Compile Data Set for Download or QSAR

Found 145 hits with Last Name = 'ping' and Initial = 'c'   

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
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM92906 (CHK1 compound 1) Show SMILES O[C@H]1CN(C[C@H]1O)C(=O)c1[nH]c2cc(NC(=O)C3C[C@H]3c3ccccc3)cc3c2c1cn[nH]c3=O |r| Show InChI InChI=1S/C25H21N5O5/c31-19-10-30(11-20(19)32)25(35)22-17-9-26-29-24(34)16-6-13(7-18(28-22)21(16)17)27-23(33)15-8-14(15)12-4-2-1-3-5-12/h1-7,9,14-15,19-20,31-32H,8,10-11H2,(H,27,33)/t14-,15?,19-,20+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.75	-49.5	n/a	n/a	n/a	n/a	n/a	7.4	22
Pfizer					Assay Description The inhibitors reported in this study bind to CHK1 according to a general mechanism illustrated in Scheme 1 where E, S, and I stand for enzyme, subst...				Biochemistry 48: 9823-30 (2009) Article DOI: 10.1021/bi900258v BindingDB Entry DOI: 10.7270/Q25M649B
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM92906 (CHK1 compound 1) Show SMILES O[C@H]1CN(C[C@H]1O)C(=O)c1[nH]c2cc(NC(=O)C3C[C@H]3c3ccccc3)cc3c2c1cn[nH]c3=O |r| Show InChI InChI=1S/C25H21N5O5/c31-19-10-30(11-20(19)32)25(35)22-17-9-26-29-24(34)16-6-13(7-18(28-22)21(16)17)27-23(33)15-8-14(15)12-4-2-1-3-5-12/h1-7,9,14-15,19-20,31-32H,8,10-11H2,(H,27,33)/t14-,15?,19-,20+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.14	-46.5	n/a	n/a	n/a	n/a	n/a	8.0	20
Pfizer					Assay Description Surface plasmon resonance (SPR) biosensor binding studies were conducted using a Biacore 3000 instrument (GE Healtchare).				Biochemistry 48: 9823-30 (2009) Article DOI: 10.1021/bi900258v BindingDB Entry DOI: 10.7270/Q25M649B
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM92908 (CHK1 compound 3) Show SMILES CC(C)(C)c1ccc(cc1[N+](O)=O)C(=O)NC(=O)Nc1cccc2ccccc12 Show InChI InChI=1S/C22H21N3O4/c1-22(2,3)17-12-11-15(13-19(17)25(28)29)20(26)24-21(27)23-18-10-6-8-14-7-4-5-9-16(14)18/h4-13H,1-3H3,(H2-,23,24,26,27,28,29)/p+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	146	-38.6	n/a	n/a	n/a	n/a	n/a	7.4	22
Pfizer					Assay Description The inhibitors reported in this study bind to CHK1 according to a general mechanism illustrated in Scheme 1 where E, S, and I stand for enzyme, subst...				Biochemistry 48: 9823-30 (2009) Article DOI: 10.1021/bi900258v BindingDB Entry DOI: 10.7270/Q25M649B
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM92908 (CHK1 compound 3) Show SMILES CC(C)(C)c1ccc(cc1[N+](O)=O)C(=O)NC(=O)Nc1cccc2ccccc12 Show InChI InChI=1S/C22H21N3O4/c1-22(2,3)17-12-11-15(13-19(17)25(28)29)20(26)24-21(27)23-18-10-6-8-14-7-4-5-9-16(14)18/h4-13H,1-3H3,(H2-,23,24,26,27,28,29)/p+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	290	-36.7	n/a	n/a	n/a	n/a	n/a	8.0	20
Pfizer					Assay Description Surface plasmon resonance (SPR) biosensor binding studies were conducted using a Biacore 3000 instrument (GE Healtchare).				Biochemistry 48: 9823-30 (2009) Article DOI: 10.1021/bi900258v BindingDB Entry DOI: 10.7270/Q25M649B
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM92907 (CHK1 compound 2) Show SMILES CC(OC(=O)Nc1ccc(Cl)c(Cl)c1)c1nc2ccccc2[nH]1 Show InChI InChI=1S/C16H13Cl2N3O2/c1-9(15-20-13-4-2-3-5-14(13)21-15)23-16(22)19-10-6-7-11(17)12(18)8-10/h2-9H,1H3,(H,19,22)(H,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	1.89E+3	-32.3	n/a	n/a	n/a	n/a	n/a	7.4	22
Pfizer					Assay Description The inhibitors reported in this study bind to CHK1 according to a general mechanism illustrated in Scheme 1 where E, S, and I stand for enzyme, subst...				Biochemistry 48: 9823-30 (2009) Article DOI: 10.1021/bi900258v BindingDB Entry DOI: 10.7270/Q25M649B
					More data for this Ligand-Target Pair				3D Structure (crystal)
Orexin receptor type 2 (Homo sapiens (Human))	BDBM559715 (WO2022109117, Example 60) Show SMILES C[C@@H]1C[C@H](NS(C)(=O)=O)[C@@H]2COC3CCC(CC3)c3cccc(OCCOC(=O)N12)n3 |wD:1.0,3.3,9.31,(-.5,-5.39,;-.13,-3.92,;-1.1,-2.75,;-.29,-1.46,;-.85,-.05,;-2.36,.17,;-3.86,.38,;-2.58,-1.34,;-2.14,1.67,;1.18,-1.84,;1.67,-.33,;2.7,.9,;4.32,1.22,;5.65,2.06,;7.08,1.48,;7.28,-.08,;5.99,-.92,;4.62,-.28,;8.39,-1.27,;9.96,-1.36,;10.67,-2.71,;9.94,-4.03,;8.38,-3.99,;7.51,-5.26,;6.21,-6.09,;4.67,-6.26,;3.19,-5.8,;1.99,-4.79,;.79,-5.72,;1.28,-3.35,;7.66,-2.63,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022109117	n/a	n/a	0.0400	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description In a typical experiment, the OXI and OX2 receptor agonist activity is determined in accordance with the following general experimental method. Chines...				Citation and Details BindingDB Entry DOI: 10.7270/Q2C53Q2G
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM559716 (WO2022109117, Example 61) Show SMILES C[C@@H]1C[C@H](NS(C)(=O)=O)[C@@H]2COC3CCC(CC3)c3cccc(OCCCOC(=O)N12)n3 |wD:1.0,3.3,9.32,(16.42,6.26,;15.92,4.82,;16.78,3.57,;15.86,2.36,;16.29,.91,;17.77,.55,;19.25,.2,;18.13,2.03,;17.42,-.93,;14.42,2.87,;13.82,1.42,;12.67,.34,;11.12,.05,;10.85,1.56,;9.44,2.11,;8.17,1.22,;8.46,-.33,;9.89,-.9,;6.96,2.31,;5.4,2.22,;4.49,3.45,;5.13,4.84,;6.67,5.04,;7.38,6.45,;8.52,7.48,;9.99,7.92,;11.53,7.79,;12.91,7.09,;13.94,5.91,;15.26,6.68,;14.46,4.39,;7.52,3.76,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022109117	n/a	n/a	0.0500	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description In a typical experiment, the OXI and OX2 receptor agonist activity is determined in accordance with the following general experimental method. Chines...				Citation and Details BindingDB Entry DOI: 10.7270/Q2C53Q2G
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM559737 (WO2022109117, Example 82) Show SMILES C[C@@H]1C[C@H](NS(C)(=O)=O)[C@@H]2COC3CCC(CC3)c3nc(OCCOC(=O)N12)c(F)cc3F |wD:1.0,3.3,9.29,(-.98,-5.13,;-.61,-3.66,;-1.58,-2.49,;-.77,-1.2,;-1.33,.21,;-2.84,.42,;-4.34,.64,;-3.05,-1.08,;-2.62,1.93,;.7,-1.58,;1.19,-.08,;2.22,1.16,;3.84,1.48,;5.17,2.32,;6.6,1.74,;6.8,.18,;5.51,-.66,;4.14,-.02,;7.91,-1.01,;7.18,-2.37,;7.9,-3.73,;7.03,-5,;5.73,-5.83,;4.19,-6,;2.71,-5.54,;1.51,-4.53,;.31,-5.46,;.8,-3.09,;9.46,-3.77,;10.21,-5.09,;10.19,-2.45,;9.48,-1.1,;10.3,.18,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022109117	n/a	n/a	0.0700	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description In a typical experiment, the OXI and OX2 receptor agonist activity is determined in accordance with the following general experimental method. Chines...				Citation and Details BindingDB Entry DOI: 10.7270/Q2C53Q2G
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM559656 (WO2022109117, Example 1) Show SMILES C[C@@H]1C[C@H](NS(=O)(=O)N(C)C)[C@@H]2CO[C@H]3CC[C@H](CC3)c3ccccc3\C=C/OC(=O)N12 |wU:1.0,3.3,14.19,17.17,11.34,c:28,(7.84,-2.1,;6.55,-1.27,;6.46,.27,;4.97,.66,;4.41,2.09,;5.37,3.29,;6.57,2.33,;4.17,4.26,;6.33,4.5,;5.77,5.93,;7.86,4.26,;4.14,-.64,;2.72,.03,;1.13,.06,;-.2,-.85,;.94,-1.91,;.69,-3.42,;-.71,-4.05,;-1.86,-2.99,;-1.66,-1.45,;-.07,-5.54,;-1.54,-6.01,;-1.86,-7.52,;-.72,-8.55,;.75,-8.08,;1.07,-6.57,;2.72,-6.8,;4.2,-6.14,;5.18,-4.87,;5.49,-3.35,;7.03,-3.32,;5.11,-1.83,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022109117	n/a	n/a	0.0900	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description In a typical experiment, the OXI and OX2 receptor agonist activity is determined in accordance with the following general experimental method. Chines...				Citation and Details BindingDB Entry DOI: 10.7270/Q2C53Q2G
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM559734 (WO2022109117, Example 79) Show SMILES C[C@@H]1C[C@H](NS(C)(=O)=O)[C@@H]2COC3CCC(CC3)c3nc(OCCOC(=O)N12)ccc3C |wD:1.0,3.3,9.29,(-.94,-5.15,;-.57,-3.68,;-1.54,-2.51,;-.73,-1.23,;-1.29,.18,;-2.8,.4,;-4.3,.62,;-3.01,-1.1,;-2.58,1.9,;.74,-1.6,;1.23,-.1,;2.27,1.13,;3.88,1.46,;5.21,2.29,;6.64,1.71,;6.85,.16,;5.55,-.68,;4.18,-.05,;7.96,-1.03,;7.22,-2.39,;7.94,-3.75,;7.07,-5.02,;5.77,-5.85,;4.23,-6.02,;2.75,-5.57,;1.55,-4.55,;.36,-5.49,;.84,-3.12,;9.5,-3.8,;10.24,-2.47,;9.52,-1.13,;10.34,.15,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022109117	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description In a typical experiment, the OXI and OX2 receptor agonist activity is determined in accordance with the following general experimental method. Chines...				Citation and Details BindingDB Entry DOI: 10.7270/Q2C53Q2G
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM559670 (WO2022109117, Example 15 | WO2022109117, Example 1...) Show SMILES C[C@@H]1C[C@H](NS(=O)(=O)N(C)C)[C@@H]2CO[C@H]3CC[C@H](CC3)c3cccc(OCCOC(=O)N12)c3 |wU:14.14,17.16,wD:1.0,3.3,11.33,(16.49,5.93,;16.12,4.46,;17.09,3.29,;16.28,2.01,;16.85,.6,;18.35,.38,;18.57,1.88,;18.13,-1.12,;19.85,.16,;20.41,-1.25,;20.79,1.36,;14.81,2.38,;14.33,.88,;13.29,-.35,;11.68,-.68,;10.35,-1.51,;8.92,-.93,;8.71,.62,;10,1.46,;11.38,.83,;7.6,1.81,;6.04,1.9,;5.32,3.25,;6.06,4.57,;7.61,4.53,;8.49,5.8,;9.79,6.63,;11.33,6.8,;12.81,6.34,;14,5.33,;15.2,6.26,;14.71,3.89,;8.34,3.17,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022109117	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description In a typical experiment, the OXI and OX2 receptor agonist activity is determined in accordance with the following general experimental method. Chines...				Citation and Details BindingDB Entry DOI: 10.7270/Q2C53Q2G
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM559675 (WO2022109117, Example 20) Show SMILES C[C@@H]1C[C@H](NS(=O)(=O)N(C)C)[C@@H]2CO[C@H]3CC[C@H](CC3)c3cccc(OCCCC(=O)N12)c3 |wU:14.14,17.16,wD:1.0,3.3,11.33,(16.31,5.89,;15.93,4.42,;16.91,3.25,;16.1,1.97,;16.66,.56,;18.16,.34,;18.38,1.84,;17.95,-1.16,;19.67,.12,;20.23,-1.29,;20.61,1.32,;14.63,2.34,;14.14,.84,;13.1,-.39,;11.49,-.71,;10.16,-1.55,;8.74,-.97,;8.53,.58,;9.82,1.42,;11.19,.79,;7.42,1.77,;5.85,1.87,;5.14,3.21,;5.88,4.53,;7.43,4.49,;8.3,5.76,;9.6,6.59,;11.14,6.76,;12.62,6.31,;13.82,5.29,;15.01,6.23,;14.53,3.86,;8.15,3.13,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022109117	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description In a typical experiment, the OXI and OX2 receptor agonist activity is determined in accordance with the following general experimental method. Chines...				Citation and Details BindingDB Entry DOI: 10.7270/Q2C53Q2G
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM559745 (WO2022109117, Example 90) Show SMILES C[C@@H]1C[C@H](NS(C)(=O)=O)[C@@H]2COC3CCC(CC3)c3cccc(NCCCOC(=O)N12)n3 |wD:3.3,9.32,1.0,(14.55,5.67,;14.04,4.23,;14.91,2.98,;13.98,1.77,;14.42,.31,;15.9,-.04,;17.38,-.39,;16.25,1.44,;15.55,-1.52,;12.55,2.28,;11.94,.82,;10.79,-.25,;9.24,-.54,;8.97,.97,;7.56,1.52,;6.29,.62,;6.58,-.92,;8.01,-1.5,;5.08,1.72,;3.52,1.63,;2.61,2.86,;3.25,4.25,;4.79,4.45,;5.49,5.86,;6.64,6.89,;8.11,7.33,;9.65,7.2,;11.03,6.5,;12.06,5.32,;13.38,6.09,;12.58,3.8,;5.64,3.17,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022109117	n/a	n/a	0.110	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description In a typical experiment, the OXI and OX2 receptor agonist activity is determined in accordance with the following general experimental method. Chines...				Citation and Details BindingDB Entry DOI: 10.7270/Q2C53Q2G
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM559711 (WO2022109117, Example 56) Show SMILES C[C@@H]1C[C@H](NS(C)(=O)=O)[C@@H]2COC3CCC(CC3)c3ccc(F)c(OCCOC(=O)N12)n3 |wD:1.0,3.3,9.32,(-.41,-5.44,;-.04,-3.96,;-1.01,-2.8,;-.2,-1.51,;-.76,-.1,;-2.27,.12,;-3.77,.33,;-2.49,-1.39,;-2.05,1.62,;1.27,-1.88,;1.76,-.38,;2.79,.85,;4.41,1.17,;5.74,2.01,;7.17,1.43,;7.37,-.13,;6.08,-.96,;4.71,-.33,;8.48,-1.32,;10.05,-1.41,;10.76,-2.76,;10.03,-4.08,;10.78,-5.4,;8.47,-4.04,;7.6,-5.31,;6.3,-6.14,;4.76,-6.31,;3.28,-5.85,;2.08,-4.84,;.88,-5.77,;1.37,-3.4,;7.75,-2.68,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022109117	n/a	n/a	0.110	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description In a typical experiment, the OXI and OX2 receptor agonist activity is determined in accordance with the following general experimental method. Chines...				Citation and Details BindingDB Entry DOI: 10.7270/Q2C53Q2G
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM559657 (WO2022109117, Example 2) Show SMILES C[C@@H]1C[C@H](NS(C)(=O)=O)[C@@H]2CO[C@H]3CC[C@H](CC3)c3ccccc3\C=C/OC(=O)N12 |wU:1.0,3.3,12.17,15.15,9.32,c:26,(7.84,-2.1,;6.55,-1.27,;6.46,.27,;4.97,.66,;4.41,2.09,;5.37,3.29,;6.33,4.5,;6.57,2.33,;4.17,4.26,;4.14,-.64,;2.72,.03,;1.13,.06,;-.2,-.85,;.94,-1.91,;.69,-3.42,;-.71,-4.05,;-1.86,-2.99,;-1.66,-1.45,;-.07,-5.54,;-1.54,-6.01,;-1.86,-7.52,;-.72,-8.55,;.75,-8.08,;1.07,-6.57,;2.72,-6.8,;4.2,-6.14,;5.18,-4.87,;5.49,-3.35,;7.03,-3.32,;5.11,-1.83,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022109117	n/a	n/a	0.110	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description In a typical experiment, the OXI and OX2 receptor agonist activity is determined in accordance with the following general experimental method. Chines...				Citation and Details BindingDB Entry DOI: 10.7270/Q2C53Q2G
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM559712 (WO2022109117, Example 57) Show SMILES C[C@@H]1C[C@H](NS(C)(=O)=O)[C@@H]2COC3CCC(CC3)c3ccc(F)c(OCCCOC(=O)N12)n3 |wD:1.0,3.3,9.33,(16.71,6.34,;16.2,4.9,;17.07,3.65,;16.14,2.44,;16.58,.98,;18.06,.63,;19.54,.28,;18.41,2.11,;17.7,-.85,;14.71,2.95,;14.1,1.49,;12.95,.41,;11.4,.12,;11.13,1.64,;9.71,2.19,;8.45,1.29,;8.74,-.25,;10.17,-.83,;7.24,2.39,;5.68,2.3,;4.77,3.53,;5.41,4.92,;4.51,6.15,;6.95,5.12,;7.65,6.53,;8.8,7.56,;10.27,8.01,;11.81,7.87,;13.19,7.17,;14.22,5.99,;15.54,6.76,;14.74,4.47,;7.8,3.84,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022109117	n/a	n/a	0.130	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description In a typical experiment, the OXI and OX2 receptor agonist activity is determined in accordance with the following general experimental method. Chines...				Citation and Details BindingDB Entry DOI: 10.7270/Q2C53Q2G
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM559747 (WO2022109117, Example 92) Show SMILES C[C@@H]1C[C@H](NS(C)(=O)=O)[C@@H]2COC3CCC(CC3)c3ccc(F)c(NCCOC(=O)N12)n3 |wD:1.0,3.3,9.32,(16.35,5.9,;15.98,4.43,;16.95,3.26,;16.14,1.97,;16.7,.56,;18.21,.35,;19.71,.13,;18.42,1.85,;17.99,-1.16,;14.66,2.35,;14.18,.85,;13.14,-.39,;11.53,-.71,;10.2,-1.55,;8.77,-.97,;8.56,.59,;9.86,1.43,;11.23,.79,;7.45,1.78,;5.89,1.87,;5.17,3.22,;5.91,4.54,;5.16,5.86,;7.46,4.5,;8.34,5.77,;9.64,6.6,;11.18,6.77,;12.66,6.31,;13.86,5.3,;15.05,6.23,;14.56,3.86,;8.19,3.14,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022109117	n/a	n/a	0.130	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description In a typical experiment, the OXI and OX2 receptor agonist activity is determined in accordance with the following general experimental method. Chines...				Citation and Details BindingDB Entry DOI: 10.7270/Q2C53Q2G
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM559673 (WO2022109117, Example 18) Show SMILES C[C@@H]1C[C@H](NS(=O)(=O)N(C)C)[C@@H]2CO[C@H]3CC[C@H](CC3)c3cccc(OCCCOC(=O)N12)c3 |wD:3.3,14.14,17.16,11.34,1.0,(17.24,6.51,;16.73,5.07,;17.59,3.82,;16.67,2.61,;17.1,1.15,;18.58,.8,;18.94,2.28,;18.23,-.68,;20.06,.45,;20.5,-1.01,;21.11,1.55,;15.23,3.12,;14.63,1.66,;13.48,.58,;11.93,.3,;11.66,1.81,;10.25,2.36,;8.98,1.46,;9.27,-.08,;10.7,-.66,;7.77,2.55,;6.21,2.47,;5.3,3.7,;5.95,5.09,;7.48,5.29,;8.19,6.69,;9.33,7.73,;10.8,8.17,;12.34,8.03,;13.72,7.33,;14.75,6.16,;16.07,6.92,;15.27,4.64,;8.33,4.01,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022109117	n/a	n/a	0.140	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description In a typical experiment, the OXI and OX2 receptor agonist activity is determined in accordance with the following general experimental method. Chines...				Citation and Details BindingDB Entry DOI: 10.7270/Q2C53Q2G
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM559759 (WO2022109117, Example 104) Show SMILES COc1cc2OCCOC(=O)N3[C@H](C)C[C@H](NS(=O)(=O)CF)[C@@H]3COC3CCC(CC3)c(c1)n2 |wD:12.12,15.15,22.22,(2.45,1.83,;3.22,3.13,;4.74,3.12,;5.48,4.44,;7.03,4.4,;7.91,5.67,;9.21,6.5,;10.75,6.67,;12.23,6.21,;13.43,5.2,;14.62,6.13,;14.14,3.76,;15.55,4.33,;15.92,5.8,;16.52,3.16,;15.71,1.87,;16.27,.46,;17.78,.25,;17.99,1.75,;17.56,-1.26,;19.28,.03,;19.84,-1.38,;14.24,2.25,;13.75,.75,;12.71,-.49,;11.1,-.81,;9.77,-1.65,;8.34,-1.07,;8.13,.49,;9.43,1.33,;10.8,.69,;7.02,1.68,;5.46,1.77,;7.76,3.04,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022109117	n/a	n/a	0.140	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description In a typical experiment, the OXI and OX2 receptor agonist activity is determined in accordance with the following general experimental method. Chines...				Citation and Details BindingDB Entry DOI: 10.7270/Q2C53Q2G
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM559658 (WO2022109117, Example 3) Show SMILES COC[C@@H]1C[C@H](NS(C)(=O)=O)[C@@H]2CO[C@H]3CC[C@H](CC3)c3cccc(F)c3\C=C/OC(=O)N12 |wU:5.5,14.19,17.17,11.35,3.2,c:29,(9.41,.06,;9.25,-1.48,;7.84,-2.1,;6.55,-1.27,;6.46,.27,;4.97,.66,;4.41,2.09,;5.37,3.29,;6.33,4.5,;6.57,2.33,;4.17,4.26,;4.14,-.64,;2.72,.03,;1.13,.06,;-.2,-.85,;.94,-1.91,;.69,-3.42,;-.71,-4.05,;-1.86,-2.99,;-1.66,-1.45,;-.07,-5.54,;-1.54,-6.01,;-1.86,-7.52,;-.72,-8.55,;.75,-8.08,;1.89,-9.11,;1.07,-6.57,;2.72,-6.8,;4.2,-6.14,;5.18,-4.87,;5.49,-3.35,;7.03,-3.32,;5.11,-1.83,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022109117	n/a	n/a	0.140	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description In a typical experiment, the OXI and OX2 receptor agonist activity is determined in accordance with the following general experimental method. Chines...				Citation and Details BindingDB Entry DOI: 10.7270/Q2C53Q2G
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM559725 (WO2022109117, Example 70) Show SMILES COc1cc2OCCOC(=O)N3[C@H](C)C[C@H](NS(C)(=O)=O)[C@@H]3COC3CCC(CC3)c(c1)n2 |wD:12.12,15.15,21.21,(12.69,-3.91,;11.95,-2.59,;10.43,-2.57,;9.69,-3.9,;8.14,-3.85,;7.26,-5.13,;5.96,-5.96,;4.42,-6.12,;2.94,-5.67,;1.74,-4.66,;.55,-5.59,;1.04,-3.22,;-.38,-3.78,;-.75,-5.26,;-1.35,-2.62,;-.54,-1.33,;-1.1,.08,;-2.6,.3,;-4.11,.52,;-2.82,-1.21,;-2.39,1.8,;.94,-1.7,;1.42,-.2,;2.46,1.03,;4.07,1.36,;5.4,2.19,;6.83,1.61,;7.04,.05,;5.75,-.78,;4.37,-.15,;8.15,-1.14,;9.71,-1.23,;7.41,-2.49,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022109117	n/a	n/a	0.140	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description In a typical experiment, the OXI and OX2 receptor agonist activity is determined in accordance with the following general experimental method. Chines...				Citation and Details BindingDB Entry DOI: 10.7270/Q2C53Q2G
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM559760 (WO2022109117, Example 105) Show SMILES COc1cc2OCCOC(=O)N3[C@H](C)C[C@H](NS(=O)(=O)C(F)F)[C@@H]3COC3CCC(CC3)c(c1)n2 |wD:12.12,15.15,23.23,(2.45,1.83,;3.22,3.13,;4.74,3.12,;5.48,4.44,;7.03,4.4,;7.91,5.67,;9.21,6.5,;10.75,6.67,;12.23,6.21,;13.43,5.2,;14.62,6.13,;14.14,3.76,;15.55,4.33,;15.92,5.8,;16.52,3.16,;15.71,1.87,;16.27,.46,;17.78,.25,;17.99,1.75,;17.56,-1.26,;19.28,.03,;19.84,-1.38,;20.22,1.22,;14.24,2.25,;13.75,.75,;12.71,-.49,;11.1,-.81,;9.77,-1.65,;8.34,-1.07,;8.13,.49,;9.43,1.33,;10.8,.69,;7.02,1.68,;5.46,1.77,;7.76,3.04,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022109117	n/a	n/a	0.140	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description In a typical experiment, the OXI and OX2 receptor agonist activity is determined in accordance with the following general experimental method. Chines...				Citation and Details BindingDB Entry DOI: 10.7270/Q2C53Q2G
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM559736 (WO2022109117, Example 81) Show SMILES C[C@@H]1C[C@H](NS(C)(=O)=O)[C@@H]2COC3CCC(CC3)c3nc(OCCCOC(=O)N12)c(F)cc3F |wD:1.0,3.3,9.30,(15.06,5.83,;14.55,4.4,;15.41,3.14,;14.49,1.93,;14.93,.47,;16.41,.12,;17.89,-.23,;16.76,1.6,;16.06,-1.36,;13.05,2.44,;12.45,.98,;11.3,-.09,;9.74,-.38,;9.48,1.13,;8.06,1.68,;6.79,.78,;7.08,-.76,;8.51,-1.34,;5.58,1.88,;6.14,3.33,;5.29,4.62,;5.99,6.02,;7.14,7.06,;8.62,7.5,;10.16,7.36,;11.54,6.66,;12.57,5.49,;13.89,6.25,;13.09,3.96,;3.75,4.41,;2.85,5.64,;3.11,3.02,;4.02,1.79,;3.37,.41,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022109117	n/a	n/a	0.160	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description In a typical experiment, the OXI and OX2 receptor agonist activity is determined in accordance with the following general experimental method. Chines...				Citation and Details BindingDB Entry DOI: 10.7270/Q2C53Q2G
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM559697 (WO2022109117, Example 42) Show SMILES C[C@@H]1C[C@H](NS(C)(=O)=O)[C@@H]2CO[C@H]3CC[C@H](CC3)c3cc(F)cc(OCCCOC(=O)N12)c3 |wU:1.0,3.3,12.12,15.14,9.33,(18.09,4.06,;16.93,5.05,;17.05,6.57,;15.65,7.15,;15.3,8.63,;16.4,9.68,;17.51,10.72,;17.45,8.57,;15.36,10.78,;14.66,6,;13.41,6.95,;11.87,7.31,;10.39,6.79,;10.91,5.34,;9.96,4.16,;8.42,4.3,;7.9,5.78,;8.84,7,;7.92,2.75,;6.52,2.04,;6.35,.52,;4.96,-.1,;7.6,-.36,;9.03,.24,;10.34,-.63,;11.85,-.95,;13.35,-.6,;14.61,.29,;15.46,1.59,;15.76,3.12,;17.29,3.12,;15.45,4.7,;9.13,1.78,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022109117	n/a	n/a	0.170	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description In a typical experiment, the OXI and OX2 receptor agonist activity is determined in accordance with the following general experimental method. Chines...				Citation and Details BindingDB Entry DOI: 10.7270/Q2C53Q2G
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM559669 (WO2022109117, Example 14) Show SMILES C[C@@H]1C[C@H](NS(=O)(=O)N(C)C)[C@@H]2CO[C@H]3CC[C@H](CC3)c3cccc(OCCCC(=O)N12)c3 |wU:14.14,17.16,wD:1.0,3.3,11.33,(16.68,5.97,;16.31,4.49,;17.28,3.33,;16.47,2.04,;17.03,.63,;18.54,.42,;18.75,1.92,;18.32,-1.09,;20.04,.2,;20.6,-1.21,;20.98,1.39,;15,2.42,;14.51,.92,;13.48,-.31,;11.86,-.64,;10.53,-1.48,;9.11,-.9,;8.9,.66,;10.19,1.5,;11.57,.86,;7.79,1.85,;6.23,1.94,;5.51,3.29,;6.25,4.61,;7.8,4.57,;8.68,5.84,;9.98,6.67,;11.51,6.83,;12.99,6.38,;14.19,5.37,;15.38,6.3,;14.9,3.93,;8.53,3.21,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022109117	n/a	n/a	0.180	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description In a typical experiment, the OXI and OX2 receptor agonist activity is determined in accordance with the following general experimental method. Chines...				Citation and Details BindingDB Entry DOI: 10.7270/Q2C53Q2G
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM559670 (WO2022109117, Example 15 | WO2022109117, Example 1...) Show SMILES C[C@@H]1C[C@H](NS(=O)(=O)N(C)C)[C@@H]2CO[C@H]3CC[C@H](CC3)c3cccc(OCCOC(=O)N12)c3 |wU:14.14,17.16,wD:1.0,3.3,11.33,(16.49,5.93,;16.12,4.46,;17.09,3.29,;16.28,2.01,;16.85,.6,;18.35,.38,;18.57,1.88,;18.13,-1.12,;19.85,.16,;20.41,-1.25,;20.79,1.36,;14.81,2.38,;14.33,.88,;13.29,-.35,;11.68,-.68,;10.35,-1.51,;8.92,-.93,;8.71,.62,;10,1.46,;11.38,.83,;7.6,1.81,;6.04,1.9,;5.32,3.25,;6.06,4.57,;7.61,4.53,;8.49,5.8,;9.79,6.63,;11.33,6.8,;12.81,6.34,;14,5.33,;15.2,6.26,;14.71,3.89,;8.34,3.17,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022109117	n/a	n/a	0.180	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description In a typical experiment, the OXI and OX2 receptor agonist activity is determined in accordance with the following general experimental method. Chines...				Citation and Details BindingDB Entry DOI: 10.7270/Q2C53Q2G
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM559668 (WO2022109117, Example 13) Show SMILES C[C@@H]1C[C@H](NS(=O)(=O)N(C)C)[C@@H]2CO[C@H]3CC[C@H](CC3)c3cccc(OCCCOC(=O)N12)c3 |wD:1.0,3.3,14.14,17.16,11.34,(17.2,6.5,;16.7,5.06,;17.56,3.81,;16.64,2.6,;17.07,1.14,;18.55,.79,;18.91,2.27,;18.2,-.69,;20.03,.44,;20.47,-1.02,;21.08,1.55,;15.2,3.11,;14.6,1.65,;13.45,.58,;11.9,.29,;11.63,1.8,;10.21,2.35,;8.95,1.45,;9.24,-.09,;10.66,-.66,;7.74,2.55,;6.18,2.46,;5.27,3.69,;5.91,5.08,;7.45,5.28,;8.15,6.68,;9.3,7.72,;10.77,8.16,;12.31,8.02,;13.69,7.32,;14.72,6.15,;16.04,6.91,;15.24,4.63,;8.3,4,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022109117	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description In a typical experiment, the OXI and OX2 receptor agonist activity is determined in accordance with the following general experimental method. Chines...				Citation and Details BindingDB Entry DOI: 10.7270/Q2C53Q2G
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM559726 (WO2022109117, Example 71) Show SMILES COc1cc2OCCCOC(=O)N3[C@H](C)C[C@H](NS(C)(=O)=O)[C@@H]3COC3CCC(CC3)c(c1)n2 |wD:13.13,16.16,22.22,(1.33,4.31,;2.22,3.08,;3.74,3.23,;4.38,4.62,;5.92,4.82,;6.63,6.23,;7.78,7.26,;9.25,7.71,;10.79,7.57,;12.17,6.87,;13.2,5.7,;14.52,6.46,;13.72,4.17,;15.18,4.61,;15.69,6.04,;16.05,3.35,;15.12,2.14,;15.56,.68,;17.04,.33,;18.52,-.02,;17.39,1.81,;16.69,-1.15,;13.69,2.65,;13.08,1.19,;11.93,.11,;10.38,-.18,;10.11,1.34,;8.69,1.89,;7.43,.99,;7.71,-.55,;9.14,-1.13,;6.21,2.08,;4.65,2,;6.78,3.54,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022109117	n/a	n/a	0.210	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description In a typical experiment, the OXI and OX2 receptor agonist activity is determined in accordance with the following general experimental method. Chines...				Citation and Details BindingDB Entry DOI: 10.7270/Q2C53Q2G
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM559758 (WO2022109117, Example 103) Show SMILES CCS(=O)(=O)N[C@H]1C[C@@H](C)N2[C@H]1COC1CCC(CC1)c1cc(OC)cc(OCCOC2=O)n1 |wD:8.8,6.5,11.10,(20.04,-1.37,;19.47,.05,;17.96,.27,;18.18,1.78,;17.74,-1.24,;16.45,.49,;15.88,1.9,;16.7,3.2,;15.72,4.37,;16.09,5.85,;14.3,3.8,;14.4,2.28,;13.91,.77,;12.87,-.47,;11.25,-.79,;9.91,-1.64,;8.48,-1.05,;8.27,.51,;9.57,1.35,;10.95,.72,;7.15,1.71,;5.58,1.8,;4.86,3.16,;3.33,3.17,;2.56,1.86,;5.6,4.48,;7.16,4.44,;8.04,5.72,;9.35,6.55,;10.9,6.72,;12.39,6.27,;13.59,5.25,;14.79,6.19,;7.89,3.07,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022109117	n/a	n/a	0.210	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description In a typical experiment, the OXI and OX2 receptor agonist activity is determined in accordance with the following general experimental method. Chines...				Citation and Details BindingDB Entry DOI: 10.7270/Q2C53Q2G
					More data for this Ligand-Target Pair
Melanocyte-stimulating hormone receptor (Mus musculus)	BDBM50354719 (CHEMBL1834391) Show SMILES CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(N)=O |r,wU:26.27,8.10,4.4,74.76,92.96,108.113,wD:14.23,33.33,42.42,52.53,63.65,104.110,(10.67,7.94,;10.68,6.4,;9.35,5.63,;9.35,4.09,;8.01,3.31,;6.68,4.09,;5.35,3.31,;5.35,1.78,;4.01,4.09,;4.01,5.63,;5.35,6.4,;2.68,3.31,;1.35,4.09,;1.35,5.63,;.01,3.31,;.01,1.78,;1.35,1,;2.67,1.77,;4,1.01,;4,-.54,;5.33,-1.31,;2.67,-1.31,;1.35,-.53,;-1.32,4.09,;-2.66,3.31,;-2.66,1.78,;-3.99,4.09,;-5.32,3.31,;-3.99,5.63,;-5.32,6.4,;8.01,1.78,;6.68,1,;9.35,1,;9.35,-.53,;8.01,-1.31,;8.01,-2.84,;6.68,-3.62,;5.35,-2.84,;6.68,-5.15,;10.68,-1.31,;12.02,-.53,;10.68,-2.84,;12.02,-3.62,;12.02,-5.15,;10.68,-5.93,;10.52,-7.46,;9.02,-7.78,;8.25,-6.45,;9.28,-5.3,;13.35,-2.84,;13.35,-1.31,;14.68,-3.62,;16.02,-2.84,;16.02,-1.31,;17.36,-.53,;18.68,-1.3,;20.02,-.53,;20.02,1,;18.68,1.78,;17.36,1,;17.36,-3.62,;17.36,-5.15,;18.69,-2.84,;20.02,-3.62,;20.02,-5.15,;21.35,-5.93,;21.35,-7.46,;22.69,-8.24,;22.69,-9.77,;21.35,-10.55,;24.02,-10.55,;21.35,-2.84,;21.35,-1.31,;22.69,-3.62,;24.02,-2.84,;24.02,-1.31,;25.36,-.53,;26.76,-1.16,;27.79,-.02,;27.03,1.32,;27.5,2.78,;26.48,3.93,;24.97,3.61,;24.49,2.15,;25.52,1,;25.36,-3.62,;25.36,-5.15,;26.7,-2.84,;28.03,-3.62,;29.36,-2.84,;29.36,-1.31,;30.69,-3.62,;32.03,-2.84,;32.03,-1.31,;30.69,-.53,;30.69,1,;32.03,1.78,;32.03,3.31,;33.37,-3.62,;34.7,-2.84,;33.37,-5.15,;32.11,-6.07,;32.59,-7.53,;34.13,-7.53,;34.61,-6.06,;35.91,-5.24,;35.92,-3.7,;37.24,-6.01,;38.58,-5.25,;38.58,-3.72,;39.92,-2.96,;37.26,-2.94,;39.9,-6.04,;39.89,-7.58,;41.24,-5.28,)| Show InChI InChI=1S/C76H109N21O18/c1-4-5-18-51(89-73(113)59(40-99)95-71(111)55(91-65(105)49(78)39-98)33-44-23-25-47(100)26-24-44)67(107)90-53(27-28-62(102)103)69(109)94-58(35-46-37-82-41-86-46)72(112)92-56(32-43-15-7-6-8-16-43)70(110)88-52(21-13-30-83-76(80)81)68(108)93-57(34-45-36-84-50-19-10-9-17-48(45)50)66(106)85-38-61(101)87-54(20-11-12-29-77)75(115)97-31-14-22-60(97)74(114)96-63(42(2)3)64(79)104/h6-10,15-17,19,23-26,36-37,41-42,49,51-60,63,84,98-100H,4-5,11-14,18,20-22,27-35,38-40,77-78H2,1-3H3,(H2,79,104)(H,82,86)(H,85,106)(H,87,101)(H,88,110)(H,89,113)(H,90,107)(H,91,105)(H,92,112)(H,93,108)(H,94,109)(H,95,111)(H,96,114)(H,102,103)(H4,80,81,83)/t49-,51-,52-,53-,54-,55-,56+,57-,58-,59-,60-,63-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.210	n/a	n/a	n/a	n/a	n/a	n/a
The University of Iowa Curated by ChEMBL					Assay Description Displacement of [125I]-[Nle4-D-Phe7]-alpha-MSH from MC1R in mouse B16-F10 cells after 1.5 hrs by gamma counting				Bioorg Med Chem Lett 21: 5757-61 (2011) Article DOI: 10.1016/j.bmcl.2011.08.017 BindingDB Entry DOI: 10.7270/Q2H132DZ
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM559722 (WO2022109117, Example 67) Show SMILES C[C@@H]1C[C@H](NS(C)(=O)=O)[C@@H]2COC3CCC(CC3)c3cc(C)cc(OCCCOC(=O)N12)n3 |wD:1.0,3.3,9.33,(15.92,6.11,;15.41,4.68,;16.28,3.42,;15.35,2.21,;15.79,.75,;17.27,.4,;18.75,.05,;17.62,1.88,;16.92,-1.08,;13.92,2.72,;13.31,1.26,;12.16,.18,;10.61,-.11,;10.34,1.41,;8.92,1.96,;7.66,1.06,;7.94,-.48,;9.37,-1.06,;6.44,2.16,;4.88,2.07,;3.97,3.3,;2.45,3.15,;4.61,4.69,;6.15,4.9,;6.86,6.3,;8.01,7.34,;9.48,7.78,;11.02,7.64,;12.4,6.94,;13.43,5.77,;14.75,6.53,;13.95,4.24,;7.01,3.61,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022109117	n/a	n/a	0.220	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description In a typical experiment, the OXI and OX2 receptor agonist activity is determined in accordance with the following general experimental method. Chines...				Citation and Details BindingDB Entry DOI: 10.7270/Q2C53Q2G
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM559735 (WO2022109117, Example 80) Show SMILES C[C@@H]1C[C@H](NS(C)(=O)=O)[C@@H]2COC3CCC(CC3)c3ccc(C)c(OCCCOC(=O)N12)n3 |wD:1.0,3.3,9.33,(15.17,5.87,;14.66,4.43,;15.53,3.18,;14.6,1.97,;15.04,.51,;16.52,.16,;18,-.2,;16.87,1.64,;16.17,-1.33,;13.17,2.47,;12.56,1.02,;11.41,-.06,;9.86,-.35,;9.59,1.17,;8.17,1.71,;6.91,.82,;7.19,-.73,;8.62,-1.3,;5.69,1.91,;4.13,1.83,;3.22,3.06,;3.86,4.45,;2.96,5.68,;5.4,4.65,;6.11,6.05,;7.26,7.09,;8.73,7.54,;10.27,7.4,;11.65,6.7,;12.68,5.52,;14,6.29,;13.2,4,;6.26,3.36,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022109117	n/a	n/a	0.230	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description In a typical experiment, the OXI and OX2 receptor agonist activity is determined in accordance with the following general experimental method. Chines...				Citation and Details BindingDB Entry DOI: 10.7270/Q2C53Q2G
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM559677 (WO2022109117, Example 22) Show SMILES C[C@@H]1C[C@H](NS(=O)(=O)N(C)C)[C@@H]2CO[C@H]3CC[C@H](CC3)c3cccc(CCCCCC(=O)N12)c3 |wD:3.3,14.14,17.16,11.34,1.0,(16.59,6.33,;16.09,4.9,;16.95,3.65,;16.03,2.44,;16.46,.99,;17.93,.64,;18.28,2.11,;17.58,-.83,;19.41,.29,;19.84,-1.16,;20.45,1.39,;14.6,2.95,;13.99,1.5,;12.85,.42,;11.3,.14,;11.04,1.65,;9.62,2.19,;8.37,1.3,;8.65,-.24,;10.07,-.81,;7.16,2.39,;5.61,2.3,;4.7,3.53,;5.34,4.91,;6.87,5.11,;7.57,6.51,;8.71,7.54,;10.18,7.98,;11.71,7.85,;13.09,7.15,;14.12,5.98,;15.43,6.74,;14.63,4.46,;7.72,3.83,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022109117	n/a	n/a	0.230	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description In a typical experiment, the OXI and OX2 receptor agonist activity is determined in accordance with the following general experimental method. Chines...				Citation and Details BindingDB Entry DOI: 10.7270/Q2C53Q2G
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM559729 (WO2022109117, Example 74) Show SMILES COc1cc2nc(OCCOC(=O)N3[C@H](C)C[C@H](NS(C)(=O)=O)[C@@H]3COC3CCC2CC3)c1F |wD:14.14,17.17,23.23,(12.59,-3.85,;11.84,-2.53,;10.32,-2.51,;9.61,-1.17,;8.05,-1.08,;7.31,-2.43,;8.04,-3.79,;7.16,-5.06,;5.86,-5.89,;4.32,-6.06,;2.84,-5.61,;1.65,-4.59,;.45,-5.53,;.94,-3.16,;-.47,-3.72,;-.84,-5.19,;-1.44,-2.56,;-.63,-1.27,;-1.2,.14,;-2.7,.36,;-4.2,.57,;-2.92,-1.15,;-2.48,1.86,;.84,-1.64,;1.32,-.14,;2.36,1.09,;3.97,1.41,;5.3,2.25,;6.73,1.67,;6.94,.11,;5.64,-.73,;4.27,-.09,;9.59,-3.84,;10.34,-5.16,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022109117	n/a	n/a	0.240	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description In a typical experiment, the OXI and OX2 receptor agonist activity is determined in accordance with the following general experimental method. Chines...				Citation and Details BindingDB Entry DOI: 10.7270/Q2C53Q2G
					More data for this Ligand-Target Pair
Melanocyte-stimulating hormone receptor (Mus musculus)	BDBM50354718 (CHEMBL1834392) Show SMILES CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NCCCCCCN=[N+]=[N-])C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(N)=O |r,wU:26.29,8.10,4.4,83.85,101.105,117.122,wD:14.23,42.42,51.51,61.62,72.74,113.119,(18.25,-8.83,;18.25,-10.37,;16.92,-11.14,;16.92,-12.68,;15.59,-13.46,;14.26,-12.68,;12.92,-13.46,;12.92,-14.99,;11.58,-12.68,;11.58,-11.14,;12.92,-10.37,;10.25,-13.46,;8.92,-12.68,;8.92,-11.14,;7.58,-13.46,;7.58,-14.99,;8.92,-15.77,;10.25,-15,;11.57,-15.76,;11.57,-17.31,;12.9,-18.08,;10.24,-18.08,;8.92,-17.3,;6.25,-12.68,;4.91,-13.46,;4.91,-14.99,;3.58,-12.68,;3.58,-11.14,;2.25,-10.37,;2.25,-13.46,;.91,-12.69,;-.41,-13.46,;-1.75,-12.7,;-3.08,-13.47,;-4.4,-12.71,;-5.73,-13.48,;-7.06,-12.72,;-8.6,-12.71,;-10.14,-12.7,;15.59,-14.99,;14.26,-15.77,;16.92,-15.77,;16.92,-17.3,;15.59,-18.08,;15.59,-19.61,;14.26,-20.39,;12.92,-19.61,;14.26,-21.93,;18.25,-18.08,;19.59,-17.3,;18.25,-19.61,;19.59,-20.39,;19.59,-21.93,;18.25,-22.7,;18.1,-24.23,;16.59,-24.55,;15.82,-23.22,;16.86,-22.07,;20.93,-19.61,;20.93,-18.08,;22.26,-20.39,;23.59,-19.61,;23.59,-18.08,;24.93,-17.3,;26.26,-18.08,;27.59,-17.3,;27.59,-15.77,;26.26,-14.99,;24.93,-15.77,;24.93,-20.39,;24.93,-21.93,;26.27,-19.61,;27.6,-20.39,;27.6,-21.93,;28.93,-22.7,;28.93,-24.24,;30.27,-25.01,;30.27,-26.55,;28.93,-27.33,;31.6,-27.33,;28.93,-19.61,;28.93,-18.08,;30.27,-20.39,;31.6,-19.61,;31.6,-18.08,;32.94,-17.3,;34.34,-17.93,;35.38,-16.79,;34.61,-15.45,;35.09,-13.99,;34.06,-12.84,;32.55,-13.16,;32.07,-14.62,;33.1,-15.77,;32.94,-20.39,;32.94,-21.93,;34.28,-19.61,;35.61,-20.39,;36.94,-19.61,;36.94,-18.08,;38.28,-20.39,;39.61,-19.61,;39.61,-18.08,;38.28,-17.3,;38.28,-15.77,;39.61,-14.99,;39.61,-13.46,;40.95,-20.39,;42.28,-19.61,;40.95,-21.93,;39.7,-22.84,;40.17,-24.3,;41.71,-24.3,;42.2,-22.84,;43.49,-22.01,;43.5,-20.47,;44.82,-22.79,;46.16,-22.03,;46.17,-20.49,;47.51,-19.73,;44.84,-19.71,;47.49,-22.81,;47.47,-24.35,;48.83,-22.05,)| Show InChI InChI=1S/C82H120N24O18/c1-4-5-22-56(97-79(122)65(46-108)103-76(119)61(39-50-27-29-53(109)30-28-50)100-78(121)64(45-107)89-34-15-6-7-16-36-94-105-87)72(115)98-58(31-32-68(111)112)74(117)102-63(41-52-43-88-47-93-52)77(120)99-60(38-49-19-9-8-10-20-49)75(118)96-57(25-17-35-90-82(85)86)73(116)101-62(40-51-42-91-55-23-12-11-21-54(51)55)71(114)92-44-67(110)95-59(24-13-14-33-83)81(124)106-37-18-26-66(106)80(123)104-69(48(2)3)70(84)113/h8-12,19-21,23,27-30,42-43,47-48,56-66,69,89,91,107-109H,4-7,13-18,22,24-26,31-41,44-46,83H2,1-3H3,(H2,84,113)(H,88,93)(H,92,114)(H,95,110)(H,96,118)(H,97,122)(H,98,115)(H,99,120)(H,100,121)(H,101,116)(H,102,117)(H,103,119)(H,104,123)(H,111,112)(H4,85,86,90)/t56-,57-,58-,59-,60+,61-,62-,63-,64-,65-,66-,69-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.25	n/a	n/a	n/a	n/a	n/a	n/a
The University of Iowa Curated by ChEMBL					Assay Description Displacement of [125I]-[Nle4-D-Phe7]-alpha-MSH from MC1R in mouse B16-F10 cells after 1.5 hrs by gamma counting				Bioorg Med Chem Lett 21: 5757-61 (2011) Article DOI: 10.1016/j.bmcl.2011.08.017 BindingDB Entry DOI: 10.7270/Q2H132DZ
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM559702 (WO2022109117, Example 47) Show SMILES C[C@@H]1C[C@H](NS(C)(=O)=O)[C@@H]2COC3CCC(CC3)c3cccc(OCCCOC(=O)N12)c3F |wD:1.0,3.3,9.32,(17.42,6.56,;16.91,5.12,;17.78,3.87,;16.85,2.66,;17.29,1.2,;18.77,.85,;20.25,.5,;19.12,2.33,;18.41,-.63,;15.42,3.17,;14.81,1.71,;13.66,.63,;12.11,.34,;11.84,1.86,;10.43,2.41,;9.17,1.51,;9.45,-.03,;10.88,-.61,;7.95,2.6,;6.39,2.52,;5.48,3.75,;6.13,5.14,;7.66,5.34,;8.37,6.74,;9.51,7.78,;10.98,8.22,;12.52,8.08,;13.9,7.38,;14.93,6.21,;16.25,6.97,;15.45,4.69,;8.51,4.06,;10.03,4.22,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022109117	n/a	n/a	0.25	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description In a typical experiment, the OXI and OX2 receptor agonist activity is determined in accordance with the following general experimental method. Chines...				Citation and Details BindingDB Entry DOI: 10.7270/Q2C53Q2G
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM559721 (WO2022109117, Example 66) Show SMILES C[C@@H]1C[C@H](NS(C)(=O)=O)[C@@H]2COC3CCC(CC3)c3cc(C)cc(OCCOC(=O)N12)n3 |wD:1.0,3.3,9.32,(-.66,-5.3,;-.28,-3.83,;-1.26,-2.66,;-.45,-1.37,;-1.01,.04,;-2.51,.25,;-4.02,.47,;-2.73,-1.25,;-2.3,1.76,;1.03,-1.75,;1.51,-.25,;2.55,.98,;4.16,1.31,;5.49,2.15,;6.92,1.57,;7.13,.01,;5.84,-.83,;4.46,-.19,;8.24,-1.18,;9.8,-1.27,;10.52,-2.62,;12.04,-2.64,;9.78,-3.94,;8.23,-3.9,;7.35,-5.17,;6.05,-6,;4.51,-6.17,;3.03,-5.71,;1.84,-4.7,;.64,-5.63,;1.13,-3.26,;7.5,-2.54,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022109117	n/a	n/a	0.270	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description In a typical experiment, the OXI and OX2 receptor agonist activity is determined in accordance with the following general experimental method. Chines...				Citation and Details BindingDB Entry DOI: 10.7270/Q2C53Q2G
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM559699 (WO2022109117, Example 44) Show SMILES C[C@@H]1C[C@H](NS(C)(=O)=O)[C@@H]2COC3CCC(CC3)c3cc(F)cc(OCCCCC(=O)N12)c3 |wD:1.0,3.3,9.33,(17.39,6.55,;16.89,5.11,;17.75,3.86,;16.83,2.66,;17.26,1.2,;18.74,.85,;20.22,.5,;19.09,2.33,;18.39,-.63,;15.4,3.16,;14.79,1.71,;13.64,.63,;12.09,.34,;11.83,1.86,;10.41,2.4,;9.15,1.51,;9.44,-.03,;10.86,-.61,;7.94,2.6,;6.38,2.52,;5.47,3.74,;3.96,3.59,;6.12,5.13,;7.65,5.33,;8.36,6.73,;9.5,7.77,;10.97,8.21,;12.51,8.07,;13.89,7.37,;14.91,6.2,;16.23,6.96,;15.43,4.68,;8.5,4.05,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022109117	n/a	n/a	0.280	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description In a typical experiment, the OXI and OX2 receptor agonist activity is determined in accordance with the following general experimental method. Chines...				Citation and Details BindingDB Entry DOI: 10.7270/Q2C53Q2G
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM559746 (WO2022109117, Example 91) Show SMILES C[C@@H]1C[C@H](NS(C)(=O)=O)[C@@H]2COC3CCC(CC3)c3cccc(n3)N(C)CCCOC(=O)N12 |wD:3.3,9.35,1.0,(14.34,5.61,;13.83,4.17,;14.7,2.92,;13.77,1.71,;14.21,.25,;15.69,-.1,;17.17,-.45,;16.04,1.38,;15.34,-1.58,;12.34,2.22,;11.73,.76,;10.58,-.32,;9.03,-.61,;8.76,.91,;7.34,1.46,;6.08,.56,;6.37,-.98,;7.79,-1.56,;4.87,1.65,;3.31,1.57,;2.39,2.8,;3.04,4.19,;4.57,4.39,;5.43,3.11,;5.28,5.8,;4.07,6.72,;6.43,6.83,;7.9,7.27,;9.44,7.14,;10.82,6.44,;11.85,5.26,;13.17,6.03,;12.37,3.74,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022109117	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description In a typical experiment, the OXI and OX2 receptor agonist activity is determined in accordance with the following general experimental method. Chines...				Citation and Details BindingDB Entry DOI: 10.7270/Q2C53Q2G
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM559665 (WO2022109117, Example 10) Show SMILES C[C@@H]1C[C@H](NS(=O)(=O)N(C)C)[C@@H]2CO[C@H]3CC[C@H](CC3)c3cccc(OCCCCC(=O)N12)c3 |wD:1.0,3.3,14.14,17.16,11.34,(17.39,6.55,;16.89,5.11,;17.75,3.86,;16.83,2.66,;17.26,1.2,;18.74,.85,;19.09,2.33,;18.39,-.63,;20.22,.5,;20.65,-.96,;21.26,1.6,;15.4,3.16,;14.79,1.71,;13.64,.63,;12.09,.34,;11.83,1.86,;10.41,2.4,;9.15,1.51,;9.44,-.03,;10.86,-.61,;7.94,2.6,;6.38,2.52,;5.47,3.74,;6.12,5.13,;7.65,5.33,;8.36,6.73,;9.5,7.77,;10.97,8.21,;12.51,8.07,;13.89,7.37,;14.91,6.2,;16.23,6.96,;15.43,4.68,;8.5,4.05,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022109117	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description In a typical experiment, the OXI and OX2 receptor agonist activity is determined in accordance with the following general experimental method. Chines...				Citation and Details BindingDB Entry DOI: 10.7270/Q2C53Q2G
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM559674 (WO2022109117, Example 19) Show SMILES C[C@@H]1C[C@H](NS(=O)(=O)N(C)C)[C@@H]2CO[C@H]3CC[C@H](CC3)c3cccc(OCCCCC(=O)N12)c3 |wD:3.3,14.14,17.16,11.34,1.0,(17.21,6.5,;16.71,5.07,;17.57,3.81,;16.65,2.61,;17.08,1.15,;18.56,.8,;18.91,2.28,;18.21,-.68,;20.04,.45,;20.47,-1.01,;21.08,1.55,;15.21,3.11,;14.61,1.66,;13.46,.58,;11.91,.29,;11.65,1.81,;10.23,2.36,;8.97,1.46,;9.26,-.08,;10.68,-.66,;7.76,2.55,;6.2,2.47,;5.29,3.7,;5.94,5.08,;7.47,5.28,;8.17,6.68,;9.32,7.72,;10.79,8.16,;12.33,8.02,;13.7,7.32,;14.73,6.15,;16.05,6.91,;15.25,4.63,;8.32,4,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022109117	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description In a typical experiment, the OXI and OX2 receptor agonist activity is determined in accordance with the following general experimental method. Chines...				Citation and Details BindingDB Entry DOI: 10.7270/Q2C53Q2G
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM559713 (WO2022109117, Example 58) Show SMILES C[C@@H]1C[C@H](NS(C)(=O)=O)[C@@H]2COC3CCC(CC3)c3nc(OCCOC(=O)N12)ccc3OC(F)(F)F |wD:1.0,3.3,9.29,(-.46,-5.42,;-.09,-3.95,;-1.06,-2.78,;-.25,-1.49,;-.81,-.07,;-2.32,.15,;-3.83,.36,;-2.54,-1.36,;-2.1,1.65,;1.23,-1.86,;1.71,-.36,;2.75,.88,;4.37,1.21,;5.71,2.05,;7.14,1.46,;7.35,-.1,;6.05,-.94,;4.67,-.3,;8.46,-1.29,;7.72,-2.65,;8.45,-4.02,;7.57,-5.29,;6.27,-6.12,;4.72,-6.29,;3.24,-5.84,;2.04,-4.82,;.84,-5.76,;1.33,-3.38,;10.01,-4.06,;10.74,-2.73,;10.03,-1.38,;10.85,-.1,;10.15,1.25,;8.63,1.32,;10.98,2.53,;11.67,1.18,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022109117	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description In a typical experiment, the OXI and OX2 receptor agonist activity is determined in accordance with the following general experimental method. Chines...				Citation and Details BindingDB Entry DOI: 10.7270/Q2C53Q2G
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM559751 (WO2022109117, Example 96) Show SMILES CS(=O)(=O)N[C@H]1C[C@@H](CO)N2[C@H]1COC1CCC(CC1)c1nc(OCCOC2=O)ccc1C(F)(F)F |wD:7.7,5.4,11.10,(19.65,.09,;18.14,.31,;18.36,1.82,;17.92,-1.2,;16.62,.53,;16.06,1.95,;16.87,3.24,;15.89,4.42,;16.27,5.9,;15.17,6.96,;14.48,3.85,;14.58,2.32,;14.09,.81,;13.05,-.42,;11.42,-.75,;10.09,-1.59,;8.65,-1.01,;8.44,.56,;9.74,1.4,;11.12,.76,;7.33,1.75,;8.07,3.12,;7.34,4.49,;8.22,5.76,;9.52,6.6,;11.07,6.77,;12.56,6.31,;13.76,5.29,;14.97,6.23,;5.77,4.53,;5.03,3.2,;5.75,1.85,;4.93,.56,;3.4,.63,;5.63,-.8,;6.45,.49,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022109117	n/a	n/a	0.320	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description In a typical experiment, the OXI and OX2 receptor agonist activity is determined in accordance with the following general experimental method. Chines...				Citation and Details BindingDB Entry DOI: 10.7270/Q2C53Q2G
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM559700 (WO2022109117, Example 45) Show SMILES C[C@@H]1C[C@H](NS(C)(=O)=O)[C@@H]2COC3CCC(CC3)c3cc(F)cc(OCCCOC(=O)N12)c3 |wD:1.0,3.3,9.33,(17.42,6.56,;16.91,5.12,;17.78,3.87,;16.85,2.66,;17.29,1.2,;18.77,.85,;20.25,.5,;19.12,2.33,;18.41,-.63,;15.42,3.17,;14.81,1.71,;13.66,.63,;12.11,.34,;11.84,1.86,;10.43,2.41,;9.17,1.51,;9.45,-.03,;10.88,-.61,;7.95,2.6,;6.39,2.52,;5.48,3.75,;3.97,3.6,;6.13,5.14,;7.66,5.34,;8.37,6.74,;9.51,7.78,;10.98,8.22,;12.52,8.08,;13.9,7.38,;14.93,6.21,;16.25,6.97,;15.45,4.69,;8.51,4.06,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022109117	n/a	n/a	0.320	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description In a typical experiment, the OXI and OX2 receptor agonist activity is determined in accordance with the following general experimental method. Chines...				Citation and Details BindingDB Entry DOI: 10.7270/Q2C53Q2G
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM559723 (WO2022109117, Example 68) Show SMILES C[C@@H]1C[C@H](NS(C)(=O)=O)[C@@H]2COC3CCC(CC3)c3nc(OCCOC(=O)N12)ccc3C(F)(F)F |wD:1.0,3.3,9.29,(-.72,-5.3,;-.34,-3.82,;-1.32,-2.65,;-.5,-1.35,;-1.07,.06,;-2.58,.28,;-4.09,.5,;-2.8,-1.23,;-2.36,1.79,;.98,-1.73,;1.46,-.22,;2.51,1.02,;4.13,1.34,;5.46,2.19,;6.9,1.6,;7.11,.04,;5.81,-.81,;4.43,-.17,;8.22,-1.16,;7.48,-2.52,;8.21,-3.89,;7.33,-5.17,;6.03,-6,;4.48,-6.17,;2.99,-5.72,;1.79,-4.7,;.59,-5.63,;1.08,-3.25,;9.77,-3.93,;10.51,-2.6,;9.8,-1.25,;10.62,.03,;9.92,1.39,;12.14,-.04,;11.32,-1.32,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022109117	n/a	n/a	0.330	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description In a typical experiment, the OXI and OX2 receptor agonist activity is determined in accordance with the following general experimental method. Chines...				Citation and Details BindingDB Entry DOI: 10.7270/Q2C53Q2G
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM559696 (WO2022109117, Example 41) Show SMILES C[C@@H]1C[C@H](NS(C)(=O)=O)[C@@H]2CO[C@@H]3CCC(=CC3)c3cc(F)cc(OCCCOC(=O)N12)c3 |c:15| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022109117	n/a	n/a	0.340	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description In a typical experiment, the OXI and OX2 receptor agonist activity is determined in accordance with the following general experimental method. Chines...				Citation and Details BindingDB Entry DOI: 10.7270/Q2C53Q2G
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM559748 (WO2022109117, Example 93) Show SMILES C[C@@H]1C[C@H](NS(C)(=O)=O)[C@@H]2COC3CCC(CC3)c3ccc(F)c(NCCCOC(=O)N12)n3 |wD:3.3,9.33,1.0,(14.23,5.58,;13.73,4.14,;14.59,2.89,;13.67,1.68,;14.1,.22,;15.58,-.13,;17.07,-.48,;15.94,1.35,;15.23,-1.61,;12.23,2.18,;11.62,.73,;10.48,-.35,;8.92,-.64,;8.66,.88,;7.24,1.43,;5.98,.53,;6.26,-1.01,;7.69,-1.59,;4.76,1.62,;3.2,1.54,;2.29,2.77,;2.93,4.16,;2.03,5.39,;4.47,4.36,;5.18,5.76,;6.32,6.8,;7.8,7.24,;9.34,7.11,;10.72,6.4,;11.75,5.23,;13.07,5.99,;12.27,3.71,;5.32,3.07,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022109117	n/a	n/a	0.340	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description In a typical experiment, the OXI and OX2 receptor agonist activity is determined in accordance with the following general experimental method. Chines...				Citation and Details BindingDB Entry DOI: 10.7270/Q2C53Q2G
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM559741 (WO2022109117, Example 86) Show SMILES C[C@@H]1C[C@H](NS(C)(=O)=O)[C@@H]2COC3CCC(CC3)c3cc(cc(OCCCOC(=O)N12)n3)C(F)F |wD:3.3,9.32,1.0,(14.65,5.71,;14.15,4.27,;15.01,3.01,;14.09,1.8,;14.52,.34,;16,-.01,;17.49,-.36,;16.36,1.47,;15.65,-1.49,;12.65,2.31,;12.04,.86,;10.89,-.22,;9.34,-.51,;9.07,1,;7.66,1.55,;6.39,.66,;6.68,-.89,;8.11,-1.47,;5.18,1.75,;3.62,1.66,;2.7,2.89,;3.35,4.28,;4.88,4.49,;5.59,5.89,;6.74,6.93,;8.21,7.37,;9.76,7.23,;11.14,6.53,;12.17,5.36,;13.49,6.12,;12.69,3.83,;5.74,3.2,;1.19,2.74,;.3,3.97,;.56,1.35,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022109117	n/a	n/a	0.340	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description In a typical experiment, the OXI and OX2 receptor agonist activity is determined in accordance with the following general experimental method. Chines...				Citation and Details BindingDB Entry DOI: 10.7270/Q2C53Q2G
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM559667 (WO2022109117, Example 12) Show SMILES C[C@@H]1C[C@H](NS(=O)(=O)N(C)C)[C@@H]2CO[C@H]3CC[C@H](CC3)c3cccc(CCCCCC(=O)N12)c3 |wD:1.0,3.3,14.14,17.16,11.34,(17.35,6.53,;16.85,5.1,;17.71,3.85,;16.79,2.65,;17.22,1.2,;18.69,.85,;19.05,2.32,;18.34,-.63,;20.17,.5,;20.6,-.96,;21.21,1.6,;15.36,3.15,;14.75,1.71,;13.61,.63,;12.06,.34,;11.8,1.85,;10.39,2.4,;9.13,1.51,;9.42,-.03,;10.84,-.6,;7.92,2.59,;6.37,2.51,;5.46,3.74,;6.1,5.12,;7.63,5.32,;8.33,6.72,;9.48,7.75,;10.94,8.19,;12.48,8.05,;13.85,7.35,;14.88,6.19,;16.19,6.95,;15.39,4.67,;8.48,4.04,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022109117	n/a	n/a	0.340	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description In a typical experiment, the OXI and OX2 receptor agonist activity is determined in accordance with the following general experimental method. Chines...				Citation and Details BindingDB Entry DOI: 10.7270/Q2C53Q2G
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM559659 (WO2022109117, Example 4) Show SMILES C[C@@H]1C[C@H](NS(=O)(=O)N(C)C)[C@@H]2CO[C@H]3CC[C@H](CC3)c3ccccc3CCOC(=O)N12 |wU:3.3,14.19,17.17,11.34,1.0,(7.84,-2.1,;6.55,-1.27,;6.46,.27,;4.97,.66,;4.41,2.09,;5.37,3.29,;6.57,2.33,;4.17,4.26,;6.33,4.5,;5.77,5.93,;7.86,4.26,;4.14,-.64,;2.72,.03,;1.13,.06,;-.2,-.85,;.94,-1.91,;.69,-3.42,;-.71,-4.05,;-1.86,-2.99,;-1.66,-1.45,;-.07,-5.54,;-1.54,-6.01,;-1.86,-7.52,;-.72,-8.55,;.75,-8.08,;1.07,-6.57,;2.72,-6.8,;4.2,-6.14,;5.18,-4.87,;5.49,-3.35,;7.03,-3.32,;5.11,-1.83,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022109117	n/a	n/a	0.370	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description In a typical experiment, the OXI and OX2 receptor agonist activity is determined in accordance with the following general experimental method. Chines...				Citation and Details BindingDB Entry DOI: 10.7270/Q2C53Q2G
					More data for this Ligand-Target Pair

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