Compile Data Set for Download or QSAR

Found 3549 hits with Last Name = 'hartman' and Initial = 'gd'   

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
Somatostatin receptor type 2 (Homo sapiens (Human))	BDBM50341575 (7-Chloro-3-(3,5-dimethylphenyl)-6-(1-methyl-1H-pyr...) Show SMILES Cc1cc(C)cc(c1)-c1cnc2cc(Cl)c(cc2c1OCC[C@H]1CCCCN1)-c1cnn(C)c1 |r| Show InChI InChI=1S/C28H31ClN4O/c1-18-10-19(2)12-20(11-18)25-16-31-27-14-26(29)23(21-15-32-33(3)17-21)13-24(27)28(25)34-9-7-22-6-4-5-8-30-22/h10-17,22,30H,4-9H2,1-3H3/t22-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.0250	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of I125-somatostatin-14 from human SST2 expressed in CHO cells after 3 hrs by scintillation counting				J Med Chem 54: 2351-8 (2011) Article DOI: 10.1021/jm101501b BindingDB Entry DOI: 10.7270/Q2668DH8
					More data for this Ligand-Target Pair
Somatostatin receptor type 2 (Homo sapiens (Human))	BDBM50341578 (3-[4-(3-Aminopropoxy)-7-chloro-3-(3,5-dimethylphen...) Show SMILES Cc1cc(C)cc(c1)-c1cnc2cc(Cl)c(cc2c1OCCCN)-c1cccc(O)c1 Show InChI InChI=1S/C26H25ClN2O2/c1-16-9-17(2)11-19(10-16)23-15-29-25-14-24(27)21(18-5-3-6-20(30)12-18)13-22(25)26(23)31-8-4-7-28/h3,5-6,9-15,30H,4,7-8,28H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.0250	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of I125-somatostatin-14 from human SST2 expressed in CHO cells after 3 hrs by scintillation counting				J Med Chem 54: 2351-8 (2011) Article DOI: 10.1021/jm101501b BindingDB Entry DOI: 10.7270/Q2668DH8
					More data for this Ligand-Target Pair
Somatostatin receptor type 2 (Homo sapiens (Human))	BDBM50341572 (3-[7-Chloro-3-(3,5-dimethylphenyl)-4-{2-[(2R)-pipe...) Show SMILES Cc1cc(C)cc(c1)-c1cnc2cc(Cl)c(cc2c1OCC[C@H]1CCCCN1)-c1cccc(O)c1 |r| Show InChI InChI=1S/C30H31ClN2O2/c1-19-12-20(2)14-22(13-19)27-18-33-29-17-28(31)25(21-6-5-8-24(34)15-21)16-26(29)30(27)35-11-9-23-7-3-4-10-32-23/h5-6,8,12-18,23,32,34H,3-4,7,9-11H2,1-2H3/t23-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.0370	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of I125-somatostatin-14 from human SST2 expressed in CHO cells after 3 hrs by scintillation counting				J Med Chem 54: 2351-8 (2011) Article DOI: 10.1021/jm101501b BindingDB Entry DOI: 10.7270/Q2668DH8
					More data for this Ligand-Target Pair
Somatostatin receptor type 2 (Homo sapiens (Human))	BDBM50341574 (3-{7-Chloro-3-(3,5-dimethylphenyl)-4-[2-(piperidin...) Show SMILES Cc1cc(C)cc(c1)-c1cnc2cc(Cl)c(cc2c1OCC[C@H]1CCCCN1)-c1ccc(cc1)C(N)=O |r| Show InChI InChI=1S/C31H32ClN3O2/c1-19-13-20(2)15-23(14-19)27-18-35-29-17-28(32)25(21-6-8-22(9-7-21)31(33)36)16-26(29)30(27)37-12-10-24-5-3-4-11-34-24/h6-9,13-18,24,34H,3-5,10-12H2,1-2H3,(H2,33,36)/t24-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.0380	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of I125-somatostatin-14 from human SST2 expressed in CHO cells after 3 hrs by scintillation counting				J Med Chem 54: 2351-8 (2011) Article DOI: 10.1021/jm101501b BindingDB Entry DOI: 10.7270/Q2668DH8
					More data for this Ligand-Target Pair
Somatostatin receptor type 2 (Homo sapiens (Human))	BDBM50341562 (7-chloro-6-(4-chlorophenyl)-3-(3,5-dimethylphenyl)...) Show SMILES Cc1cc(C)cc(c1)C1=C(OCCC2CCCCN2)c2cc(c(Cl)cc2NC1)-c1ccc(Cl)cc1 |c:9| Show InChI InChI=1S/C30H32Cl2N2O/c1-19-13-20(2)15-22(14-19)27-18-34-29-17-28(32)25(21-6-8-23(31)9-7-21)16-26(29)30(27)35-12-10-24-5-3-4-11-33-24/h6-9,13-17,24,33-34H,3-5,10-12,18H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0620	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of I125-somatostatin-14 from human SST2 expressed in CHO cells after 3 hrs by scintillation counting				J Med Chem 54: 2351-8 (2011) Article DOI: 10.1021/jm101501b BindingDB Entry DOI: 10.7270/Q2668DH8
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50444605 (CHEMBL3099899) Show SMILES COc1ccc(CNC(=O)c2cc(cnc2-c2cccnc2)-c2cc(Cl)cc(Cl)c2)cc1OC Show InChI InChI=1S/C26H21Cl2N3O3/c1-33-23-6-5-16(8-24(23)34-2)13-31-26(32)22-11-19(18-9-20(27)12-21(28)10-18)15-30-25(22)17-4-3-7-29-14-17/h3-12,14-15H,13H2,1-2H3,(H,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]SB-674042 from human orexin-2 receptor after 60 mins by scintillation counting analysis				Bioorg Med Chem Lett 23: 6620-4 (2013) Article DOI: 10.1016/j.bmcl.2013.10.045 BindingDB Entry DOI: 10.7270/Q2WH2RFJ
					More data for this Ligand-Target Pair
Somatostatin receptor type 2 (Homo sapiens (Human))	BDBM50341571 (4-[7-Chloro-3-(3,5-dimethylphenyl)-4-{2-[(2R)-pipe...) Show SMILES Cc1cc(C)cc(c1)-c1cnc2cc(Cl)c(cc2c1OCC[C@H]1CCCCN1)-c1ccc(O)cc1 |r| Show InChI InChI=1S/C30H31ClN2O2/c1-19-13-20(2)15-22(14-19)27-18-33-29-17-28(31)25(21-6-8-24(34)9-7-21)16-26(29)30(27)35-12-10-23-5-3-4-11-32-23/h6-9,13-18,23,32,34H,3-5,10-12H2,1-2H3/t23-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.0800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of I125-somatostatin-14 from human SST2 expressed in CHO cells after 3 hrs by scintillation counting				J Med Chem 54: 2351-8 (2011) Article DOI: 10.1021/jm101501b BindingDB Entry DOI: 10.7270/Q2668DH8
					More data for this Ligand-Target Pair
Somatostatin receptor type 2 (Homo sapiens (Human))	BDBM50341577 (3-[4-(3-Aminopropoxy)-7-chloro-3-(3,5-dimethylphen...) Show SMILES Cc1cc(C)cc(c1)-c1cnc2cc(Cl)c(cc2c1OCCCN)-c1cccc(c1)C(N)=O Show InChI InChI=1S/C27H26ClN3O2/c1-16-9-17(2)11-20(10-16)23-15-31-25-14-24(28)21(13-22(25)26(23)33-8-4-7-29)18-5-3-6-19(12-18)27(30)32/h3,5-6,9-15H,4,7-8,29H2,1-2H3,(H2,30,32)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.0800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of I125-somatostatin-14 from human SST2 expressed in CHO cells after 3 hrs by scintillation counting				J Med Chem 54: 2351-8 (2011) Article DOI: 10.1021/jm101501b BindingDB Entry DOI: 10.7270/Q2668DH8
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50374443 (CHEMBL272715) Show SMILES Cc1ccc2n(C)c(SCC(=O)N3CCC[C@H]3C(=O)Nc3ccccc3-n3cccc3)nc2c1 Show InChI InChI=1S/C26H27N5O2S/c1-18-11-12-21-20(16-18)28-26(29(21)2)34-17-24(32)31-15-7-10-23(31)25(33)27-19-8-3-4-9-22(19)30-13-5-6-14-30/h3-6,8-9,11-14,16,23H,7,10,15,17H2,1-2H3,(H,27,33)/t23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H](S)-N-(2-(1H-pyrrol-1-yl)phenyl)-1-(2-(1-methyl-1H-benzo[d]imidazol-2-ylthio)acetyl)pyrrolidine-2-carboxamide from human OX2R exp...				Bioorg Med Chem Lett 18: 1425-30 (2008) Article DOI: 10.1016/j.bmcl.2008.01.001 BindingDB Entry DOI: 10.7270/Q2N87BM4
					More data for this Ligand-Target Pair
Somatostatin receptor type 2 (Homo sapiens (Human))	BDBM50341573 (CHEMBL1766098 | {4-[7-Chloro-3-(3,5-dimethylphenyl...) Show SMILES Cc1cc(C)cc(c1)-c1cnc2cc(Cl)c(cc2c1OCC[C@H]1CCCCN1)-c1ccc(CO)cc1 |r| Show InChI InChI=1S/C31H33ClN2O2/c1-20-13-21(2)15-24(14-20)28-18-34-30-17-29(32)26(23-8-6-22(19-35)7-9-23)16-27(30)31(28)36-12-10-25-5-3-4-11-33-25/h6-9,13-18,25,33,35H,3-5,10-12,19H2,1-2H3/t25-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of I125-somatostatin-14 from human SST2 expressed in CHO cells after 3 hrs by scintillation counting				J Med Chem 54: 2351-8 (2011) Article DOI: 10.1021/jm101501b BindingDB Entry DOI: 10.7270/Q2668DH8
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50374442 (CHEMBL255763) Show SMILES Cc1ccc2nc(SCC(=O)N3CCC[C@H]3C(=O)Nc3ccccc3-n3cccc3)n(C)c2c1 Show InChI InChI=1S/C26H27N5O2S/c1-18-11-12-20-23(16-18)29(2)26(28-20)34-17-24(32)31-15-7-10-22(31)25(33)27-19-8-3-4-9-21(19)30-13-5-6-14-30/h3-6,8-9,11-14,16,22H,7,10,15,17H2,1-2H3,(H,27,33)/t22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H](S)-N-(2-(1H-pyrrol-1-yl)phenyl)-1-(2-(1-methyl-1H-benzo[d]imidazol-2-ylthio)acetyl)pyrrolidine-2-carboxamide from human OX2R exp...				Bioorg Med Chem Lett 18: 1425-30 (2008) Article DOI: 10.1016/j.bmcl.2008.01.001 BindingDB Entry DOI: 10.7270/Q2N87BM4
					More data for this Ligand-Target Pair
Somatostatin receptor type 2 (Homo sapiens (Human))	BDBM50341570 (7-Chloro-3-(3,5-dimethylphenyl)-4-{2-[(2R)-piperid...) Show SMILES Cc1cc(C)cc(c1)-c1cnc2cc(Cl)c(cc2c1OCC[C@H]1CCCCN1)-c1ccncc1 |r| Show InChI InChI=1S/C29H30ClN3O/c1-19-13-20(2)15-22(14-19)26-18-33-28-17-27(30)24(21-6-10-31-11-7-21)16-25(28)29(26)34-12-8-23-5-3-4-9-32-23/h6-7,10-11,13-18,23,32H,3-5,8-9,12H2,1-2H3/t23-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of I125-somatostatin-14 from human SST2 expressed in CHO cells after 3 hrs by scintillation counting				J Med Chem 54: 2351-8 (2011) Article DOI: 10.1021/jm101501b BindingDB Entry DOI: 10.7270/Q2668DH8
					More data for this Ligand-Target Pair
Somatostatin receptor type 2 (Homo sapiens (Human))	BDBM50341569 (7-Chloro-3-(3,5-dimethylphenyl)-6-(6-fluoropyridin...) Show SMILES Cc1cc(C)cc(c1)-c1cnc2cc(Cl)c(cc2c1OCC[C@H]1CCCCN1)-c1ccc(F)nc1 |r| Show InChI InChI=1S/C29H29ClFN3O/c1-18-11-19(2)13-21(12-18)25-17-33-27-15-26(30)23(20-6-7-28(31)34-16-20)14-24(27)29(25)35-10-8-22-5-3-4-9-32-22/h6-7,11-17,22,32H,3-5,8-10H2,1-2H3/t22-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of I125-somatostatin-14 from human SST2 expressed in CHO cells after 3 hrs by scintillation counting				J Med Chem 54: 2351-8 (2011) Article DOI: 10.1021/jm101501b BindingDB Entry DOI: 10.7270/Q2668DH8
					More data for this Ligand-Target Pair
Somatostatin receptor type 2 (Homo sapiens (Human))	BDBM50341568 (7-Chloro-6-(6-chloropyridin-3-yl)-3-(3,5-dimethylp...) Show SMILES Cc1cc(C)cc(c1)-c1cnc2cc(Cl)c(cc2c1OCC[C@H]1CCCCN1)-c1ccc(Cl)nc1 |r| Show InChI InChI=1S/C29H29Cl2N3O/c1-18-11-19(2)13-21(12-18)25-17-33-27-15-26(30)23(20-6-7-28(31)34-16-20)14-24(27)29(25)35-10-8-22-5-3-4-9-32-22/h6-7,11-17,22,32H,3-5,8-10H2,1-2H3/t22-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of I125-somatostatin-14 from human SST2 expressed in CHO cells after 3 hrs by scintillation counting				J Med Chem 54: 2351-8 (2011) Article DOI: 10.1021/jm101501b BindingDB Entry DOI: 10.7270/Q2668DH8
					More data for this Ligand-Target Pair
Somatostatin receptor type 2 (Homo sapiens (Human))	BDBM50341579 (CHEMBL1766104 | {3-[7-Chloro-6-(1-methyl-1H-pyrazo...) Show SMILES Cn1cc(cn1)-c1cc2c(OCC[C@H]3CCCCN3)c(cnc2cc1Cl)-c1cccc(CO)c1 |r| Show InChI InChI=1S/C27H29ClN4O2/c1-32-16-20(14-31-32)22-12-23-26(13-25(22)28)30-15-24(19-6-4-5-18(11-19)17-33)27(23)34-10-8-21-7-2-3-9-29-21/h4-6,11-16,21,29,33H,2-3,7-10,17H2,1H3/t21-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of I125-somatostatin-14 from human SST2 expressed in CHO cells after 3 hrs by scintillation counting				J Med Chem 54: 2351-8 (2011) Article DOI: 10.1021/jm101501b BindingDB Entry DOI: 10.7270/Q2668DH8
					More data for this Ligand-Target Pair
Somatostatin receptor type 2 (Homo sapiens (Human))	BDBM50341580 (CHEMBL1766105 | [(4-{2-[(2R)-Piperidin-2-yl]ethoxy...) Show SMILES OCc1cccc(c1)-c1ccc2ncc(-c3cccc(CO)c3)c(OCC[C@H]3CCCCN3)c2c1 |r| Show InChI InChI=1S/C30H32N2O3/c33-19-21-5-3-7-23(15-21)24-10-11-29-27(17-24)30(35-14-12-26-9-1-2-13-31-26)28(18-32-29)25-8-4-6-22(16-25)20-34/h3-8,10-11,15-18,26,31,33-34H,1-2,9,12-14,19-20H2/t26-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of I125-somatostatin-14 from human SST2 expressed in CHO cells after 3 hrs by scintillation counting				J Med Chem 54: 2351-8 (2011) Article DOI: 10.1021/jm101501b BindingDB Entry DOI: 10.7270/Q2668DH8
					More data for this Ligand-Target Pair
Somatostatin receptor type 2 (Homo sapiens (Human))	BDBM50341564 (7-Chloro-3-(3,5-dimethylphenyl)-4-{2-[(2R)-piperid...) Show SMILES Cc1cc(C)cc(c1)-c1cnc2cc(Cl)c(cc2c1OCC[C@H]1CCCCN1)-c1cccnc1 |r| Show InChI InChI=1S/C29H30ClN3O/c1-19-12-20(2)14-22(13-19)26-18-33-28-16-27(30)24(21-6-5-9-31-17-21)15-25(28)29(26)34-11-8-23-7-3-4-10-32-23/h5-6,9,12-18,23,32H,3-4,7-8,10-11H2,1-2H3/t23-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of I125-somatostatin-14 from human SST2 expressed in CHO cells after 3 hrs by scintillation counting				J Med Chem 54: 2351-8 (2011) Article DOI: 10.1021/jm101501b BindingDB Entry DOI: 10.7270/Q2668DH8
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50318697 (6-Fluoro-2-{(5R)-5-Methyl-4-[5-methyl-2-(2H-1,2,3-...) Show SMILES C[C@@H]1CCN(CCN1C(=O)c1ccccc1-n1nccn1)c1ncc2cc(F)ccc2n1 |r| Show InChI InChI=1S/C23H22FN7O/c1-16-8-11-29(23-25-15-17-14-18(24)6-7-20(17)28-23)12-13-30(16)22(32)19-4-2-3-5-21(19)31-26-9-10-27-31/h2-7,9-10,14-16H,8,11-13H2,1H3/t16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H](S)-N-(2-(1H-pyrrol-1-yl)phenyl)-1-(2-(1-methyl-1H-benzo[d]imidazol-2-ylthio)acetyl)pyrrolidine-2-carboxamide from human OX2R exp...				J Med Chem 53: 5320-32 (2010) Article DOI: 10.1021/jm100541c BindingDB Entry DOI: 10.7270/Q29K4C61
					More data for this Ligand-Target Pair
Somatostatin receptor type 2 (Homo sapiens (Human))	BDBM50341563 (7-chloro-3-(3,5-dimethylphenyl)-6-phenyl-4-(2-(pip...) Show SMILES Cc1cc(C)cc(c1)C1=C(OCCC2CCCCN2)c2cc(c(Cl)cc2NC1)-c1ccccc1 |c:9| Show InChI InChI=1S/C30H33ClN2O/c1-20-14-21(2)16-23(15-20)27-19-33-29-18-28(31)25(22-8-4-3-5-9-22)17-26(29)30(27)34-13-11-24-10-6-7-12-32-24/h3-5,8-9,14-18,24,32-33H,6-7,10-13,19H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of I125-somatostatin-14 from human SST2 expressed in CHO cells after 3 hrs by scintillation counting				J Med Chem 54: 2351-8 (2011) Article DOI: 10.1021/jm101501b BindingDB Entry DOI: 10.7270/Q2668DH8
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50374444 (CHEMBL401653) Show SMILES Cc1ccc2nc(SCC(=O)N3CCC[C@H]3C(=O)Nc3ccccc3-n3cccc3)[nH]c2c1 Show InChI InChI=1S/C25H25N5O2S/c1-17-10-11-18-20(15-17)28-25(27-18)33-16-23(31)30-14-6-9-22(30)24(32)26-19-7-2-3-8-21(19)29-12-4-5-13-29/h2-5,7-8,10-13,15,22H,6,9,14,16H2,1H3,(H,26,32)(H,27,28)/t22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H](S)-N-(2-(1H-pyrrol-1-yl)phenyl)-1-(2-(1-methyl-1H-benzo[d]imidazol-2-ylthio)acetyl)pyrrolidine-2-carboxamide from human OX2R exp...				Bioorg Med Chem Lett 18: 1425-30 (2008) Article DOI: 10.1016/j.bmcl.2008.01.001 BindingDB Entry DOI: 10.7270/Q2N87BM4
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50314676 ((4-(6-fluoroquinazolin-2-yl)-1,4-diazepan-1-yl)(5-...) Show SMILES Cc1ccc(c(c1)C(=O)N1CCCN(CC1)c1ncc2cc(F)ccc2n1)-n1nccn1 Show InChI InChI=1S/C23H22FN7O/c1-16-3-6-21(31-26-7-8-27-31)19(13-16)22(32)29-9-2-10-30(12-11-29)23-25-15-17-14-18(24)4-5-20(17)28-23/h3-8,13-15H,2,9-12H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to OX2 receptor by radioligand displacement assay				Bioorg Med Chem Lett 20: 2311-5 (2010) Article DOI: 10.1016/j.bmcl.2010.01.138 BindingDB Entry DOI: 10.7270/Q2MK6D26
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50374441 (CHEMBL429848) Show SMILES Cn1c(SCC(=O)N2CCC[C@H]2C(=O)Nc2ccccc2-c2ccccc2)nc2ccccc12 Show InChI InChI=1S/C27H26N4O2S/c1-30-23-15-8-7-14-22(23)29-27(30)34-18-25(32)31-17-9-16-24(31)26(33)28-21-13-6-5-12-20(21)19-10-3-2-4-11-19/h2-8,10-15,24H,9,16-18H2,1H3,(H,28,33)/t24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H](S)-N-(2-(1H-pyrrol-1-yl)phenyl)-1-(2-(1-methyl-1H-benzo[d]imidazol-2-ylthio)acetyl)pyrrolidine-2-carboxamide from human OX2R exp...				Bioorg Med Chem Lett 18: 1425-30 (2008) Article DOI: 10.1016/j.bmcl.2008.01.001 BindingDB Entry DOI: 10.7270/Q2N87BM4
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50318698 (6,7-Fluoro-2-{(5R)-5-Methyl-4-[2-(2H-1,2,3-triazol...) Show SMILES C[C@@H]1CCN(CCN1C(=O)c1ccccc1-n1nccn1)c1cnc2cc(F)c(F)cc2n1 |r| Show InChI InChI=1S/C23H21F2N7O/c1-15-6-9-30(22-14-26-19-12-17(24)18(25)13-20(19)29-22)10-11-31(15)23(33)16-4-2-3-5-21(16)32-27-7-8-28-32/h2-5,7-8,12-15H,6,9-11H2,1H3/t15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	0.25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H](S)-N-(2-(1H-pyrrol-1-yl)phenyl)-1-(2-(1-methyl-1H-benzo[d]imidazol-2-ylthio)acetyl)pyrrolidine-2-carboxamide from human OX2R exp...				J Med Chem 53: 5320-32 (2010) Article DOI: 10.1021/jm100541c BindingDB Entry DOI: 10.7270/Q29K4C61
					More data for this Ligand-Target Pair
Somatostatin receptor type 2 (Homo sapiens (Human))	BDBM50341565 (5-[7-Chloro-3-(3,5-dimethylphenyl)-4-{2-[(2R)-pipe...) Show SMILES Cc1cc(C)cc(c1)-c1cnc2cc(Cl)c(cc2c1OCC[C@H]1CCCCN1)-c1ccc(=O)[nH]c1 |r| Show InChI InChI=1S/C29H30ClN3O2/c1-18-11-19(2)13-21(12-18)25-17-32-27-15-26(30)23(20-6-7-28(34)33-16-20)14-24(27)29(25)35-10-8-22-5-3-4-9-31-22/h6-7,11-17,22,31H,3-5,8-10H2,1-2H3,(H,33,34)/t22-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.270	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of I125-somatostatin-14 from human SST2 expressed in CHO cells after 3 hrs by scintillation counting				J Med Chem 54: 2351-8 (2011) Article DOI: 10.1021/jm101501b BindingDB Entry DOI: 10.7270/Q2668DH8
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50318699 (2-{(5R)-5-Methyl-4-[2-(2H-1,2,3-triazol-2-yl)benzo...) Show SMILES C[C@@H]1CCN(CCN1C(=O)c1ccccc1-n1nccn1)c1ncc2CCCCc2n1 |r| Show InChI InChI=1S/C23H27N7O/c1-17-10-13-28(23-24-16-18-6-2-4-8-20(18)27-23)14-15-29(17)22(31)19-7-3-5-9-21(19)30-25-11-12-26-30/h3,5,7,9,11-12,16-17H,2,4,6,8,10,13-15H2,1H3/t17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	0.280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H](S)-N-(2-(1H-pyrrol-1-yl)phenyl)-1-(2-(1-methyl-1H-benzo[d]imidazol-2-ylthio)acetyl)pyrrolidine-2-carboxamide from human OX2R exp...				J Med Chem 53: 5320-32 (2010) Article DOI: 10.1021/jm100541c BindingDB Entry DOI: 10.7270/Q29K4C61
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50374448 (CHEMBL429130) Show SMILES Cn1c(SCC(=O)N2CCC[C@H]2C(=O)Nc2ccccc2-n2cccc2)nc2ccccc12 Show InChI InChI=1S/C25H25N5O2S/c1-28-20-11-4-2-9-18(20)27-25(28)33-17-23(31)30-16-8-13-22(30)24(32)26-19-10-3-5-12-21(19)29-14-6-7-15-29/h2-7,9-12,14-15,22H,8,13,16-17H2,1H3,(H,26,32)/t22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H](S)-N-(2-(1H-pyrrol-1-yl)phenyl)-1-(2-(1-methyl-1H-benzo[d]imidazol-2-ylthio)acetyl)pyrrolidine-2-carboxamide from human OX2R exp...				Bioorg Med Chem Lett 18: 1425-30 (2008) Article DOI: 10.1016/j.bmcl.2008.01.001 BindingDB Entry DOI: 10.7270/Q2N87BM4
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50028045 (CHEMBL3338852) Show SMILES COc1ccc(CNC(=O)c2cc(ccc2-c2ccccc2)-c2cncc(C)c2)nc1OC Show InChI InChI=1S/C27H25N3O3/c1-18-13-21(16-28-15-18)20-9-11-23(19-7-5-4-6-8-19)24(14-20)26(31)29-17-22-10-12-25(32-2)27(30-22)33-3/h4-16H,17H2,1-3H3,(H,29,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of (S)-N-(2-(1H-pyrrol-1-yl)phenyl)-1-(2-([3H]-1-methyl-1H-benzo[d]imidazol-2-ylthio)acetyl)pyrrolidine-2-carboxamide from human OX2R ex...				Bioorg Med Chem Lett 24: 4884-90 (2014) Article DOI: 10.1016/j.bmcl.2014.08.041 BindingDB Entry DOI: 10.7270/Q2GX4D4J
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50028040 (CHEMBL3338846) Show SMILES COc1ccc(CNC(=O)c2cc(cnc2-c2ccccc2)-c2cncc(C)c2)nc1OC Show InChI InChI=1S/C26H24N4O3/c1-17-11-19(14-27-13-17)20-12-22(24(28-15-20)18-7-5-4-6-8-18)25(31)29-16-21-9-10-23(32-2)26(30-21)33-3/h4-15H,16H2,1-3H3,(H,29,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of (S)-N-(2-(1H-pyrrol-1-yl)phenyl)-1-(2-([3H]-1-methyl-1H-benzo[d]imidazol-2-ylthio)acetyl)pyrrolidine-2-carboxamide from human OX2R ex...				Bioorg Med Chem Lett 24: 4884-90 (2014) Article DOI: 10.1016/j.bmcl.2014.08.041 BindingDB Entry DOI: 10.7270/Q2GX4D4J
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50318701 (CHEMBL1083659 | MK-4305 | [(7R)-4-(5-Chloro-1,3-be...) Show SMILES C[C@@H]1CCN(CCN1C(=O)c1cc(C)ccc1-n1nccn1)c1nc2cc(Cl)ccc2o1 |r| Show InChI InChI=1S/C23H23ClN6O2/c1-15-3-5-20(30-25-8-9-26-30)18(13-15)22(31)29-12-11-28(10-7-16(29)2)23-27-19-14-17(24)4-6-21(19)32-23/h3-6,8-9,13-14,16H,7,10-12H2,1-2H3/t16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	0.350	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H](S)-N-(2-(1H-pyrrol-1-yl)phenyl)-1-(2-(1-methyl-1H-benzo[d]imidazol-2-ylthio)acetyl)pyrrolidine-2-carboxamide from human OX2R exp...				J Med Chem 53: 5320-32 (2010) Article DOI: 10.1021/jm100541c BindingDB Entry DOI: 10.7270/Q29K4C61
					More data for this Ligand-Target Pair				3D Structure (crystal)
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50318695 (2-{(5R)-5-Methyl-4-[5-methyl-2-(2H-1,2,3-triazol-2...) Show SMILES C[C@@H]1CCN(CCN1C(=O)c1cc(C)ccc1-n1nccn1)c1ncc2ccccc2n1 |r| Show InChI InChI=1S/C24H25N7O/c1-17-7-8-22(31-26-10-11-27-31)20(15-17)23(32)30-14-13-29(12-9-18(30)2)24-25-16-19-5-3-4-6-21(19)28-24/h3-8,10-11,15-16,18H,9,12-14H2,1-2H3/t18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.360	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H](S)-N-(2-(1H-pyrrol-1-yl)phenyl)-1-(2-(1-methyl-1H-benzo[d]imidazol-2-ylthio)acetyl)pyrrolidine-2-carboxamide from human OX2R exp...				J Med Chem 53: 5320-32 (2010) Article DOI: 10.1021/jm100541c BindingDB Entry DOI: 10.7270/Q29K4C61
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50318695 (2-{(5R)-5-Methyl-4-[5-methyl-2-(2H-1,2,3-triazol-2...) Show SMILES C[C@@H]1CCN(CCN1C(=O)c1cc(C)ccc1-n1nccn1)c1ncc2ccccc2n1 |r| Show InChI InChI=1S/C24H25N7O/c1-17-7-8-22(31-26-10-11-27-31)20(15-17)23(32)30-14-13-29(12-9-18(30)2)24-25-16-19-5-3-4-6-21(19)28-24/h3-8,10-11,15-16,18H,9,12-14H2,1-2H3/t18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.390	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]N-cyclobutyl-5-methyl-N-(2-(1-methyl-1H-benzo[d]imidazol-2-ylthio)ethyl)-2-(2H-1,2,3-triazol-2-yl)benzamide from human OX1R expre...				J Med Chem 53: 5320-32 (2010) Article DOI: 10.1021/jm100541c BindingDB Entry DOI: 10.7270/Q29K4C61
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50318695 (2-{(5R)-5-Methyl-4-[5-methyl-2-(2H-1,2,3-triazol-2...) Show SMILES C[C@@H]1CCN(CCN1C(=O)c1cc(C)ccc1-n1nccn1)c1ncc2ccccc2n1 |r| Show InChI InChI=1S/C24H25N7O/c1-17-7-8-22(31-26-10-11-27-31)20(15-17)23(32)30-14-13-29(12-9-18(30)2)24-25-16-19-5-3-4-6-21(19)28-24/h3-8,10-11,15-16,18H,9,12-14H2,1-2H3/t18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.390	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H](S)-N-(biphenyl-2-yl)-1-(2-(1-methyl-1H-benzo[d]imidazol-2-ylthio)acetyl)pyrrolidine-2-carboxamide from human OX1R expressed in C...				J Med Chem 53: 5320-32 (2010) Article DOI: 10.1021/jm100541c BindingDB Entry DOI: 10.7270/Q29K4C61
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50321509 ((5-chloro-2-(2H-1,2,3-triazol-2-yl)phenyl)((1R,5R)...) Show SMILES Fc1ccc2nc(ncc2c1)N1C[C@H]2C[C@@H]1CN(C2)C(=O)c1cc(Cl)ccc1-n1nccn1 |r| Show InChI InChI=1S/C23H19ClFN7O/c24-16-1-4-21(32-27-5-6-28-32)19(9-16)22(33)30-11-14-7-18(13-30)31(12-14)23-26-10-15-8-17(25)2-3-20(15)29-23/h1-6,8-10,14,18H,7,11-13H2/t14-,18+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to OX1R				Bioorg Med Chem Lett 20: 4201-5 (2010) Article DOI: 10.1016/j.bmcl.2010.05.047 BindingDB Entry DOI: 10.7270/Q25Q4X3F
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50321510 ((3-(7-fluoroquinazolin-2-yl)-3,9-di azabicyclo[4.2...) Show SMILES Cc1ccc(c(c1)C(=O)N1C2CCC1CN(CC2)c1ncc2ccc(F)cc2n1)-n1nccn1 Show InChI InChI=1S/C25H24FN7O/c1-16-2-7-23(33-28-9-10-29-33)21(12-16)24(34)32-19-5-6-20(32)15-31(11-8-19)25-27-14-17-3-4-18(26)13-22(17)30-25/h2-4,7,9-10,12-14,19-20H,5-6,8,11,15H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to OX2R				Bioorg Med Chem Lett 20: 4201-5 (2010) Article DOI: 10.1016/j.bmcl.2010.05.047 BindingDB Entry DOI: 10.7270/Q25Q4X3F
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50314681 ((5-chloro-2-(2H-1,2,3-triazol-2-yl)phenyl)(6-(6-fl...) Show SMILES Fc1ccc2nc(ncc2c1)N1CC2CC1CN(C2)C(=O)c1cc(Cl)ccc1-n1nccn1 Show InChI InChI=1S/C23H19ClFN7O/c24-16-1-4-21(32-27-5-6-28-32)19(9-16)22(33)30-11-14-7-18(13-30)31(12-14)23-26-10-15-8-17(25)2-3-20(15)29-23/h1-6,8-10,14,18H,7,11-13H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to OX1 receptor by radioligand displacement assay				Bioorg Med Chem Lett 20: 2311-5 (2010) Article DOI: 10.1016/j.bmcl.2010.01.138 BindingDB Entry DOI: 10.7270/Q2MK6D26
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50012229 (5-Thiomorpholin-4-ylmethyl-thieno[2,3-b]thiophene-...) Show SMILES NS(=O)(=O)c1cc2cc(CN3CCSCC3)sc2s1 Show InChI InChI=1S/C11H14N2O2S4/c12-19(14,15)10-6-8-5-9(17-11(8)18-10)7-13-1-3-16-4-2-13/h5-6H,1-4,7H2,(H2,12,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.440	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description In vitro binding affinity against human carbonic anhydrase II				J Med Chem 34: 1805-18 (1991) Checked by Author BindingDB Entry DOI: 10.7270/Q25D8SFP
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50318696 (2-{(5R)-5-Methyl-4-[2-(2H-1,2,3-triazol-2-yl)benzo...) Show SMILES C[C@@H]1CCN(CCN1C(=O)c1ccccc1-n1nccn1)c1ncc2ccccc2n1 |r| Show InChI InChI=1S/C23H23N7O/c1-17-10-13-28(23-24-16-18-6-2-4-8-20(18)27-23)14-15-29(17)22(31)19-7-3-5-9-21(19)30-25-11-12-26-30/h2-9,11-12,16-17H,10,13-15H2,1H3/t17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.470	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H](S)-N-(2-(1H-pyrrol-1-yl)phenyl)-1-(2-(1-methyl-1H-benzo[d]imidazol-2-ylthio)acetyl)pyrrolidine-2-carboxamide from human OX2R exp...				J Med Chem 53: 5320-32 (2010) Article DOI: 10.1021/jm100541c BindingDB Entry DOI: 10.7270/Q29K4C61
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM106968 (US8592457, 1-5) Show SMILES COc1ccc(CNC(=O)c2cc(ncc2-c2ccccc2)-c2cncc(C)c2)nc1OC Show InChI InChI=1S/C26H24N4O3/c1-17-11-19(14-27-13-17)23-12-21(22(16-28-23)18-7-5-4-6-8-18)25(31)29-15-20-9-10-24(32-2)26(30-20)33-3/h4-14,16H,15H2,1-3H3,(H,29,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of (S)-N-(2-(1H-pyrrol-1-yl)phenyl)-1-(2-([3H]-1-methyl-1H-benzo[d]imidazol-2-ylthio)acetyl)pyrrolidine-2-carboxamide from human OX2R ex...				Bioorg Med Chem Lett 24: 4884-90 (2014) Article DOI: 10.1016/j.bmcl.2014.08.041 BindingDB Entry DOI: 10.7270/Q2GX4D4J
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50318701 (CHEMBL1083659 | MK-4305 | [(7R)-4-(5-Chloro-1,3-be...) Show SMILES C[C@@H]1CCN(CCN1C(=O)c1cc(C)ccc1-n1nccn1)c1nc2cc(Cl)ccc2o1 |r| Show InChI InChI=1S/C23H23ClN6O2/c1-15-3-5-20(30-25-8-9-26-30)18(13-15)22(31)29-12-11-28(10-7-16(29)2)23-27-19-14-17(24)4-6-21(19)32-23/h3-6,8-9,13-14,16H,7,10-12H2,1-2H3/t16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	0.550	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H](S)-N-(biphenyl-2-yl)-1-(2-(1-methyl-1H-benzo[d]imidazol-2-ylthio)acetyl)pyrrolidine-2-carboxamide from human OX1R expressed in C...				J Med Chem 53: 5320-32 (2010) Article DOI: 10.1021/jm100541c BindingDB Entry DOI: 10.7270/Q29K4C61
					More data for this Ligand-Target Pair				3D Structure (crystal)
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50318701 (CHEMBL1083659 | MK-4305 | [(7R)-4-(5-Chloro-1,3-be...) Show SMILES C[C@@H]1CCN(CCN1C(=O)c1cc(C)ccc1-n1nccn1)c1nc2cc(Cl)ccc2o1 |r| Show InChI InChI=1S/C23H23ClN6O2/c1-15-3-5-20(30-25-8-9-26-30)18(13-15)22(31)29-12-11-28(10-7-16(29)2)23-27-19-14-17(24)4-6-21(19)32-23/h3-6,8-9,13-14,16H,7,10-12H2,1-2H3/t16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	0.550	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]N-cyclobutyl-5-methyl-N-(2-(1-methyl-1H-benzo[d]imidazol-2-ylthio)ethyl)-2-(2H-1,2,3-triazol-2-yl)benzamide from human OX1R expre...				J Med Chem 53: 5320-32 (2010) Article DOI: 10.1021/jm100541c BindingDB Entry DOI: 10.7270/Q29K4C61
					More data for this Ligand-Target Pair				3D Structure (crystal)
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50258741 ((5-methyl-2-(2H-1,2,3-triazol-2-yl)phenyl)(4-(quin...) Show SMILES Cc1ccc(c(c1)C(=O)N1CCCN(CC1)c1ncc2ccccc2n1)-n1nccn1 Show InChI InChI=1S/C23H23N7O/c1-17-7-8-21(30-25-9-10-26-30)19(15-17)22(31)28-11-4-12-29(14-13-28)23-24-16-18-5-2-3-6-20(18)27-23/h2-3,5-10,15-16H,4,11-14H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.590	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H](S)-N-(2-(1H-pyrrol-1-yl)phenyl)-1-(2-(1-methyl-1H-benzo[d]imidazol-2-ylthio)acetyl)pyrrolidine-2-carboxamide from human OX2R exp...				J Med Chem 53: 5320-32 (2010) Article DOI: 10.1021/jm100541c BindingDB Entry DOI: 10.7270/Q29K4C61
					More data for this Ligand-Target Pair
Somatostatin receptor type 2 (Homo sapiens (Human))	BDBM50341566 (5-[7-Chloro-3-(3,5-dimethylphenyl)-4-{2-[(2R)-pipe...) Show SMILES Cc1cc(C)cc(c1)-c1cnc2cc(Cl)c(cc2c1OCC[C@H]1CCCCN1)-c1ccc(N)nc1 |r| Show InChI InChI=1S/C29H31ClN4O/c1-18-11-19(2)13-21(12-18)25-17-33-27-15-26(30)23(20-6-7-28(31)34-16-20)14-24(27)29(25)35-10-8-22-5-3-4-9-32-22/h6-7,11-17,22,32H,3-5,8-10H2,1-2H3,(H2,31,34)/t22-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of I125-somatostatin-14 from human SST2 expressed in CHO cells after 3 hrs by scintillation counting				J Med Chem 54: 2351-8 (2011) Article DOI: 10.1021/jm101501b BindingDB Entry DOI: 10.7270/Q2668DH8
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50314681 ((5-chloro-2-(2H-1,2,3-triazol-2-yl)phenyl)(6-(6-fl...) Show SMILES Fc1ccc2nc(ncc2c1)N1CC2CC1CN(C2)C(=O)c1cc(Cl)ccc1-n1nccn1 Show InChI InChI=1S/C23H19ClFN7O/c24-16-1-4-21(32-27-5-6-28-32)19(9-16)22(33)30-11-14-7-18(13-30)31(12-14)23-26-10-15-8-17(25)2-3-20(15)29-23/h1-6,8-10,14,18H,7,11-13H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to OX2 receptor by radioligand displacement assay				Bioorg Med Chem Lett 20: 2311-5 (2010) Article DOI: 10.1016/j.bmcl.2010.01.138 BindingDB Entry DOI: 10.7270/Q2MK6D26
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50258741 ((5-methyl-2-(2H-1,2,3-triazol-2-yl)phenyl)(4-(quin...) Show SMILES Cc1ccc(c(c1)C(=O)N1CCCN(CC1)c1ncc2ccccc2n1)-n1nccn1 Show InChI InChI=1S/C23H23N7O/c1-17-7-8-21(30-25-9-10-26-30)19(15-17)22(31)28-11-4-12-29(14-13-28)23-24-16-18-5-2-3-6-20(18)27-23/h2-3,5-10,15-16H,4,11-14H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to OX2 receptor by radioligand displacement assay				Bioorg Med Chem Lett 20: 2311-5 (2010) Article DOI: 10.1016/j.bmcl.2010.01.138 BindingDB Entry DOI: 10.7270/Q2MK6D26
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50321509 ((5-chloro-2-(2H-1,2,3-triazol-2-yl)phenyl)((1R,5R)...) Show SMILES Fc1ccc2nc(ncc2c1)N1C[C@H]2C[C@@H]1CN(C2)C(=O)c1cc(Cl)ccc1-n1nccn1 |r| Show InChI InChI=1S/C23H19ClFN7O/c24-16-1-4-21(32-27-5-6-28-32)19(9-16)22(33)30-11-14-7-18(13-30)31(12-14)23-26-10-15-8-17(25)2-3-20(15)29-23/h1-6,8-10,14,18H,7,11-13H2/t14-,18+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to OX2R				Bioorg Med Chem Lett 20: 4201-5 (2010) Article DOI: 10.1016/j.bmcl.2010.05.047 BindingDB Entry DOI: 10.7270/Q25Q4X3F
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50258741 ((5-methyl-2-(2H-1,2,3-triazol-2-yl)phenyl)(4-(quin...) Show SMILES Cc1ccc(c(c1)C(=O)N1CCCN(CC1)c1ncc2ccccc2n1)-n1nccn1 Show InChI InChI=1S/C23H23N7O/c1-17-7-8-21(30-25-9-10-26-30)19(15-17)22(31)28-11-4-12-29(14-13-28)23-24-16-18-5-2-3-6-20(18)27-23/h2-3,5-10,15-16H,4,11-14H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to OX2R				Bioorg Med Chem Lett 20: 4201-5 (2010) Article DOI: 10.1016/j.bmcl.2010.05.047 BindingDB Entry DOI: 10.7270/Q25Q4X3F
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50374456 (CHEMBL256789) Show SMILES O=C(CSc1nc2ccccc2[nH]1)N1CCC[C@H]1C(=O)Nc1ccccc1-c1ccccc1 Show InChI InChI=1S/C26H24N4O2S/c31-24(17-33-26-28-21-13-6-7-14-22(21)29-26)30-16-8-15-23(30)25(32)27-20-12-5-4-11-19(20)18-9-2-1-3-10-18/h1-7,9-14,23H,8,15-17H2,(H,27,32)(H,28,29)/t23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H](S)-N-(2-(1H-pyrrol-1-yl)phenyl)-1-(2-(1-methyl-1H-benzo[d]imidazol-2-ylthio)acetyl)pyrrolidine-2-carboxamide from human OX2R exp...				Bioorg Med Chem Lett 18: 1425-30 (2008) Article DOI: 10.1016/j.bmcl.2008.01.001 BindingDB Entry DOI: 10.7270/Q2N87BM4
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50321516 (((1R,5R)-2-(7-fluoroquinazolin-2-yl)-2,6-diazabicy...) Show SMILES Cc1ccc(c(c1)C(=O)N1C[C@H]2CC[C@@H]1CCN2c1ncc2ccc(F)cc2n1)-n1nccn1 |r,THB:7:9:17.15.16:13.12| Show InChI InChI=1S/C25H24FN7O/c1-16-2-7-23(33-28-9-10-29-33)21(12-16)24(34)32-15-20-6-5-19(32)8-11-31(20)25-27-14-17-3-4-18(26)13-22(17)30-25/h2-4,7,9-10,12-14,19-20H,5-6,8,11,15H2,1H3/t19-,20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to OX1R				Bioorg Med Chem Lett 20: 4201-5 (2010) Article DOI: 10.1016/j.bmcl.2010.05.047 BindingDB Entry DOI: 10.7270/Q25Q4X3F
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50321510 ((3-(7-fluoroquinazolin-2-yl)-3,9-di azabicyclo[4.2...) Show SMILES Cc1ccc(c(c1)C(=O)N1C2CCC1CN(CC2)c1ncc2ccc(F)cc2n1)-n1nccn1 Show InChI InChI=1S/C25H24FN7O/c1-16-2-7-23(33-28-9-10-29-33)21(12-16)24(34)32-19-5-6-20(32)15-31(11-8-19)25-27-14-17-3-4-18(26)13-22(17)30-25/h2-4,7,9-10,12-14,19-20H,5-6,8,11,15H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to OX1R				Bioorg Med Chem Lett 20: 4201-5 (2010) Article DOI: 10.1016/j.bmcl.2010.05.047 BindingDB Entry DOI: 10.7270/Q25Q4X3F
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50444606 (CHEMBL3099898) Show SMILES COc1ccc(CNC(=O)c2cc(cnc2-c2cccnc2)-c2cc(F)cc(Cl)c2)cc1OC Show InChI InChI=1S/C26H21ClFN3O3/c1-33-23-6-5-16(8-24(23)34-2)13-31-26(32)22-11-19(18-9-20(27)12-21(28)10-18)15-30-25(22)17-4-3-7-29-14-17/h3-12,14-15H,13H2,1-2H3,(H,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]SB-674042 from human orexin-2 receptor after 60 mins by scintillation counting analysis				Bioorg Med Chem Lett 23: 6620-4 (2013) Article DOI: 10.1016/j.bmcl.2013.10.045 BindingDB Entry DOI: 10.7270/Q2WH2RFJ
					More data for this Ligand-Target Pair

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