Compile Data Set for Download or QSAR

Found 1789 hits with Last Name = 'koudriakova' and Initial = 't'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50028059 (CHEMBL3338866) Show SMILES COc1ccc(CNC(=O)c2cc(cnc2-c2ccccn2)-c2cncc(Cl)c2)nc1OC Show InChI InChI=1S/C24H20ClN5O3/c1-32-21-7-6-18(30-24(21)33-2)14-29-23(31)19-10-16(15-9-17(25)13-26-11-15)12-28-22(19)20-5-3-4-8-27-20/h3-13H,14H2,1-2H3,(H,29,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE 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
TBA 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 OX2 rec...				J Med Chem 58: 5620-36 (2015) Article DOI: 10.1021/acs.jmedchem.5b00742 BindingDB Entry DOI: 10.7270/Q2QR4ZWG
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50321465 ((6-(3-chlorophenoxy)pyridin-3-yl)(4-cyclobutyl-1,4...) Show SMILES Clc1cccc(Oc2ccc(cn2)C(=O)N2CCCN(CC2)C2CCC2)c1 Show InChI InChI=1S/C21H24ClN3O2/c22-17-4-1-7-19(14-17)27-20-9-8-16(15-23-20)21(26)25-11-3-10-24(12-13-25)18-5-2-6-18/h1,4,7-9,14-15,18H,2-3,5-6,10-13H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development L.L.C. Curated by ChEMBL					Assay Description Displacement of [125I]-iodoproxyfan from human recombinant histamine H3 receptor expressed in human SK-N-MC cells after 1 hr by scintillation countin...				Bioorg Med Chem Lett 20: 4210-4 (2010) Article DOI: 10.1016/j.bmcl.2010.05.041 BindingDB Entry DOI: 10.7270/Q29G5NS9
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50321467 ((4-cyclobutyl-1,4-diazepan-1-yl)(6-(4-fluorophenox...) Show SMILES Fc1ccc(Oc2ccc(cn2)C(=O)N2CCCN(CC2)C2CCC2)cc1 Show InChI InChI=1S/C21H24FN3O2/c22-17-6-8-19(9-7-17)27-20-10-5-16(15-23-20)21(26)25-12-2-11-24(13-14-25)18-3-1-4-18/h5-10,15,18H,1-4,11-14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development L.L.C. Curated by ChEMBL					Assay Description Displacement of [125I]-iodoproxyfan from human recombinant histamine H3 receptor expressed in human SK-N-MC cells after 1 hr by scintillation countin...				Bioorg Med Chem Lett 20: 4210-4 (2010) Article DOI: 10.1016/j.bmcl.2010.05.041 BindingDB Entry DOI: 10.7270/Q29G5NS9
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50321503 ((5-(3,4-dichlorophenoxy)pyridin-2-yl)(4-isopropyl-...) Show SMILES CC(C)N1CCCN(CC1)C(=O)c1ccc(Oc2ccc(Cl)c(Cl)c2)cn1 Show InChI InChI=1S/C20H23Cl2N3O2/c1-14(2)24-8-3-9-25(11-10-24)20(26)19-7-5-16(13-23-19)27-15-4-6-17(21)18(22)12-15/h4-7,12-14H,3,8-11H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development L.L.C. Curated by ChEMBL					Assay Description Displacement of [125I]-iodoproxyfan from human recombinant histamine H3 receptor expressed in human SK-N-MC cells after 1 hr by scintillation countin...				Bioorg Med Chem Lett 20: 4210-4 (2010) Article DOI: 10.1016/j.bmcl.2010.05.041 BindingDB Entry DOI: 10.7270/Q29G5NS9
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50561646 (CHEMBL4798102) Show SMILES FC1(F)CCN(C[C@@H]1Oc1ccc2ccccc2n1)C(=O)c1cccn2ccnc12 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human OXIR				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00085 BindingDB Entry DOI: 10.7270/Q2348Q4F
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50321466 (3-(5-(4-cyclobutyl-1,4-diazepane-1-carbonyl)pyridi...) Show SMILES O=C(N1CCCN(CC1)C1CCC1)c1ccc(Oc2cccc(c2)C#N)nc1 Show InChI InChI=1S/C22H24N4O2/c23-15-17-4-1-7-20(14-17)28-21-9-8-18(16-24-21)22(27)26-11-3-10-25(12-13-26)19-5-2-6-19/h1,4,7-9,14,16,19H,2-3,5-6,10-13H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development L.L.C. Curated by ChEMBL					Assay Description Displacement of [125I]-iodoproxyfan from human recombinant histamine H3 receptor expressed in human SK-N-MC cells after 1 hr by scintillation countin...				Bioorg Med Chem Lett 20: 4210-4 (2010) Article DOI: 10.1016/j.bmcl.2010.05.041 BindingDB Entry DOI: 10.7270/Q29G5NS9
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Rattus norvegicus (Rat))	BDBM50097380 (CHEMBL3586432) Show SMILES [H][C@@]12CN(C[C@]1([H])CN(C2)c1nc(C)cc(C)n1)C(=O)c1ccccc1-n1nccn1 |r| Show InChI InChI=1S/C21H23N7O/c1-14-9-15(2)25-21(24-14)27-12-16-10-26(11-17(16)13-27)20(29)18-5-3-4-6-19(18)28-22-7-8-23-28/h3-9,16-17H,10-13H2,1-2H3/t16-,17+	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity to rat OX2 receptor				J Med Chem 58: 5620-36 (2015) Article DOI: 10.1021/acs.jmedchem.5b00742 BindingDB Entry DOI: 10.7270/Q2QR4ZWG
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Rattus norvegicus (Rat))	BDBM254203 (US10112937, Example 88 | US10150765, Example 88 | ...) Show SMILES C[C@H]1N(CCc2c1nnn2-c1ncccn1)C(=O)c1cccc(c1Cl)C(F)(F)F |r| Show InChI InChI=1S/C18H14ClF3N6O/c1-10-15-13(28(26-25-15)17-23-7-3-8-24-17)6-9-27(10)16(29)11-4-2-5-12(14(11)19)18(20,21)22/h2-5,7-8,10H,6,9H2,1H3/t10-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research& Development, LLC , 3210 Merryfield Row, San Diego, California 92121, United States. Curated by ChEMBL					Assay Description Antagonist activity at recombinant rat P2X7 expressed in human 1321N1 cells assessed as inhibition of BzATP-induced calcium flux preincubated for 30 ...				J Med Chem 60: 4559-4572 (2017) Article DOI: 10.1021/acs.jmedchem.7b00408 BindingDB Entry DOI: 10.7270/Q2QN697T
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50321496 ((4-cyclobutyl-1,4-diazepan-1-yl)(6-(phenylthio)pyr...) Show SMILES O=C(N1CCCN(CC1)C1CCC1)c1ccc(Sc2ccccc2)nc1 Show InChI InChI=1S/C21H25N3OS/c25-21(24-13-5-12-23(14-15-24)18-6-4-7-18)17-10-11-20(22-16-17)26-19-8-2-1-3-9-19/h1-3,8-11,16,18H,4-7,12-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development L.L.C. Curated by ChEMBL					Assay Description Displacement of [125I]-iodoproxyfan from human recombinant histamine H3 receptor expressed in human SK-N-MC cells after 1 hr by scintillation countin...				Bioorg Med Chem Lett 20: 4210-4 (2010) Article DOI: 10.1016/j.bmcl.2010.05.041 BindingDB Entry DOI: 10.7270/Q29G5NS9
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50321463 ((4-cyclobutyl-1,4-diazepan-1-yl)(5-(4-fluorophenox...) Show SMILES Fc1ccc(Oc2ccc(nc2)C(=O)N2CCCN(CC2)C2CCC2)cc1 Show InChI InChI=1S/C21H24FN3O2/c22-16-5-7-18(8-6-16)27-19-9-10-20(23-15-19)21(26)25-12-2-11-24(13-14-25)17-3-1-4-17/h5-10,15,17H,1-4,11-14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development L.L.C. Curated by ChEMBL					Assay Description Displacement of [125I]-iodoproxyfan from human recombinant histamine H3 receptor expressed in human SK-N-MC cells after 1 hr by scintillation countin...				Bioorg Med Chem Lett 20: 4210-4 (2010) Article DOI: 10.1016/j.bmcl.2010.05.041 BindingDB Entry DOI: 10.7270/Q29G5NS9
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM64682 (US9475819, 10A) Show SMILES Cc1ccc(c(c1)C(=O)N1[C@@H]2CC[C@H]1[C@H](COc1ccc(F)cn1)C2)-n1nccn1 |r,TLB:15:14:12.11:9| Show InChI InChI=1S/C22H22FN5O2/c1-14-2-5-20(28-25-8-9-26-28)18(10-14)22(29)27-17-4-6-19(27)15(11-17)13-30-21-7-3-16(23)12-24-21/h2-3,5,7-10,12,15,17,19H,4,6,11,13H2,1H3/t15-,17+,19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human OXIR				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00085 BindingDB Entry DOI: 10.7270/Q2348Q4F
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Rattus norvegicus (Rat))	BDBM409484 (1-(Azetidin-1-yl)-2-[6-(4-fluoro-3-methyl-phenyl)p...) Show SMILES Cc1cc(ccc1F)-c1cnc2ccn(CC(=O)N3CCC3)c2c1 Show InChI InChI=1S/C19H18FN3O/c1-13-9-14(3-4-16(13)20)15-10-18-17(21-11-15)5-8-23(18)12-19(24)22-6-2-7-22/h3-5,8-11H,2,6-7,12H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research & Development, LLC Curated by ChEMBL					Assay Description Displacement of [3H]-1-(azetidin-1-yl)-2-(6-(4-fluoro-3-methylphenyl)-1H-pyrrolo[3,2-b]pyridin-1-yl)ethanone from rat adult cortex GluN2B receptor me...				ACS Med Chem Lett 10: 261-266 (2019) Article DOI: 10.1021/acsmedchemlett.8b00542 BindingDB Entry DOI: 10.7270/Q2B85CG6
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50321497 ((4-cyclobutyl-1,4-diazepan-1-yl)(5-(phenylthio)pyr...) Show SMILES O=C(N1CCCN(CC1)C1CCC1)c1ccc(Sc2ccccc2)cn1 Show InChI InChI=1S/C21H25N3OS/c25-21(24-13-5-12-23(14-15-24)17-6-4-7-17)20-11-10-19(16-22-20)26-18-8-2-1-3-9-18/h1-3,8-11,16-17H,4-7,12-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development L.L.C. Curated by ChEMBL					Assay Description Displacement of [125I]-iodoproxyfan from human recombinant histamine H3 receptor expressed in human SK-N-MC cells after 1 hr by scintillation countin...				Bioorg Med Chem Lett 20: 4210-4 (2010) Article DOI: 10.1016/j.bmcl.2010.05.041 BindingDB Entry DOI: 10.7270/Q29G5NS9
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50321468 ((4-cyclobutyl-1,4-diazepan-1-yl)(6-(3-fluorophenox...) Show SMILES Fc1cccc(Oc2ccc(cn2)C(=O)N2CCCN(CC2)C2CCC2)c1 Show InChI InChI=1S/C21H24FN3O2/c22-17-4-1-7-19(14-17)27-20-9-8-16(15-23-20)21(26)25-11-3-10-24(12-13-25)18-5-2-6-18/h1,4,7-9,14-15,18H,2-3,5-6,10-13H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development L.L.C. Curated by ChEMBL					Assay Description Displacement of [125I]-iodoproxyfan from human recombinant histamine H3 receptor expressed in human SK-N-MC cells after 1 hr by scintillation countin...				Bioorg Med Chem Lett 20: 4210-4 (2010) Article DOI: 10.1016/j.bmcl.2010.05.041 BindingDB Entry DOI: 10.7270/Q29G5NS9
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Rattus norvegicus (Rat))	BDBM409560 (2-[6-(5-Chloro-4-methyl-2-thienyl)pyrrolo[3,2-b]py...) Show SMILES CN(C)C(=O)Cn1ccc2ncc(cc12)-c1cc(C)c(Cl)s1 Show InChI InChI=1S/C16H16ClN3OS/c1-10-6-14(22-16(10)17)11-7-13-12(18-8-11)4-5-20(13)9-15(21)19(2)3/h4-8H,9H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research & Development, LLC Curated by ChEMBL					Assay Description Displacement of [3H]-1-(azetidin-1-yl)-2-(6-(4-fluoro-3-methylphenyl)-1H-pyrrolo[3,2-b]pyridin-1-yl)ethanone from rat adult cortex GluN2B receptor me...				ACS Med Chem Lett 10: 261-266 (2019) Article DOI: 10.1021/acsmedchemlett.8b00542 BindingDB Entry DOI: 10.7270/Q2B85CG6
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50321498 ((4-cyclobutyl-1,4-diazepan-1-yl)(5-(2-fluorophenox...) Show SMILES Fc1ccccc1Oc1ccc(nc1)C(=O)N1CCCN(CC1)C1CCC1 Show InChI InChI=1S/C21H24FN3O2/c22-18-7-1-2-8-20(18)27-17-9-10-19(23-15-17)21(26)25-12-4-11-24(13-14-25)16-5-3-6-16/h1-2,7-10,15-16H,3-6,11-14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development L.L.C. Curated by ChEMBL					Assay Description Displacement of [125I]-iodoproxyfan from human recombinant histamine H3 receptor expressed in human SK-N-MC cells after 1 hr by scintillation countin...				Bioorg Med Chem Lett 20: 4210-4 (2010) Article DOI: 10.1016/j.bmcl.2010.05.041 BindingDB Entry DOI: 10.7270/Q29G5NS9
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50321472 ((4-cyclobutyl-1,4-diazepan-1-yl)(6-phenoxypyridin-...) Show SMILES O=C(N1CCCN(CC1)C1CCC1)c1ccc(Oc2ccccc2)nc1 Show InChI InChI=1S/C21H25N3O2/c25-21(24-13-5-12-23(14-15-24)18-6-4-7-18)17-10-11-20(22-16-17)26-19-8-2-1-3-9-19/h1-3,8-11,16,18H,4-7,12-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development L.L.C. Curated by ChEMBL					Assay Description Displacement of [125I]-iodoproxyfan from human recombinant histamine H3 receptor expressed in human SK-N-MC cells after 1 hr by scintillation countin...				Bioorg Med Chem Lett 20: 4210-4 (2010) Article DOI: 10.1016/j.bmcl.2010.05.041 BindingDB Entry DOI: 10.7270/Q29G5NS9
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50321469 ((4-cyclobutyl-1,4-diazepan-1-yl)(5-(4-fluorophenyl...) Show SMILES Fc1ccc(Sc2ccc(nc2)C(=O)N2CCCN(CC2)C2CCC2)cc1 Show InChI InChI=1S/C21H24FN3OS/c22-16-5-7-18(8-6-16)27-19-9-10-20(23-15-19)21(26)25-12-2-11-24(13-14-25)17-3-1-4-17/h5-10,15,17H,1-4,11-14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development L.L.C. Curated by ChEMBL					Assay Description Displacement of [125I]-iodoproxyfan from human recombinant histamine H3 receptor expressed in human SK-N-MC cells after 1 hr by scintillation countin...				Bioorg Med Chem Lett 20: 4210-4 (2010) Article DOI: 10.1016/j.bmcl.2010.05.041 BindingDB Entry DOI: 10.7270/Q29G5NS9
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50321500 ((5-(3-chlorophenoxy)pyridin-2-yl)(4-cyclobutyl-1,4...) Show SMILES Clc1cccc(Oc2ccc(nc2)C(=O)N2CCCN(CC2)C2CCC2)c1 Show InChI InChI=1S/C21H24ClN3O2/c22-16-4-1-7-18(14-16)27-19-8-9-20(23-15-19)21(26)25-11-3-10-24(12-13-25)17-5-2-6-17/h1,4,7-9,14-15,17H,2-3,5-6,10-13H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development L.L.C. Curated by ChEMBL					Assay Description Displacement of [125I]-iodoproxyfan from human recombinant histamine H3 receptor expressed in human SK-N-MC cells after 1 hr by scintillation countin...				Bioorg Med Chem Lett 20: 4210-4 (2010) Article DOI: 10.1016/j.bmcl.2010.05.041 BindingDB Entry DOI: 10.7270/Q29G5NS9
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM254266 (US10112937, Example 158 | US10150765, Example 158 ...) Show SMILES C[C@H]1N(CCc2c1nnn2-c1ncc(F)cn1)C(=O)c1cccc(c1Cl)C(F)(F)F |r| Show InChI InChI=1S/C18H13ClF4N6O/c1-9-15-13(29(27-26-15)17-24-7-10(20)8-25-17)5-6-28(9)16(30)11-3-2-4-12(14(11)19)18(21,22)23/h2-4,7-9H,5-6H2,1H3/t9-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research& Development, LLC , 3210 Merryfield Row, San Diego, California 92121, United States. Curated by ChEMBL					Assay Description Displacement of [3H]-A-804598 from recombinant human P2X7 expressed in human 1321N1 cells after 1 hr				J Med Chem 60: 4559-4572 (2017) Article DOI: 10.1021/acs.jmedchem.7b00408 BindingDB Entry DOI: 10.7270/Q2QN697T
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Rattus norvegicus (Rat))	BDBM254266 (US10112937, Example 158 | US10150765, Example 158 ...) Show SMILES C[C@H]1N(CCc2c1nnn2-c1ncc(F)cn1)C(=O)c1cccc(c1Cl)C(F)(F)F |r| Show InChI InChI=1S/C18H13ClF4N6O/c1-9-15-13(29(27-26-15)17-24-7-10(20)8-25-17)5-6-28(9)16(30)11-3-2-4-12(14(11)19)18(21,22)23/h2-4,7-9H,5-6H2,1H3/t9-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research& Development, LLC , 3210 Merryfield Row, San Diego, California 92121, United States. Curated by ChEMBL					Assay Description Displacement of [3H]-A-804598 from recombinant rat P2X7 expressed in human 1321N1 cells after 1 hr				J Med Chem 60: 4559-4572 (2017) Article DOI: 10.1021/acs.jmedchem.7b00408 BindingDB Entry DOI: 10.7270/Q2QN697T
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50412863 (CHEMBL359632 | JNJ-10397049) Show SMILES CC1(C)OC[C@H](NC(=O)Nc2ccc(Br)cc2Br)[C@@H](O1)c1ccccc1 |r| Show InChI InChI=1S/C19H20Br2N2O3/c1-19(2)25-11-16(17(26-19)12-6-4-3-5-7-12)23-18(24)22-15-9-8-13(20)10-14(15)21/h3-10,16-17H,11H2,1-2H3,(H2,22,23,24)/t16-,17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate by LC-MS/MS analysis				J Med Chem 58: 5620-36 (2015) Article DOI: 10.1021/acs.jmedchem.5b00742 BindingDB Entry DOI: 10.7270/Q2QR4ZWG
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Rattus norvegicus (Rat))	BDBM50509848 (CHEMBL4547576) Show SMILES CN(C)C(=O)Cn1ccc2ncc(cc12)-c1ccc(F)c(c1)C(F)F Show InChI InChI=1S/C18H16F3N3O/c1-23(2)17(25)10-24-6-5-15-16(24)8-12(9-22-15)11-3-4-14(19)13(7-11)18(20)21/h3-9,18H,10H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research & Development, LLC Curated by ChEMBL					Assay Description Displacement of [3H]-1-(azetidin-1-yl)-2-(6-(4-fluoro-3-methylphenyl)-1H-pyrrolo[3,2-b]pyridin-1-yl)ethanone from rat adult cortex GluN2B receptor me...				ACS Med Chem Lett 10: 261-266 (2019) Article DOI: 10.1021/acsmedchemlett.8b00542 BindingDB Entry DOI: 10.7270/Q2B85CG6
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50203731 (CHEMBL3973097) Show SMILES FC1(F)CCN(C[C@@H]1Oc1ccc2ccccc2n1)C(=O)c1nccc2[nH]cnc12 |r| Show InChI InChI=1S/C21H17F2N5O2/c22-21(23)8-10-28(20(29)19-18-15(7-9-24-19)25-12-26-18)11-16(21)30-17-6-5-13-3-1-2-4-14(13)27-17/h1-7,9,12,16H,8,10-11H2,(H,25,26)/t16-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human OXIR				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00085 BindingDB Entry DOI: 10.7270/Q2348Q4F
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50321501 ((5-(4-chlorophenoxy)pyridin-2-yl)(4-cyclobutyl-1,4...) Show SMILES Clc1ccc(Oc2ccc(nc2)C(=O)N2CCCN(CC2)C2CCC2)cc1 Show InChI InChI=1S/C21H24ClN3O2/c22-16-5-7-18(8-6-16)27-19-9-10-20(23-15-19)21(26)25-12-2-11-24(13-14-25)17-3-1-4-17/h5-10,15,17H,1-4,11-14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	5.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development L.L.C. Curated by ChEMBL					Assay Description Displacement of [125I]-iodoproxyfan from human recombinant histamine H3 receptor expressed in human SK-N-MC cells after 1 hr by scintillation countin...				Bioorg Med Chem Lett 20: 4210-4 (2010) Article DOI: 10.1016/j.bmcl.2010.05.041 BindingDB Entry DOI: 10.7270/Q29G5NS9
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50321499 ((4-cyclobutyl-1,4-diazepan-1-yl)(5-(3-fluorophenox...) Show SMILES Fc1cccc(Oc2ccc(nc2)C(=O)N2CCCN(CC2)C2CCC2)c1 Show InChI InChI=1S/C21H24FN3O2/c22-16-4-1-7-18(14-16)27-19-8-9-20(23-15-19)21(26)25-11-3-10-24(12-13-25)17-5-2-6-17/h1,4,7-9,14-15,17H,2-3,5-6,10-13H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	5.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development L.L.C. Curated by ChEMBL					Assay Description Displacement of [125I]-iodoproxyfan from human recombinant histamine H3 receptor expressed in human SK-N-MC cells after 1 hr by scintillation countin...				Bioorg Med Chem Lett 20: 4210-4 (2010) Article DOI: 10.1016/j.bmcl.2010.05.041 BindingDB Entry DOI: 10.7270/Q29G5NS9
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50321488 ((4-cyclobutyl-1,4-diazepan-1-yl)(4-(4-fluorophenox...) Show SMILES Fc1ccc(Oc2ccnc(c2)C(=O)N2CCCN(CC2)C2CCC2)cc1 Show InChI InChI=1S/C21H24FN3O2/c22-16-5-7-18(8-6-16)27-19-9-10-23-20(15-19)21(26)25-12-2-11-24(13-14-25)17-3-1-4-17/h5-10,15,17H,1-4,11-14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	5.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development L.L.C. Curated by ChEMBL					Assay Description Displacement of [125I]-iodoproxyfan from human recombinant histamine H3 receptor expressed in human SK-N-MC cells after 1 hr by scintillation countin...				Bioorg Med Chem Lett 20: 4210-4 (2010) Article DOI: 10.1016/j.bmcl.2010.05.041 BindingDB Entry DOI: 10.7270/Q29G5NS9
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50438822 (CHEMBL2413367) Show SMILES COc1ccc(C[C@@H]2N(CCc3cc(OC)c(OC)cc23)[C@@H](C(=O)NC(C)C)c2ccccc2)cc1OC |r| Show InChI InChI=1S/C31H38N2O5/c1-20(2)32-31(34)30(22-10-8-7-9-11-22)33-15-14-23-18-28(37-5)29(38-6)19-24(23)25(33)16-21-12-13-26(35-3)27(17-21)36-4/h7-13,17-20,25,30H,14-16H2,1-6H3,(H,32,34)/t25-,30+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human OXIR				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00085 BindingDB Entry DOI: 10.7270/Q2348Q4F
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM254160 (US10112937, Example 40 | US10150765, Example 40 | ...) Show SMILES C[C@H]1N(CCc2c1ncn2-c1ccc(F)cn1)C(=O)c1cccc(c1Cl)C(F)(F)F |r| Show InChI InChI=1S/C20H15ClF4N4O/c1-11-18-15(29(10-27-18)16-6-5-12(22)9-26-16)7-8-28(11)19(30)13-3-2-4-14(17(13)21)20(23,24)25/h2-6,9-11H,7-8H2,1H3/t11-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutical Research& Development, LLC Curated by ChEMBL					Assay Description Displacement of [3H]-(S)-7-(2-chloro-3-(trifluoromethyl)benzyl)-6-methyl-3-(pyrazin-2-yl)-6,7-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8(5H)-one from re...				J Med Chem 59: 8535-48 (2016) Article DOI: 10.1021/acs.jmedchem.6b00989 BindingDB Entry DOI: 10.7270/Q28K7C1M
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Rattus norvegicus (Rat))	BDBM50097388 (CHEMBL3586426) Show SMILES [H][C@@]12CN(C[C@]1([H])CN(C2)c1nc(C)cc(C)n1)C(=O)c1ccccc1-c1cccs1 |r| Show InChI InChI=1S/C23H24N4OS/c1-15-10-16(2)25-23(24-15)27-13-17-11-26(12-18(17)14-27)22(28)20-7-4-3-6-19(20)21-8-5-9-29-21/h3-10,17-18H,11-14H2,1-2H3/t17-,18+	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity to rat OX2 receptor				J Med Chem 58: 5620-36 (2015) Article DOI: 10.1021/acs.jmedchem.5b00742 BindingDB Entry DOI: 10.7270/Q2QR4ZWG
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Rattus norvegicus (Rat))	BDBM254160 (US10112937, Example 40 | US10150765, Example 40 | ...) Show SMILES C[C@H]1N(CCc2c1ncn2-c1ccc(F)cn1)C(=O)c1cccc(c1Cl)C(F)(F)F |r| Show InChI InChI=1S/C20H15ClF4N4O/c1-11-18-15(29(10-27-18)16-6-5-12(22)9-26-16)7-8-28(11)19(30)13-3-2-4-14(17(13)21)20(23,24)25/h2-6,9-11H,7-8H2,1H3/t11-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutical Research& Development, LLC Curated by ChEMBL					Assay Description Displacement of [3H]-(S)-7-(2-chloro-3-(trifluoromethyl)benzyl)-6-methyl-3-(pyrazin-2-yl)-6,7-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8(5H)-one from re...				J Med Chem 59: 8535-48 (2016) Article DOI: 10.1021/acs.jmedchem.6b00989 BindingDB Entry DOI: 10.7270/Q28K7C1M
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50321471 ((4-cyclobutyl-1,4-diazepan-1-yl)(6-(3,4-dichloroph...) Show SMILES Clc1ccc(Oc2ccc(cn2)C(=O)N2CCCN(CC2)C2CCC2)cc1Cl Show InChI InChI=1S/C21H23Cl2N3O2/c22-18-7-6-17(13-19(18)23)28-20-8-5-15(14-24-20)21(27)26-10-2-9-25(11-12-26)16-3-1-4-16/h5-8,13-14,16H,1-4,9-12H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	7.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development L.L.C. Curated by ChEMBL					Assay Description Displacement of [125I]-iodoproxyfan from human recombinant histamine H3 receptor expressed in human SK-N-MC cells after 1 hr by scintillation countin...				Bioorg Med Chem Lett 20: 4210-4 (2010) Article DOI: 10.1016/j.bmcl.2010.05.041 BindingDB Entry DOI: 10.7270/Q29G5NS9
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Rattus norvegicus (Rat))	BDBM409128 (2-[6-(4-Fluoro-3-methyl-phenyl)pyrrolo[3,2-b]pyrid...) Show SMILES Cc1cc(ccc1F)-c1cnc2ccn(CC(=O)N3CCCC3)c2c1 Show InChI InChI=1S/C20H20FN3O/c1-14-10-15(4-5-17(14)21)16-11-19-18(22-12-16)6-9-24(19)13-20(25)23-7-2-3-8-23/h4-6,9-12H,2-3,7-8,13H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research & Development, LLC Curated by ChEMBL					Assay Description Displacement of [3H]-1-(azetidin-1-yl)-2-(6-(4-fluoro-3-methylphenyl)-1H-pyrrolo[3,2-b]pyridin-1-yl)ethanone from rat adult cortex GluN2B receptor me...				ACS Med Chem Lett 10: 261-266 (2019) Article DOI: 10.1021/acsmedchemlett.8b00542 BindingDB Entry DOI: 10.7270/Q2B85CG6
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50097360 (CHEMBL3586440) Show SMILES [H][C@@]12CN(C[C@]1([H])CN(C2)c1nc(C)cc(C)n1)C(=O)c1c(C)cccc1-n1nccn1 |r| Show InChI InChI=1S/C22H25N7O/c1-14-5-4-6-19(29-23-7-8-24-29)20(14)21(30)27-10-17-12-28(13-18(17)11-27)22-25-15(2)9-16(3)26-22/h4-9,17-18H,10-13H2,1-3H3/t17-,18+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity to human OX2 receptor				J Med Chem 58: 5620-36 (2015) Article DOI: 10.1021/acs.jmedchem.5b00742 BindingDB Entry DOI: 10.7270/Q2QR4ZWG
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM163902 (US9062078, 33 | US9475819, 33 | US9637496, 33 | US...) Show SMILES Cc1ccc(-c2ncccn2)c(c1)C(=O)N1C2CCC1C(COc1ccc(F)cn1)C2 |TLB:21:20:18.17:15| Show InChI InChI=1S/C24H23FN4O2/c1-15-3-6-19(23-26-9-2-10-27-23)20(11-15)24(30)29-18-5-7-21(29)16(12-18)14-31-22-8-4-17(25)13-28-22/h2-4,6,8-11,13,16,18,21H,5,7,12,14H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	8.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human OXIR				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00085 BindingDB Entry DOI: 10.7270/Q2348Q4F
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM65032 (US9475819, 279) Show SMILES Fc1cccc(C(=O)N2[C@@H]3CC[C@H]2[C@@H](C3)Nc2ccc(cn2)C(F)(F)F)c1-c1ncccn1 |r,TLB:15:13:11.10:8| Show InChI InChI=1S/C23H19F4N5O/c24-16-4-1-3-15(20(16)21-28-9-2-10-29-21)22(33)32-14-6-7-18(32)17(11-14)31-19-8-5-13(12-30-19)23(25,26)27/h1-5,8-10,12,14,17-18H,6-7,11H2,(H,30,31)/t14-,17-,18+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human OXIR				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00085 BindingDB Entry DOI: 10.7270/Q2348Q4F
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50097388 (CHEMBL3586426) Show SMILES [H][C@@]12CN(C[C@]1([H])CN(C2)c1nc(C)cc(C)n1)C(=O)c1ccccc1-c1cccs1 |r| Show InChI InChI=1S/C23H24N4OS/c1-15-10-16(2)25-23(24-15)27-13-17-11-26(12-18(17)14-27)22(28)20-7-4-3-6-19(20)21-8-5-9-29-21/h3-10,17-18H,11-14H2,1-2H3/t17-,18+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity to human OX2 receptor				J Med Chem 58: 5620-36 (2015) Article DOI: 10.1021/acs.jmedchem.5b00742 BindingDB Entry DOI: 10.7270/Q2QR4ZWG
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Rattus norvegicus (Rat))	BDBM50092814 (CHEMBL3586436) Show SMILES [H][C@@]12CN(C[C@]1([H])CN(C2)c1nc(C)cc(C)n1)C(=O)c1c(F)cccc1-n1nccn1 |r| Show InChI InChI=1S/C21H22FN7O/c1-13-8-14(2)26-21(25-13)28-11-15-9-27(10-16(15)12-28)20(30)19-17(22)4-3-5-18(19)29-23-6-7-24-29/h3-8,15-16H,9-12H2,1-2H3/t15-,16+	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity to rat OX2 receptor				J Med Chem 58: 5620-36 (2015) Article DOI: 10.1021/acs.jmedchem.5b00742 BindingDB Entry DOI: 10.7270/Q2QR4ZWG
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50321502 ((4-cyclopropyl-1,4-diazepan-1-yl)(5-(3,4-dichlorop...) Show SMILES Clc1ccc(Oc2ccc(nc2)C(=O)N2CCCN(CC2)C2CC2)cc1Cl Show InChI InChI=1S/C20H21Cl2N3O2/c21-17-6-4-15(12-18(17)22)27-16-5-7-19(23-13-16)20(26)25-9-1-8-24(10-11-25)14-2-3-14/h4-7,12-14H,1-3,8-11H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development L.L.C. Curated by ChEMBL					Assay Description Displacement of [125I]-iodoproxyfan from human recombinant histamine H3 receptor expressed in human SK-N-MC cells after 1 hr by scintillation countin...				Bioorg Med Chem Lett 20: 4210-4 (2010) Article DOI: 10.1016/j.bmcl.2010.05.041 BindingDB Entry DOI: 10.7270/Q29G5NS9
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50321507 ((4-cyclopropyl-1,4-diazepan-1-yl)(6-phenoxypyridin...) Show SMILES O=C(N1CCCN(CC1)C1CC1)c1ccc(Oc2ccccc2)nc1 Show InChI InChI=1S/C20H23N3O2/c24-20(23-12-4-11-22(13-14-23)17-8-9-17)16-7-10-19(21-15-16)25-18-5-2-1-3-6-18/h1-3,5-7,10,15,17H,4,8-9,11-14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development L.L.C. Curated by ChEMBL					Assay Description Displacement of [125I]-iodoproxyfan from human recombinant histamine H3 receptor expressed in human SK-N-MC cells after 1 hr by scintillation countin...				Bioorg Med Chem Lett 20: 4210-4 (2010) Article DOI: 10.1016/j.bmcl.2010.05.041 BindingDB Entry DOI: 10.7270/Q29G5NS9
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50321471 ((4-cyclobutyl-1,4-diazepan-1-yl)(6-(3,4-dichloroph...) Show SMILES Clc1ccc(Oc2ccc(cn2)C(=O)N2CCCN(CC2)C2CCC2)cc1Cl Show InChI InChI=1S/C21H23Cl2N3O2/c22-18-7-6-17(13-19(18)23)28-20-8-5-15(14-24-20)21(27)26-10-2-9-25(11-12-26)16-3-1-4-16/h5-8,13-14,16H,1-4,9-12H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development L.L.C. Curated by ChEMBL					Assay Description Binding affinity to histamine H3 receptor in rat brain				Bioorg Med Chem Lett 20: 4210-4 (2010) Article DOI: 10.1016/j.bmcl.2010.05.041 BindingDB Entry DOI: 10.7270/Q29G5NS9
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50092813 (CHEMBL3586434) Show SMILES [H][C@@]12CN(C[C@]1([H])CN(C2)c1nc(C)cc(C)n1)C(=O)c1ccc(F)cc1-n1nccn1 |r| Show InChI InChI=1S/C21H22FN7O/c1-13-7-14(2)26-21(25-13)28-11-15-9-27(10-16(15)12-28)20(30)18-4-3-17(22)8-19(18)29-23-5-6-24-29/h3-8,15-16H,9-12H2,1-2H3/t15-,16+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity to human OX2 receptor				J Med Chem 58: 5620-36 (2015) Article DOI: 10.1021/acs.jmedchem.5b00742 BindingDB Entry DOI: 10.7270/Q2QR4ZWG
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Rattus norvegicus (Rat))	BDBM50092812 (CHEMBL3586433) Show SMILES [H][C@@]12CN(C[C@]1([H])CN(C2)c1nc(C)cc(C)n1)C(=O)c1cccc(F)c1-n1nccn1 |r| Show InChI InChI=1S/C21H22FN7O/c1-13-8-14(2)26-21(25-13)28-11-15-9-27(10-16(15)12-28)20(30)17-4-3-5-18(22)19(17)29-23-6-7-24-29/h3-8,15-16H,9-12H2,1-2H3/t15-,16+	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity to rat OX2 receptor				J Med Chem 58: 5620-36 (2015) Article DOI: 10.1021/acs.jmedchem.5b00742 BindingDB Entry DOI: 10.7270/Q2QR4ZWG
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50092814 (CHEMBL3586436) Show SMILES [H][C@@]12CN(C[C@]1([H])CN(C2)c1nc(C)cc(C)n1)C(=O)c1c(F)cccc1-n1nccn1 |r| Show InChI InChI=1S/C21H22FN7O/c1-13-8-14(2)26-21(25-13)28-11-15-9-27(10-16(15)12-28)20(30)19-17(22)4-3-5-18(19)29-23-6-7-24-29/h3-8,15-16H,9-12H2,1-2H3/t15-,16+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity to human OX2 receptor				J Med Chem 58: 5620-36 (2015) Article DOI: 10.1021/acs.jmedchem.5b00742 BindingDB Entry DOI: 10.7270/Q2QR4ZWG
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM163879 (US9062078, 11 | US9062078, 12A | US9062078, 12B | ...) Show SMILES Fc1ccc(OCC2CC3CCC2N3C(=O)c2ccccc2-c2cccs2)nc1 |THB:6:7:11.10:13| Show InChI InChI=1S/C23H21FN2O2S/c24-16-7-10-22(25-13-16)28-14-15-12-17-8-9-20(15)26(17)23(27)19-5-2-1-4-18(19)21-6-3-11-29-21/h1-7,10-11,13,15,17,20H,8-9,12,14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human OXIR				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00085 BindingDB Entry DOI: 10.7270/Q2348Q4F
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM163876 (US9062078, 10A | US9062078, 10B | US9062078, 9 | U...) Show SMILES Cc1ccc(c(c1)C(=O)N1C2CCC1C(COc1ccc(F)cn1)C2)-n1nccn1 |TLB:15:14:12.11:9| Show InChI InChI=1S/C22H22FN5O2/c1-14-2-5-20(28-25-8-9-26-28)18(10-14)22(29)27-17-4-6-19(27)15(11-17)13-30-21-7-3-16(23)12-24-21/h2-3,5,7-10,12,15,17,19H,4,6,11,13H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human OXIR				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00085 BindingDB Entry DOI: 10.7270/Q2348Q4F
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Rattus norvegicus (Rat))	BDBM409482 (1-(3-Fluoroazetidin-1-yl)-2-[6-(4-fluoro-3-methyl-...) Show SMILES Cc1cc(ccc1F)-c1cnc2ccn(CC(=O)N3CC(F)C3)c2c1 Show InChI InChI=1S/C19H17F2N3O/c1-12-6-13(2-3-16(12)21)14-7-18-17(22-8-14)4-5-23(18)11-19(25)24-9-15(20)10-24/h2-8,15H,9-11H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research & Development, LLC Curated by ChEMBL					Assay Description Displacement of [3H]-1-(azetidin-1-yl)-2-(6-(4-fluoro-3-methylphenyl)-1H-pyrrolo[3,2-b]pyridin-1-yl)ethanone from rat adult cortex GluN2B receptor me...				ACS Med Chem Lett 10: 261-266 (2019) Article DOI: 10.1021/acsmedchemlett.8b00542 BindingDB Entry DOI: 10.7270/Q2B85CG6
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50321491 ((4-cyclobutyl-1,4-diazepan-1-yl)(5-phenoxypyridin-...) Show SMILES O=C(N1CCCN(CC1)C1CCC1)c1cncc(Oc2ccccc2)c1 Show InChI InChI=1S/C21H25N3O2/c25-21(24-11-5-10-23(12-13-24)18-6-4-7-18)17-14-20(16-22-15-17)26-19-8-2-1-3-9-19/h1-3,8-9,14-16,18H,4-7,10-13H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development L.L.C. Curated by ChEMBL					Assay Description Displacement of [125I]-iodoproxyfan from human recombinant histamine H3 receptor expressed in human SK-N-MC cells after 1 hr by scintillation countin...				Bioorg Med Chem Lett 20: 4210-4 (2010) Article DOI: 10.1016/j.bmcl.2010.05.041 BindingDB Entry DOI: 10.7270/Q29G5NS9
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Rattus norvegicus (Rat))	BDBM409275 (2-[6-(4-Fluoro-3-methyl-phenyl)pyrrolo[3,2-b]pyrid...) Show SMILES CN(C)C(=O)Cn1ccc2ncc(cc12)-c1ccc(F)c(C)c1 Show InChI InChI=1S/C18H18FN3O/c1-12-8-13(4-5-15(12)19)14-9-17-16(20-10-14)6-7-22(17)11-18(23)21(2)3/h4-10H,11H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research & Development, LLC Curated by ChEMBL					Assay Description Displacement of [3H]-1-(azetidin-1-yl)-2-(6-(4-fluoro-3-methylphenyl)-1H-pyrrolo[3,2-b]pyridin-1-yl)ethanone from rat adult cortex GluN2B receptor me...				ACS Med Chem Lett 10: 261-266 (2019) Article DOI: 10.1021/acsmedchemlett.8b00542 BindingDB Entry DOI: 10.7270/Q2B85CG6
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50321466 (3-(5-(4-cyclobutyl-1,4-diazepane-1-carbonyl)pyridi...) Show SMILES O=C(N1CCCN(CC1)C1CCC1)c1ccc(Oc2cccc(c2)C#N)nc1 Show InChI InChI=1S/C22H24N4O2/c23-15-17-4-1-7-20(14-17)28-21-9-8-18(16-24-21)22(27)26-11-3-10-25(12-13-26)19-5-2-6-19/h1,4,7-9,14,16,19H,2-3,5-6,10-13H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development L.L.C. Curated by ChEMBL					Assay Description Binding affinity to histamine H3 receptor in rat brain				Bioorg Med Chem Lett 20: 4210-4 (2010) Article DOI: 10.1016/j.bmcl.2010.05.041 BindingDB Entry DOI: 10.7270/Q29G5NS9
					More data for this Ligand-Target Pair

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