)15(11-26)8-9-27-22)12-30(13)23(31)19-10-16(25)5-7-18(19)21-28-14(2)29-35-21/h5,7-10,13,17H,4,6,12H2,1-3H3/t13-,17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	153	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP. US Patent					Assay Description Described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430.				US Patent US9586950 (2017) BindingDB Entry DOI: 10.7270/Q2GX4DKC
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM294341 (US9586950, 9 | methyl 4-cyano-2-{[(3R,6R)-1-{[2- f...) Show SMILES COC(=O)c1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2c(F)cccc2-c2nc(C)no2)nccc1C#N Show InChI InChI=1S/C24H22FN5O5/c1-13-7-8-16(34-22-19(24(32)33-3)15(11-26)9-10-27-22)12-30(13)23(31)20-17(5-4-6-18(20)25)21-28-14(2)29-35-21/h4-6,9-10,13,16H,7-8,12H2,1-3H3/t13-,16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP. US Patent					Assay Description Described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430.				US Patent US9586950 (2017) BindingDB Entry DOI: 10.7270/Q2GX4DKC
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM294354 (US9586950, 21 | methyl 4-cyano-2-({(3R,6R)-1-[(3- ...) Show SMILES COC(=O)c1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2cccc(F)c2-c2ncccn2)nccc1C#N Show InChI InChI=1S/C25H22FN5O4/c1-15-7-8-17(35-23-20(25(33)34-2)16(13-27)9-12-30-23)14-31(15)24(32)18-5-3-6-19(26)21(18)22-28-10-4-11-29-22/h3-6,9-12,15,17H,7-8,14H2,1-2H3/t15-,17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	174	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP. US Patent					Assay Description Described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430.				US Patent US9586950 (2017) BindingDB Entry DOI: 10.7270/Q2GX4DKC
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM294337 (US9586950, 5 | methyl 4-cyano-2-{[(3R,6R)-1-{[4- f...) Show SMILES COC(=O)c1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2ccc(F)cc2-n2nccn2)nccc1C#N Show InChI InChI=1S/C23H21FN6O4/c1-14-3-5-17(34-21-20(23(32)33-2)15(12-25)7-8-26-21)13-29(14)22(31)18-6-4-16(24)11-19(18)30-27-9-10-28-30/h4,6-11,14,17H,3,5,13H2,1-2H3/t14-,17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	175	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP. US Patent					Assay Description Described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430.				US Patent US9586950 (2017) BindingDB Entry DOI: 10.7270/Q2GX4DKC
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM294349 (US9586950, 17 | methyl 4-cyano-2-{[(3R,6R)-6- meth...) Show SMILES COC(=O)c1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2ccc(C)cc2-n2nccn2)nccc1C#N Show InChI InChI=1S/C24H24N6O4/c1-15-4-7-19(20(12-15)30-27-10-11-28-30)23(31)29-14-18(6-5-16(29)2)34-22-21(24(32)33-3)17(13-25)8-9-26-22/h4,7-12,16,18H,5-6,14H2,1-3H3/t16-,18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	178	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP. US Patent					Assay Description Described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430.				US Patent US9586950 (2017) BindingDB Entry DOI: 10.7270/Q2GX4DKC
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM294346 (US9586950, 14 | methyl 4-cyano-2-{[(3R,6R)-1-{[2- ...) Show SMILES COC(=O)c1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2c(F)cccc2-c2noc(C)n2)nccc1C#N Show InChI InChI=1S/C24H22FN5O5/c1-13-7-8-16(34-22-19(24(32)33-3)15(11-26)9-10-27-22)12-30(13)23(31)20-17(5-4-6-18(20)25)21-28-14(2)35-29-21/h4-6,9-10,13,16H,7-8,12H2,1-3H3/t13-,16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	188	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP. US Patent					Assay Description Described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430.				US Patent US9586950 (2017) BindingDB Entry DOI: 10.7270/Q2GX4DKC
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM294336 (US9586950, 4 | methyl 4-cyano-2-{[(3R,6R)-1-{[3- f...) Show SMILES COC(=O)c1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2cccc(F)c2-n2nccn2)nccc1C#N Show InChI InChI=1S/C23H21FN6O4/c1-14-6-7-16(34-21-19(23(32)33-2)15(12-25)8-9-26-21)13-29(14)22(31)17-4-3-5-18(24)20(17)30-27-10-11-28-30/h3-5,8-11,14,16H,6-7,13H2,1-2H3/t14-,16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	210	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP. US Patent					Assay Description Described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430.				US Patent US9586950 (2017) BindingDB Entry DOI: 10.7270/Q2GX4DKC
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM294359 (Methyl 4-cyano-2-(((3R,6R)-1-(2-cyclobutylbenzoyl)...) Show SMILES COC(=O)c1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2ccccc2C2CCC2)nccc1C#N Show InChI InChI=1S/C25H27N3O4/c1-16-10-11-19(32-23-22(25(30)31-2)18(14-26)12-13-27-23)15-28(16)24(29)21-9-4-3-8-20(21)17-6-5-7-17/h3-4,8-9,12-13,16-17,19H,5-7,10-11,15H2,1-2H3/t16-,19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	241	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP. US Patent					Assay Description Described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430.				US Patent US9586950 (2017) BindingDB Entry DOI: 10.7270/Q2GX4DKC
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM294353 (Methyl 4-cyano-2-({(3R,6-methyl-1-[(2-pyrimidin-2-...) Show SMILES COC(=O)c1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2ccccc2-c2ncccn2)nccc1C#N Show InChI InChI=1S/C25H23N5O4/c1-16-8-9-18(34-23-21(25(32)33-2)17(14-26)10-13-29-23)15-30(16)24(31)20-7-4-3-6-19(20)22-27-11-5-12-28-22/h3-7,10-13,16,18H,8-9,15H2,1-2H3/t16-,18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	269	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP. US Patent					Assay Description Described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430.				US Patent US9586950 (2017) BindingDB Entry DOI: 10.7270/Q2GX4DKC
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM294344 (US9586950, 12 | methyl 4-cyano-2-{[(3R,6R)-1-{[4- ...) Show SMILES COC(=O)c1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2ccc(F)cc2-c2noc(C)n2)nccc1C#N Show InChI InChI=1S/C24H22FN5O5/c1-13-4-6-17(34-22-20(24(32)33-3)15(11-26)8-9-27-22)12-30(13)23(31)18-7-5-16(25)10-19(18)21-28-14(2)35-29-21/h5,7-10,13,17H,4,6,12H2,1-3H3/t13-,17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	332	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP. US Patent					Assay Description Described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430.				US Patent US9586950 (2017) BindingDB Entry DOI: 10.7270/Q2GX4DKC
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 104 total )  |  Next  |  Last  >>

Jump to: