Compile Data Set for Download or QSAR

Found 62 hits Enz. Inhib. hit(s) with all data for entry = 50012934   

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/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50561646 (CHEMBL4798102) Show SMILES FC1(F)CCN(C[C@@H]1Oc1ccc2ccccc2n1)C(=O)c1cccn2ccnc12 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human OXIR				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00085 BindingDB Entry DOI: 10.7270/Q2348Q4F
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM64682 (US9475819, 10A) Show SMILES Cc1ccc(c(c1)C(=O)N1[C@@H]2CC[C@H]1[C@H](COc1ccc(F)cn1)C2)-n1nccn1 |r,TLB:15:14:12.11:9| Show InChI InChI=1S/C22H22FN5O2/c1-14-2-5-20(28-25-8-9-26-28)18(10-14)22(29)27-17-4-6-19(27)15(11-17)13-30-21-7-3-16(23)12-24-21/h2-3,5,7-10,12,15,17,19H,4,6,11,13H2,1H3/t15-,17+,19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human OXIR				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00085 BindingDB Entry DOI: 10.7270/Q2348Q4F
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50203731 (CHEMBL3973097) Show SMILES FC1(F)CCN(C[C@@H]1Oc1ccc2ccccc2n1)C(=O)c1nccc2[nH]cnc12 |r| Show InChI InChI=1S/C21H17F2N5O2/c22-21(23)8-10-28(20(29)19-18-15(7-9-24-19)25-12-26-18)11-16(21)30-17-6-5-13-3-1-2-4-14(13)27-17/h1-7,9,12,16H,8,10-11H2,(H,25,26)/t16-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human OXIR				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00085 BindingDB Entry DOI: 10.7270/Q2348Q4F
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50438822 (CHEMBL2413367) Show SMILES COc1ccc(C[C@@H]2N(CCc3cc(OC)c(OC)cc23)[C@@H](C(=O)NC(C)C)c2ccccc2)cc1OC |r| Show InChI InChI=1S/C31H38N2O5/c1-20(2)32-31(34)30(22-10-8-7-9-11-22)33-15-14-23-18-28(37-5)29(38-6)19-24(23)25(33)16-21-12-13-26(35-3)27(17-21)36-4/h7-13,17-20,25,30H,14-16H2,1-6H3,(H,32,34)/t25-,30+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human OXIR				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00085 BindingDB Entry DOI: 10.7270/Q2348Q4F
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM163902 (US9062078, 33 | US9475819, 33 | US9637496, 33 | US...) Show SMILES Cc1ccc(-c2ncccn2)c(c1)C(=O)N1C2CCC1C(COc1ccc(F)cn1)C2 |TLB:21:20:18.17:15| Show InChI InChI=1S/C24H23FN4O2/c1-15-3-6-19(23-26-9-2-10-27-23)20(11-15)24(30)29-18-5-7-21(29)16(12-18)14-31-22-8-4-17(25)13-28-22/h2-4,6,8-11,13,16,18,21H,5,7,12,14H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	8.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human OXIR				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00085 BindingDB Entry DOI: 10.7270/Q2348Q4F
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM65032 (US9475819, 279) Show SMILES Fc1cccc(C(=O)N2[C@@H]3CC[C@H]2[C@@H](C3)Nc2ccc(cn2)C(F)(F)F)c1-c1ncccn1 |r,TLB:15:13:11.10:8| Show InChI InChI=1S/C23H19F4N5O/c24-16-4-1-3-15(20(16)21-28-9-2-10-29-21)22(33)32-14-6-7-18(32)17(11-14)31-19-8-5-13(12-30-19)23(25,26)27/h1-5,8-10,12,14,17-18H,6-7,11H2,(H,30,31)/t14-,17-,18+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human OXIR				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00085 BindingDB Entry DOI: 10.7270/Q2348Q4F
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM163879 (US9062078, 11 | US9062078, 12A | US9062078, 12B | ...) Show SMILES Fc1ccc(OCC2CC3CCC2N3C(=O)c2ccccc2-c2cccs2)nc1 |THB:6:7:11.10:13| Show InChI InChI=1S/C23H21FN2O2S/c24-16-7-10-22(25-13-16)28-14-15-12-17-8-9-20(15)26(17)23(27)19-5-2-1-4-18(19)21-6-3-11-29-21/h1-7,10-11,13,15,17,20H,8-9,12,14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human OXIR				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00085 BindingDB Entry DOI: 10.7270/Q2348Q4F
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM163876 (US9062078, 10A | US9062078, 10B | US9062078, 9 | U...) Show SMILES Cc1ccc(c(c1)C(=O)N1C2CCC1C(COc1ccc(F)cn1)C2)-n1nccn1 |TLB:15:14:12.11:9| Show InChI InChI=1S/C22H22FN5O2/c1-14-2-5-20(28-25-8-9-26-28)18(10-14)22(29)27-17-4-6-19(27)15(11-17)13-30-21-7-3-16(23)12-24-21/h2-3,5,7-10,12,15,17,19H,4,6,11,13H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human OXIR				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00085 BindingDB Entry DOI: 10.7270/Q2348Q4F
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM163879 (US9062078, 11 | US9062078, 12A | US9062078, 12B | ...) Show SMILES Fc1ccc(OCC2CC3CCC2N3C(=O)c2ccccc2-c2cccs2)nc1 |THB:6:7:11.10:13| Show InChI InChI=1S/C23H21FN2O2S/c24-16-7-10-22(25-13-16)28-14-15-12-17-8-9-20(15)26(17)23(27)19-5-2-1-4-18(19)21-6-3-11-29-21/h1-7,10-11,13,15,17,20H,8-9,12,14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human OX2R				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00085 BindingDB Entry DOI: 10.7270/Q2348Q4F
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50561653 (CHEMBL4749384) Show SMILES [H][C@@]12CC[C@@]([H])([C@@H](C1)Nc1ncc(cc1Cl)C(F)(F)F)N2C(=O)c1cccc(F)c1-c1ncccn1 |r,TLB:8:6:2.3:20| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human OXIR				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00085 BindingDB Entry DOI: 10.7270/Q2348Q4F
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM64646 (US9475819, 8A) Show SMILES Cc1ccc(c(n1)C(=O)N1[C@@H]2CC[C@H]1[C@H](COc1ccc(F)cn1)C2)-n1nccn1 |r,TLB:15:14:12.11:9| Show InChI InChI=1S/C21H21FN6O2/c1-13-2-5-18(28-24-8-9-25-28)20(26-13)21(29)27-16-4-6-17(27)14(10-16)12-30-19-7-3-15(22)11-23-19/h2-3,5,7-9,11,14,16-17H,4,6,10,12H2,1H3/t14-,16+,17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human OXIR				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00085 BindingDB Entry DOI: 10.7270/Q2348Q4F
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50561652 (CHEMBL4752792) Show SMILES [H][C@@]12CC[C@@]([H])([C@@H](C1)Nc1ncc(cc1F)C(F)(F)F)N2C(=O)c1cccc(F)c1-c1ncccn1 |r,TLB:8:6:2.3:20| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human OXIR				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00085 BindingDB Entry DOI: 10.7270/Q2348Q4F
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50561651 (CHEMBL4786307) Show SMILES [H][C@@]12CC[C@@]([H])([C@@H](C1)Nc1cnc(cn1)C(F)(F)F)N2C(=O)c1cccc(F)c1-c1ncccn1 |r,TLB:8:6:2.3:19| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human OXIR				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00085 BindingDB Entry DOI: 10.7270/Q2348Q4F
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM4535 (US9475819, 5A) Show SMILES Cc1ccc(c(n1)C(=O)N1[C@@H]2CC[C@H]1[C@H](COc1ccccn1)C2)-n1nccn1 |r,TLB:15:14:12.11:9| Show InChI InChI=1S/C21H20ClN3O3/c1-5-28-18-9-17(15(22)6-12(18)2)25-21-13(10-23)11-24-16-8-20(27-4)19(26-3)7-14(16)21/h6-9,11H,5H2,1-4H3,(H,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human OXIR				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00085 BindingDB Entry DOI: 10.7270/Q2348Q4F
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM4532 (US9475819, 3B) Show SMILES Cc1ccc(-c2ncccn2)c(n1)C(=O)N1[C@@H]2CC[C@H]1[C@H](COc1ccccn1)C2 |r,TLB:21:20:18.17:15| Show InChI InChI=1S/C19H16ClN3O3/c1-24-16-6-12(4-5-14(16)20)23-19-11(9-21)10-22-15-8-18(26-3)17(25-2)7-13(15)19/h4-8,10H,1-3H3,(H,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human OXIR				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00085 BindingDB Entry DOI: 10.7270/Q2348Q4F
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50561647 (CHEMBL4750440) Show SMILES [H][C@@]12CC[C@@]([H])([C@@H](C1)Nc1cnc(cn1)C(F)(F)F)N2C(=O)c1ccccc1-c1ncccn1 |r,TLB:8:6:2.3:19| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human OXIR				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00085 BindingDB Entry DOI: 10.7270/Q2348Q4F
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50561648 (CHEMBL4743991) Show SMILES [H][C@@]12CC[C@@]([H])([C@@H](C1)Nc1cnc(cn1)C(F)(F)F)N2C(=O)c1c(F)cccc1-c1ncccn1 |r,TLB:8:6:2.3:19| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human OXIR				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00085 BindingDB Entry DOI: 10.7270/Q2348Q4F
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM65030 (US9475819, 181) Show SMILES FC(F)(F)c1cnc(N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2ccccc2-n2nccn2)cn1 |r,THB:8:9:13.12:15| Show InChI InChI=1S/C20H18F3N7O/c21-20(22,23)17-10-25-18(11-24-17)28-14-9-12-5-6-16(14)29(12)19(31)13-3-1-2-4-15(13)30-26-7-8-27-30/h1-4,7-8,10-12,14,16H,5-6,9H2,(H,25,28)/t12-,14-,16+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human OXIR				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00085 BindingDB Entry DOI: 10.7270/Q2348Q4F
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM64682 (US9475819, 10A) Show SMILES Cc1ccc(c(c1)C(=O)N1[C@@H]2CC[C@H]1[C@H](COc1ccc(F)cn1)C2)-n1nccn1 |r,TLB:15:14:12.11:9| Show InChI InChI=1S/C22H22FN5O2/c1-14-2-5-20(28-25-8-9-26-28)18(10-14)22(29)27-17-4-6-19(27)15(11-17)13-30-21-7-3-16(23)12-24-21/h2-3,5,7-10,12,15,17,19H,4,6,11,13H2,1H3/t15-,17+,19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human OX2R				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00085 BindingDB Entry DOI: 10.7270/Q2348Q4F
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM163902 (US9062078, 33 | US9475819, 33 | US9637496, 33 | US...) Show SMILES Cc1ccc(-c2ncccn2)c(c1)C(=O)N1C2CCC1C(COc1ccc(F)cn1)C2 |TLB:21:20:18.17:15| Show InChI InChI=1S/C24H23FN4O2/c1-15-3-6-19(23-26-9-2-10-27-23)20(11-15)24(30)29-18-5-7-21(29)16(12-18)14-31-22-8-4-17(25)13-28-22/h2-4,6,8-11,13,16,18,21H,5,7,12,14H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human OX2R				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00085 BindingDB Entry DOI: 10.7270/Q2348Q4F
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM163901 (US9062078, 32 | US9475819, 32 | US9637496, 32 | US...) Show SMILES Fc1ccc(OCC2CC3CCC2N3C(=O)c2cc(F)ccc2-c2ncccn2)nc1 |THB:6:7:11.10:13| Show InChI InChI=1S/C23H20F2N4O2/c24-15-2-5-18(22-26-8-1-9-27-22)19(11-15)23(30)29-17-4-6-20(29)14(10-17)13-31-21-7-3-16(25)12-28-21/h1-3,5,7-9,11-12,14,17,20H,4,6,10,13H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	41	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human OXIR				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00085 BindingDB Entry DOI: 10.7270/Q2348Q4F
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50384416 (CHEMBL2111553 | CHEMBL291536 | SB-334867) Show SMILES Cc1nc2ccc(NC(=O)Nc3ccnc4cccnc34)cc2o1 Show InChI InChI=1S/C17H13N5O2/c1-10-20-12-5-4-11(9-15(12)24-10)21-17(23)22-14-6-8-18-13-3-2-7-19-16(13)14/h2-9H,1H3,(H2,18,21,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	48	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human OXIR				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00085 BindingDB Entry DOI: 10.7270/Q2348Q4F
					More data for this Ligand-Target Pair				3D Structure (crystal)
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM164066 (US9062078, 196 | US9475819, 196 | US9637496, 196 |...) Show SMILES FC(F)(F)c1ccc(NC2CC3CCC2N3C(=O)c2ccccc2-n2nccn2)nc1 |THB:8:9:13.12:15| Show InChI InChI=1S/C21H19F3N6O/c22-21(23,24)13-5-8-19(25-12-13)28-16-11-14-6-7-18(16)29(14)20(31)15-3-1-2-4-17(15)30-26-9-10-27-30/h1-5,8-10,12,14,16,18H,6-7,11H2,(H,25,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	52	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human OXIR				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00085 BindingDB Entry DOI: 10.7270/Q2348Q4F
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM163899 (US9062078, 30 | US9475819, 30 | US9637496, 30 | US...) Show SMILES Fc1ccc(OCC2CC3CCC2N3C(=O)c2cc(F)ccc2-n2nccn2)nc1 |THB:6:7:11.10:13| Show InChI InChI=1S/C21H19F2N5O2/c22-14-1-4-19(28-25-7-8-26-28)17(10-14)21(29)27-16-3-5-18(27)13(9-16)12-30-20-6-2-15(23)11-24-20/h1-2,4,6-8,10-11,13,16,18H,3,5,9,12H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	59	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human OXIR				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00085 BindingDB Entry DOI: 10.7270/Q2348Q4F
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50561650 (CHEMBL4747380) Show SMILES [H][C@@]12CC[C@@]([H])([C@@H](C1)Nc1cnc(cn1)C(F)(F)F)N2C(=O)c1ccc(F)cc1-c1ncccn1 |r,TLB:8:6:2.3:19| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	61	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human OXIR				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00085 BindingDB Entry DOI: 10.7270/Q2348Q4F
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM164050 (US9062078, 181 | US9062078, 182 | US9062078, 183a ...) Show SMILES FC(F)(F)c1cnc(NC2CC3CCC2N3C(=O)c2ccccc2-n2nccn2)cn1 |THB:8:9:13.12:15| Show InChI InChI=1S/C20H18F3N7O/c21-20(22,23)17-10-25-18(11-24-17)28-14-9-12-5-6-16(14)29(12)19(31)13-3-1-2-4-15(13)30-26-7-8-27-30/h1-4,7-8,10-12,14,16H,5-6,9H2,(H,25,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	62	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human OXIR				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00085 BindingDB Entry DOI: 10.7270/Q2348Q4F
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50561649 (CHEMBL4797068) Show SMILES [H][C@@]12CC[C@@]([H])([C@@H](C1)Nc1cnc(cn1)C(F)(F)F)N2C(=O)c1cc(F)ccc1-c1ncccn1 |r,TLB:8:6:2.3:19| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	65	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human OXIR				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00085 BindingDB Entry DOI: 10.7270/Q2348Q4F
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM163876 (US9062078, 10A | US9062078, 10B | US9062078, 9 | U...) Show SMILES Cc1ccc(c(c1)C(=O)N1C2CCC1C(COc1ccc(F)cn1)C2)-n1nccn1 |TLB:15:14:12.11:9| Show InChI InChI=1S/C22H22FN5O2/c1-14-2-5-20(28-25-8-9-26-28)18(10-14)22(29)27-17-4-6-19(27)15(11-17)13-30-21-7-3-16(23)12-24-21/h2-3,5,7-10,12,15,17,19H,4,6,11,13H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	72	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human OX2R				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00085 BindingDB Entry DOI: 10.7270/Q2348Q4F
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM164057 (US9062078, 187 | US9475819, 187 | US9637496, 187 |...) Show SMILES Cc1ccc(c(n1)C(=O)N1C2CCC1C(C2)Nc1ccc(cn1)C(F)(F)F)-n1nccn1 |TLB:16:14:12.11:9| Show InChI InChI=1S/C21H20F3N7O/c1-12-2-5-17(31-26-8-9-27-31)19(28-12)20(32)30-14-4-6-16(30)15(10-14)29-18-7-3-13(11-25-18)21(22,23)24/h2-3,5,7-9,11,14-16H,4,6,10H2,1H3,(H,25,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	75	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human OXIR				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00085 BindingDB Entry DOI: 10.7270/Q2348Q4F
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM164081 (US9062078, 211 | US9475819, 211 | US9637496, 211 |...) Show SMILES Clc1ccc(NC2CC3CCC2N3C(=O)c2ccccc2-n2nccn2)nc1 |THB:5:6:10.9:12| Show InChI InChI=1S/C20H19ClN6O/c21-13-5-8-19(22-12-13)25-16-11-14-6-7-18(16)26(14)20(28)15-3-1-2-4-17(15)27-23-9-10-24-27/h1-5,8-10,12,14,16,18H,6-7,11H2,(H,22,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	96	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human OXIR				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00085 BindingDB Entry DOI: 10.7270/Q2348Q4F
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM326730 ((R/S)-(3-fluoro-2-(pyrimidin-2-yl)phenyl)(2-((5-(t...) Show SMILES Fc1cccc(C(=O)N2C3CCC2C(C3)Oc2cnc(cn2)C(F)(F)F)c1-c1ncccn1 |TLB:15:13:11.10:8| Show InChI InChI=1S/C22H17F4N5O2/c23-14-4-1-3-13(19(14)20-27-7-2-8-28-20)21(32)31-12-5-6-15(31)16(9-12)33-18-11-29-17(10-30-18)22(24,25)26/h1-4,7-8,10-12,15-16H,5-6,9H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human OXIR				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00085 BindingDB Entry DOI: 10.7270/Q2348Q4F
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM64646 (US9475819, 8A) Show SMILES Cc1ccc(c(n1)C(=O)N1[C@@H]2CC[C@H]1[C@H](COc1ccc(F)cn1)C2)-n1nccn1 |r,TLB:15:14:12.11:9| Show InChI InChI=1S/C21H21FN6O2/c1-13-2-5-18(28-24-8-9-25-28)20(26-13)21(29)27-16-4-6-17(27)14(10-16)12-30-19-7-3-15(22)11-23-19/h2-3,5,7-9,11,14,16-17H,4,6,10,12H2,1H3/t14-,16+,17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human OX2R				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00085 BindingDB Entry DOI: 10.7270/Q2348Q4F
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM326712 ((R/S)-(3-fluoro-2-(pyrimidin-2-yl)phenyl)-2-((5-(t...) Show SMILES Fc1cccc(C(=O)N2C3CCC2C(C3)Oc2ccc(cn2)C(F)(F)F)c1-c1ncccn1 |TLB:15:13:11.10:8| Show InChI InChI=1S/C23H18F4N4O2/c24-16-4-1-3-15(20(16)21-28-9-2-10-29-21)22(32)31-14-6-7-17(31)18(11-14)33-19-8-5-13(12-30-19)23(25,26)27/h1-5,8-10,12,14,17-18H,6-7,11H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human OXIR				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00085 BindingDB Entry DOI: 10.7270/Q2348Q4F
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM326704 ((R/S)-(2-(2H-1,2,3-triazol-2-yl)phenyl)-2-((5-(tri...) Show SMILES FC(F)(F)c1ccc(OC2CC3CCC2N3C(=O)c2ccccc2-n2nccn2)nc1 |THB:8:9:13.12:15| Show InChI InChI=1S/C21H18F3N5O2/c22-21(23,24)13-5-8-19(25-12-13)31-18-11-14-6-7-17(18)28(14)20(30)15-3-1-2-4-16(15)29-26-9-10-27-29/h1-5,8-10,12,14,17-18H,6-7,11H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human OXIR				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00085 BindingDB Entry DOI: 10.7270/Q2348Q4F
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM163901 (US9062078, 32 | US9475819, 32 | US9637496, 32 | US...) Show SMILES Fc1ccc(OCC2CC3CCC2N3C(=O)c2cc(F)ccc2-c2ncccn2)nc1 |THB:6:7:11.10:13| Show InChI InChI=1S/C23H20F2N4O2/c24-15-2-5-18(22-26-8-1-9-27-22)19(11-15)23(30)29-17-4-6-20(29)14(10-17)13-31-21-7-3-16(25)12-28-21/h1-3,5,7-9,11-12,14,17,20H,4,6,10,13H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human OX2R				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00085 BindingDB Entry DOI: 10.7270/Q2348Q4F
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM164091 (US9062078, 221 | US9475819, 221 | US9637496, 221 |...) Show SMILES FC(F)(F)c1cnc(NC2CC3CCC2N3C(=O)c2ccccc2-n2nccn2)nc1 |THB:8:9:13.12:15| Show InChI InChI=1S/C20H18F3N7O/c21-20(22,23)12-10-24-19(25-11-12)28-15-9-13-5-6-17(15)29(13)18(31)14-3-1-2-4-16(14)30-26-7-8-27-30/h1-4,7-8,10-11,13,15,17H,5-6,9H2,(H,24,25,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human OXIR				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00085 BindingDB Entry DOI: 10.7270/Q2348Q4F
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM163899 (US9062078, 30 | US9475819, 30 | US9637496, 30 | US...) Show SMILES Fc1ccc(OCC2CC3CCC2N3C(=O)c2cc(F)ccc2-n2nccn2)nc1 |THB:6:7:11.10:13| Show InChI InChI=1S/C21H19F2N5O2/c22-14-1-4-19(28-25-7-8-26-28)17(10-14)21(29)27-16-3-5-18(27)13(9-16)12-30-20-6-2-15(23)11-24-20/h1-2,4,6-8,10-11,13,16,18H,3,5,9,12H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human OX2R				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00085 BindingDB Entry DOI: 10.7270/Q2348Q4F
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM4532 (US9475819, 3B) Show SMILES Cc1ccc(-c2ncccn2)c(n1)C(=O)N1[C@@H]2CC[C@H]1[C@H](COc1ccccn1)C2 |r,TLB:21:20:18.17:15| Show InChI InChI=1S/C19H16ClN3O3/c1-24-16-6-12(4-5-14(16)20)23-19-11(9-21)10-22-15-8-18(26-3)17(25-2)7-13(15)19/h4-8,10H,1-3H3,(H,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human OX2R				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00085 BindingDB Entry DOI: 10.7270/Q2348Q4F
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50438822 (CHEMBL2413367) Show SMILES COc1ccc(C[C@@H]2N(CCc3cc(OC)c(OC)cc23)[C@@H](C(=O)NC(C)C)c2ccccc2)cc1OC |r| Show InChI InChI=1S/C31H38N2O5/c1-20(2)32-31(34)30(22-10-8-7-9-11-22)33-15-14-23-18-28(37-5)29(38-6)19-24(23)25(33)16-21-12-13-26(35-3)27(17-21)36-4/h7-13,17-20,25,30H,14-16H2,1-6H3,(H,32,34)/t25-,30+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	417	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human OX2R				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00085 BindingDB Entry DOI: 10.7270/Q2348Q4F
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM163916 (US9062078, 47 | US9475819, 47 | US9637496, 47 | US...) Show SMILES Cc1ccc(c(n1)C(=O)N1C2CCC1C(COc1ccc(cn1)C(F)(F)F)C2)-n1nccn1 |TLB:15:14:12.11:9| Show InChI InChI=1S/C22H21F3N6O2/c1-13-2-5-18(31-27-8-9-28-31)20(29-13)21(32)30-16-4-6-17(30)14(10-16)12-33-19-7-3-15(11-26-19)22(23,24)25/h2-3,5,7-9,11,14,16-17H,4,6,10,12H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	420	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human OX2R				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00085 BindingDB Entry DOI: 10.7270/Q2348Q4F
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM4535 (US9475819, 5A) Show SMILES Cc1ccc(c(n1)C(=O)N1[C@@H]2CC[C@H]1[C@H](COc1ccccn1)C2)-n1nccn1 |r,TLB:15:14:12.11:9| Show InChI InChI=1S/C21H20ClN3O3/c1-5-28-18-9-17(15(22)6-12(18)2)25-21-13(10-23)11-24-16-8-20(27-4)19(26-3)7-14(16)21/h6-9,11H,5H2,1-4H3,(H,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	430	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human OX2R				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00085 BindingDB Entry DOI: 10.7270/Q2348Q4F
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM163916 (US9062078, 47 | US9475819, 47 | US9637496, 47 | US...) Show SMILES Cc1ccc(c(n1)C(=O)N1C2CCC1C(COc1ccc(cn1)C(F)(F)F)C2)-n1nccn1 |TLB:15:14:12.11:9| Show InChI InChI=1S/C22H21F3N6O2/c1-13-2-5-18(31-27-8-9-28-31)20(29-13)21(32)30-16-4-6-17(30)14(10-16)12-33-19-7-3-15(11-26-19)22(23,24)25/h2-3,5,7-9,11,14,16-17H,4,6,10,12H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human OXIR				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00085 BindingDB Entry DOI: 10.7270/Q2348Q4F
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50561647 (CHEMBL4750440) Show SMILES [H][C@@]12CC[C@@]([H])([C@@H](C1)Nc1cnc(cn1)C(F)(F)F)N2C(=O)c1ccccc1-c1ncccn1 |r,TLB:8:6:2.3:19| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	520	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human OX2R				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00085 BindingDB Entry DOI: 10.7270/Q2348Q4F
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50561653 (CHEMBL4749384) Show SMILES [H][C@@]12CC[C@@]([H])([C@@H](C1)Nc1ncc(cc1Cl)C(F)(F)F)N2C(=O)c1cccc(F)c1-c1ncccn1 |r,TLB:8:6:2.3:20| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	540	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human OX2R				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00085 BindingDB Entry DOI: 10.7270/Q2348Q4F
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50561648 (CHEMBL4743991) Show SMILES [H][C@@]12CC[C@@]([H])([C@@H](C1)Nc1cnc(cn1)C(F)(F)F)N2C(=O)c1c(F)cccc1-c1ncccn1 |r,TLB:8:6:2.3:19| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	560	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human OX2R				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00085 BindingDB Entry DOI: 10.7270/Q2348Q4F
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM164057 (US9062078, 187 | US9475819, 187 | US9637496, 187 |...) Show SMILES Cc1ccc(c(n1)C(=O)N1C2CCC1C(C2)Nc1ccc(cn1)C(F)(F)F)-n1nccn1 |TLB:16:14:12.11:9| Show InChI InChI=1S/C21H20F3N7O/c1-12-2-5-17(31-26-8-9-27-31)19(28-12)20(32)30-14-4-6-16(30)15(10-14)29-18-7-3-13(11-25-18)21(22,23)24/h2-3,5,7-9,11,14-16H,4,6,10H2,1H3,(H,25,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	620	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human OX2R				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00085 BindingDB Entry DOI: 10.7270/Q2348Q4F
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50561651 (CHEMBL4786307) Show SMILES [H][C@@]12CC[C@@]([H])([C@@H](C1)Nc1cnc(cn1)C(F)(F)F)N2C(=O)c1cccc(F)c1-c1ncccn1 |r,TLB:8:6:2.3:19| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human OX2R				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00085 BindingDB Entry DOI: 10.7270/Q2348Q4F
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50561649 (CHEMBL4797068) Show SMILES [H][C@@]12CC[C@@]([H])([C@@H](C1)Nc1cnc(cn1)C(F)(F)F)N2C(=O)c1cc(F)ccc1-c1ncccn1 |r,TLB:8:6:2.3:19| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	730	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human OX2R				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00085 BindingDB Entry DOI: 10.7270/Q2348Q4F
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM65030 (US9475819, 181) Show SMILES FC(F)(F)c1cnc(N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2ccccc2-n2nccn2)cn1 |r,THB:8:9:13.12:15| Show InChI InChI=1S/C20H18F3N7O/c21-20(22,23)17-10-25-18(11-24-17)28-14-9-12-5-6-16(14)29(12)19(31)13-3-1-2-4-15(13)30-26-7-8-27-30/h1-4,7-8,10-12,14,16H,5-6,9H2,(H,25,28)/t12-,14-,16+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	770	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human OX2R				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00085 BindingDB Entry DOI: 10.7270/Q2348Q4F
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50561646 (CHEMBL4798102) Show SMILES FC1(F)CCN(C[C@@H]1Oc1ccc2ccccc2n1)C(=O)c1cccn2ccnc12 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.01E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human OX2R				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00085 BindingDB Entry DOI: 10.7270/Q2348Q4F
					More data for this Ligand-Target Pair

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