Compile Data Set for Download or QSAR

Found 442 hits with Last Name = 'hauser' and Initial = 'k'   

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
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50361235 (CHEMBL1934525) Show SMILES C[C@@H]1CCCN1CCc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)CC1CCOCC1 |r| Show InChI InChI=1S/C25H33NO3S/c1-20-3-2-15-26(20)16-12-21-4-6-23(7-5-21)24-8-10-25(11-9-24)30(27,28)19-22-13-17-29-18-14-22/h4-11,20,22H,2-3,12-19H2,1H3/t20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	0.170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Arena Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of N-[3H]-methylhistamine from histamine H3 receptor in rat cortex membranes				Bioorg Med Chem Lett 22: 71-5 (2011) Article DOI: 10.1016/j.bmcl.2011.11.075 BindingDB Entry DOI: 10.7270/Q27M08C7
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50352357 (CHEMBL558655) Show SMILES CC1CCCN1CCc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)NCc1ccncc1 Show InChI InChI=1S/C25H29N3O2S/c1-20-3-2-17-28(20)18-14-21-4-6-23(7-5-21)24-8-10-25(11-9-24)31(29,30)27-19-22-12-15-26-16-13-22/h4-13,15-16,20,27H,2-3,14,17-19H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.182	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Arena Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of N-[3H]methylhistamine from histamine H3 receptor in rat cortex membrane				J Med Chem 52: 5603-11 (2009) Article DOI: 10.1021/jm900857n BindingDB Entry DOI: 10.7270/Q2KW5G2F
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50361237 (CHEMBL1934527) Show SMILES C[C@@H]1CCCN1CCc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)CC1CCCCO1 |r| Show InChI InChI=1S/C25H33NO3S/c1-20-5-4-16-26(20)17-15-21-7-9-22(10-8-21)23-11-13-25(14-12-23)30(27,28)19-24-6-2-3-18-29-24/h7-14,20,24H,2-6,15-19H2,1H3/t20-,24?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Arena Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of N-[3H]-methylhistamine from histamine H3 receptor in rat cortex membranes				Bioorg Med Chem Lett 22: 71-5 (2011) Article DOI: 10.1016/j.bmcl.2011.11.075 BindingDB Entry DOI: 10.7270/Q27M08C7
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM160935 (US10167299, Maraviroc | US9107954, maraviroc) Show SMILES CC(C)c1nnc(C)n1C1CC2CCC(C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccccc1 |r,TLB:17:16:12.13:15.10.9,THB:8:9:16:12.13| Show InChI InChI=1S/C29H41F2N5O/c1-19(2)27-34-33-20(3)36(27)25-17-23-9-10-24(18-25)35(23)16-13-26(21-7-5-4-6-8-21)32-28(37)22-11-14-29(30,31)15-12-22/h4-8,19,22-26H,9-18H2,1-3H3,(H,32,37)/t23?,24?,25?,26-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	US Patent	0.240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University US Patent					Assay Description Afterwards, the pharmacological profile of bivalent ligand 1 at the chemokine receptor CCR5 was characterized similarly. The competitive radioligand ...				US Patent US9107954 (2015) BindingDB Entry DOI: 10.7270/Q27943D1
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Macaca fascicularis)	BDBM50334986 (4,4-Difluoro-cyclohexanecarboxylic acid {(S)-3-[(1...) Show SMILES CC(C)c1nnc(C)n1[C@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccccc1 |r,TLB:17:16:9.15.10:13.12| Show InChI InChI=1S/C29H41F2N5O/c1-19(2)27-34-33-20(3)36(27)25-17-23-9-10-24(18-25)35(23)16-13-26(21-7-5-4-6-8-21)32-28(37)22-11-14-29(30,31)15-12-22/h4-8,19,22-26H,9-18H2,1-3H3,(H,32,37)/t23-,24+,25-,26-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Displacement of [125I]-MIP-1alpha from CCR5 in rhesus monkey Chem-1 cell membranes after 120 mins by liquid scintillation counting analysis				Medchemcomm 4: 847-851 (2013) Article DOI: 10.1039/c3md00080j BindingDB Entry DOI: 10.7270/Q2474DTH
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Macaca fascicularis)	BDBM50464147 (CHEMBL256907) Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)n1c(C)nnc1C(C)C)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccccc1 |r,TLB:9:7:2.3:18| Show InChI InChI=1S/C29H41F2N5O/c1-19(2)27-34-33-20(3)36(27)25-17-23-9-10-24(18-25)35(23)16-13-26(21-7-5-4-6-8-21)32-28(37)22-11-14-29(30,31)15-12-22/h4-8,19,22-26H,9-18H2,1-3H3,(H,32,37)/t23-,24+,25+,26-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	0.240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [125I]MIP-1alpha from CCR5 receptor in rhesus monkey membrane incubated for 120 mins by liquid scintillation counting analysis				Citation and Details Article DOI: 10.1016/j.bmc.2016.09.059 BindingDB Entry DOI: 10.7270/Q2HD80CC
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50352358 (CHEMBL558456) Show SMILES CC1CCCN1CCc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)NCc1ccccc1 Show InChI InChI=1S/C26H30N2O2S/c1-21-6-5-18-28(21)19-17-22-9-11-24(12-10-22)25-13-15-26(16-14-25)31(29,30)27-20-23-7-3-2-4-8-23/h2-4,7-16,21,27H,5-6,17-20H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.295	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Arena Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of N-[3H]methylhistamine from histamine H3 receptor in rat cortex membrane				J Med Chem 52: 5603-11 (2009) Article DOI: 10.1021/jm900857n BindingDB Entry DOI: 10.7270/Q2KW5G2F
					More data for this Ligand-Target Pair
Mu-type opioid receptor (MOUSE)	BDBM60212 ((4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(o...) Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O Show InChI InChI=1S/C20H23NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,15,18,22,24H,1-2,5-10H2/t15-,18+,19+,20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE KEGG 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
TBA					Assay Description Displacement of [3H]NLX from mouse MOR expressed in CHO cell membrane incubated for 90 mins by liquid scintillation spectrophotometry				Citation and Details Article DOI: 10.1016/j.bmc.2016.09.059 BindingDB Entry DOI: 10.7270/Q2HD80CC
					More data for this Ligand-Target Pair
Mu-type opioid receptor (MOUSE)	BDBM60212 ((4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(o...) Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O Show InChI InChI=1S/C20H23NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,15,18,22,24H,1-2,5-10H2/t15-,18+,19+,20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE KEGG 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
TBA					Assay Description Displacement of [3H]-NLX from mouse mu opioid receptor expressed in CHO cells measured after 1.5 hrs by competitive-binding assay				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00444 BindingDB Entry DOI: 10.7270/Q2M04947
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50324540 (CHEMBL1215661 | Pruvanserin) Show SMILES Fc1ccc(CCN2CCN(CC2)C(=O)c2cccc3c(c[nH]c23)C#N)cc1 Show InChI InChI=1S/C22H21FN4O/c23-18-6-4-16(5-7-18)8-9-26-10-12-27(13-11-26)22(28)20-3-1-2-19-17(14-24)15-25-21(19)20/h1-7,15,25H,8-13H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.480	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Arena Pharmaceuticals. Curated by ChEMBL					Assay Description Displacement of [125I]DOI from human recombinant 5HT2A receptor expressed in HEK293 cells after 1 hr by scintillation counting				J Med Chem 53: 5696-706 (2010) Article DOI: 10.1021/jm100479q BindingDB Entry DOI: 10.7270/Q2CV4HZX
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50414743 (CHEMBL564803) Show SMILES CC1CCCN1CCc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N1Cc2ccccc2C1 Show InChI InChI=1S/C27H30N2O2S/c1-21-5-4-17-28(21)18-16-22-8-10-23(11-9-22)24-12-14-27(15-13-24)32(30,31)29-19-25-6-2-3-7-26(25)20-29/h2-3,6-15,21H,4-5,16-20H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.501	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Arena Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of N-[3H]methylhistamine from histamine H3 receptor in rat cortex membrane				J Med Chem 52: 5603-11 (2009) Article DOI: 10.1021/jm900857n BindingDB Entry DOI: 10.7270/Q2KW5G2F
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50324541 (1-[3-(4-Bromo-2-methyl-2H-pyrazol-3-yl)-4-methoxyp...) Show SMILES COc1ccc(NC(=O)Nc2ccc(F)cc2F)cc1-c1c(Br)cnn1C |(4.32,-10.34,;4.33,-11.88,;3,-12.66,;1.65,-11.89,;.32,-12.66,;.33,-14.2,;-1,-14.97,;-2.33,-14.2,;-2.34,-12.66,;-3.67,-14.97,;-5,-14.21,;-6.34,-14.98,;-7.67,-14.21,;-7.67,-12.66,;-9.01,-11.89,;-6.34,-11.89,;-5.01,-12.66,;-3.68,-11.88,;1.67,-14.97,;3,-14.2,;4.33,-14.97,;4.09,-16.48,;2.72,-17.18,;5.46,-17.18,;6.55,-16.08,;5.84,-14.71,;6.54,-13.34,)| Show InChI InChI=1S/C18H15BrF2N4O2/c1-25-17(13(19)9-22-25)12-8-11(4-6-16(12)27-2)23-18(26)24-15-5-3-10(20)7-14(15)21/h3-9H,1-2H3,(H2,23,24,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.510	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Arena Pharmaceuticals. Curated by ChEMBL					Assay Description Displacement of [125I]DOI from human recombinant 5HT2A receptor expressed in HEK293 cells after 1 hr by scintillation counting				J Med Chem 53: 5696-706 (2010) Article DOI: 10.1021/jm100479q BindingDB Entry DOI: 10.7270/Q2CV4HZX
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50361228 (CHEMBL1934358) Show SMILES C[C@@H]1CCCN1CCc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)Cc1ccccc1 |r| Show InChI InChI=1S/C26H29NO2S/c1-21-6-5-18-27(21)19-17-22-9-11-24(12-10-22)25-13-15-26(16-14-25)30(28,29)20-23-7-3-2-4-8-23/h2-4,7-16,21H,5-6,17-20H2,1H3/t21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt 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
Arena Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of N-[3H]-methylhistamine from histamine H3 receptor in rat cortex membranes				Bioorg Med Chem Lett 22: 71-5 (2011) Article DOI: 10.1016/j.bmcl.2011.11.075 BindingDB Entry DOI: 10.7270/Q27M08C7
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50361226 (CHEMBL1934356) Show SMILES CCCS(=O)(=O)c1ccc(cc1)-c1ccc(CCN2CCC[C@H]2C)cc1 |r| Show InChI InChI=1S/C22H29NO2S/c1-3-17-26(24,25)22-12-10-21(11-13-22)20-8-6-19(7-9-20)14-16-23-15-4-5-18(23)2/h6-13,18H,3-5,14-17H2,1-2H3/t18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt 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
Arena Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of N-[3H]-methylhistamine from histamine H3 receptor in rat cortex membranes				Bioorg Med Chem Lett 22: 71-5 (2011) Article DOI: 10.1016/j.bmcl.2011.11.075 BindingDB Entry DOI: 10.7270/Q27M08C7
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50352354 (CHEMBL554506) Show SMILES COC1CCN(CC1)S(=O)(=O)c1ccc(cc1)-c1ccc(CCN2CCCC2C)cc1 Show InChI InChI=1S/C25H34N2O3S/c1-20-4-3-16-26(20)17-13-21-5-7-22(8-6-21)23-9-11-25(12-10-23)31(28,29)27-18-14-24(30-2)15-19-27/h5-12,20,24H,3-4,13-19H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.646	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Arena Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of N-[3H]methylhistamine from histamine H3 receptor in rat cortex membrane				J Med Chem 52: 5603-11 (2009) Article DOI: 10.1021/jm900857n BindingDB Entry DOI: 10.7270/Q2KW5G2F
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50361233 (CHEMBL1934523) Show SMILES COCCCS(=O)(=O)c1ccc(cc1)-c1ccc(CCN2CCC[C@H]2C)cc1 |r| Show InChI InChI=1S/C23H31NO3S/c1-19-5-3-15-24(19)16-14-20-6-8-21(9-7-20)22-10-12-23(13-11-22)28(25,26)18-4-17-27-2/h6-13,19H,3-5,14-18H2,1-2H3/t19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Arena Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of N-[3H]-methylhistamine from histamine H3 receptor in rat cortex membranes				Bioorg Med Chem Lett 22: 71-5 (2011) Article DOI: 10.1016/j.bmcl.2011.11.075 BindingDB Entry DOI: 10.7270/Q27M08C7
					More data for this Ligand-Target Pair
Mu-type opioid receptor (MOUSE)	BDBM60212 ((4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(o...) Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O Show InChI InChI=1S/C20H23NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,15,18,22,24H,1-2,5-10H2/t15-,18+,19+,20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-naloxone from mouse MOR expressed in CHO cells incubated for 1.5 hrs by competitive radioligand binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00408 BindingDB Entry DOI: 10.7270/Q2R49VPJ
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM60212 ((4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(o...) Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O Show InChI InChI=1S/C20H23NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,15,18,22,24H,1-2,5-10H2/t15-,18+,19+,20-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem Similars	DrugBank US Patent	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University US Patent					Assay Description A bivalent ligand 1 (FIG. 14) that combines the pharmacophores of naltrexone (a MOR antagonist) and maraviroc (a CCR5 antagonist) into one molecule w...				US Patent US9107954 (2015) BindingDB Entry DOI: 10.7270/Q27943D1
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM60212 ((4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(o...) Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O Show InChI InChI=1S/C20H23NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,15,18,22,24H,1-2,5-10H2/t15-,18+,19+,20-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem Similars	DrugBank Article PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Displacement of [3H]-naloxone from human mu opioid receptor expressed in CHO cells after 1 hr				Medchemcomm 4: 847-851 (2013) Article DOI: 10.1039/c3md00080j BindingDB Entry DOI: 10.7270/Q2474DTH
					More data for this Ligand-Target Pair
Mu-type opioid receptor (MOUSE)	BDBM50392801 (CHEMBL2151247) Show SMILES CNC(=O)COCC(=O)NCCCCCNC(=O)COCC(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45 |r| Show InChI InChI=1S/C34H49N5O9/c1-35-26(41)17-46-18-27(42)36-12-3-2-4-13-37-28(43)19-47-20-29(44)38-23-9-10-34(45)25-15-22-7-8-24(40)31-30(22)33(34,32(23)48-31)11-14-39(25)16-21-5-6-21/h7-8,21,23,25,32,40,45H,2-6,9-20H2,1H3,(H,35,41)(H,36,42)(H,37,43)(H,38,44)/t23-,25-,32+,33+,34-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.780	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]NLX from mouse MOR expressed in CHO cell membrane incubated for 90 mins by liquid scintillation spectrophotometry				Citation and Details Article DOI: 10.1016/j.bmc.2016.09.059 BindingDB Entry DOI: 10.7270/Q2HD80CC
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50361234 (CHEMBL1934524) Show SMILES C[C@@H]1CCCN1CCc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)CCCO |r| Show InChI InChI=1S/C22H29NO3S/c1-18-4-2-14-23(18)15-13-19-5-7-20(8-6-19)21-9-11-22(12-10-21)27(25,26)17-3-16-24/h5-12,18,24H,2-4,13-17H2,1H3/t18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Arena Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of N-[3H]-methylhistamine from histamine H3 receptor in rat cortex membranes				Bioorg Med Chem Lett 22: 71-5 (2011) Article DOI: 10.1016/j.bmcl.2011.11.075 BindingDB Entry DOI: 10.7270/Q27M08C7
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50361225 (CHEMBL1934355) Show SMILES CCS(=O)(=O)c1ccc(cc1)-c1ccc(CCN2CCC[C@H]2C)cc1 |r| Show InChI InChI=1S/C21H27NO2S/c1-3-25(23,24)21-12-10-20(11-13-21)19-8-6-18(7-9-19)14-16-22-15-4-5-17(22)2/h6-13,17H,3-5,14-16H2,1-2H3/t17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Arena Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of N-[3H]-methylhistamine from histamine H3 receptor in rat cortex membranes				Bioorg Med Chem Lett 22: 71-5 (2011) Article DOI: 10.1016/j.bmcl.2011.11.075 BindingDB Entry DOI: 10.7270/Q27M08C7
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50352355 (CHEMBL560140) Show SMILES CC1CCCN1CCc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N1CCS(=O)(=O)CC1 Show InChI InChI=1S/C23H30N2O4S2/c1-19-3-2-13-24(19)14-12-20-4-6-21(7-5-20)22-8-10-23(11-9-22)31(28,29)25-15-17-30(26,27)18-16-25/h4-11,19H,2-3,12-18H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.933	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Arena Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of N-[3H]methylhistamine from histamine H3 receptor in rat cortex membrane				J Med Chem 52: 5603-11 (2009) Article DOI: 10.1021/jm900857n BindingDB Entry DOI: 10.7270/Q2KW5G2F
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50361232 (CHEMBL1934522) Show SMILES CCOCCS(=O)(=O)c1ccc(cc1)-c1ccc(CCN2CCC[C@H]2C)cc1 |r| Show InChI InChI=1S/C23H31NO3S/c1-3-27-17-18-28(25,26)23-12-10-22(11-13-23)21-8-6-20(7-9-21)14-16-24-15-4-5-19(24)2/h6-13,19H,3-5,14-18H2,1-2H3/t19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt 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
Arena Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of N-[3H]-methylhistamine from histamine H3 receptor in rat cortex membranes				Bioorg Med Chem Lett 22: 71-5 (2011) Article DOI: 10.1016/j.bmcl.2011.11.075 BindingDB Entry DOI: 10.7270/Q27M08C7
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50361229 (CHEMBL1934519) Show SMILES C[C@@H]1CCCN1CCc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)C1CCCC1 |r| Show InChI InChI=1S/C24H31NO2S/c1-19-5-4-17-25(19)18-16-20-8-10-21(11-9-20)22-12-14-24(15-13-22)28(26,27)23-6-2-3-7-23/h8-15,19,23H,2-7,16-18H2,1H3/t19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt 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
Arena Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of N-[3H]-methylhistamine from histamine H3 receptor in rat cortex membranes				Bioorg Med Chem Lett 22: 71-5 (2011) Article DOI: 10.1016/j.bmcl.2011.11.075 BindingDB Entry DOI: 10.7270/Q27M08C7
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50297368 (4-{4'-[2-((R)-2-Methyl-pyrrolidin-1-yl)-ethyl]-bip...) Show SMILES C[C@@H]1CCCN1CCc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N1CCOCC1 |r| Show InChI InChI=1S/C23H30N2O3S/c1-19-3-2-13-24(19)14-12-20-4-6-21(7-5-20)22-8-10-23(11-9-22)29(26,27)25-15-17-28-18-16-25/h4-11,19H,2-3,12-18H2,1H3/t19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Arena Pharmaceuticals Curated by ChEMBL					Assay Description Inverse agonist activity against human histamine H3 receptor by [35S]GTPgamma binding assay				J Med Chem 52: 5603-11 (2009) Article DOI: 10.1021/jm900857n BindingDB Entry DOI: 10.7270/Q2KW5G2F
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50297367 (4'-[2-((R)-2-Methyl-pyrrolidin-1-yl)-ethyl]-biphen...) Show SMILES C[C@@H]1CCCN1CCc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)NC1CCOCC1 |r| Show InChI InChI=1S/C24H32N2O3S/c1-19-3-2-15-26(19)16-12-20-4-6-21(7-5-20)22-8-10-24(11-9-22)30(27,28)25-23-13-17-29-18-14-23/h4-11,19,23,25H,2-3,12-18H2,1H3/t19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Arena Pharmaceuticals Curated by ChEMBL					Assay Description Inverse agonist activity against human histamine H3 receptor by [35S]GTPgamma binding assay				J Med Chem 52: 5603-11 (2009) Article DOI: 10.1021/jm900857n BindingDB Entry DOI: 10.7270/Q2KW5G2F
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50297366 (4'-[2-((R)-2-Methyl-pyrrolidin-1-yl)-ethyl]-biphen...) Show SMILES CCNS(=O)(=O)c1ccc(cc1)-c1ccc(CCN2CCC[C@H]2C)cc1 |r| Show InChI InChI=1S/C21H28N2O2S/c1-3-22-26(24,25)21-12-10-20(11-13-21)19-8-6-18(7-9-19)14-16-23-15-4-5-17(23)2/h6-13,17,22H,3-5,14-16H2,1-2H3/t17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Arena Pharmaceuticals Curated by ChEMBL					Assay Description Inverse agonist activity against human histamine H3 receptor by [35S]GTPgamma binding assay				J Med Chem 52: 5603-11 (2009) Article DOI: 10.1021/jm900857n BindingDB Entry DOI: 10.7270/Q2KW5G2F
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50361236 (CHEMBL1934526) Show SMILES C[C@@H]1CCCN1CCc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)C1CCOCC1 |r| Show InChI InChI=1S/C24H31NO3S/c1-19-3-2-15-25(19)16-12-20-4-6-21(7-5-20)22-8-10-23(11-9-22)29(26,27)24-13-17-28-18-14-24/h4-11,19,24H,2-3,12-18H2,1H3/t19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Arena Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of N-[3H]-methylhistamine from histamine H3 receptor in rat cortex membranes				Bioorg Med Chem Lett 22: 71-5 (2011) Article DOI: 10.1016/j.bmcl.2011.11.075 BindingDB Entry DOI: 10.7270/Q27M08C7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50324551 ((4-Bromo-1-methyl-1H-pyrazol-3-yl)-{4-[2-(2,4-difl...) Show SMILES Cn1cc(Br)c(n1)C(=O)N1CCN(CCc2ccc(F)cc2F)CC1 Show InChI InChI=1S/C17H19BrF2N4O/c1-22-11-14(18)16(21-22)17(25)24-8-6-23(7-9-24)5-4-12-2-3-13(19)10-15(12)20/h2-3,10-11H,4-9H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Arena Pharmaceuticals. Curated by ChEMBL					Assay Description Displacement of [125I]DOI from human recombinant 5HT2A receptor expressed in HEK293 cells after 1 hr by scintillation counting				J Med Chem 53: 5696-706 (2010) Article DOI: 10.1021/jm100479q BindingDB Entry DOI: 10.7270/Q2CV4HZX
					More data for this Ligand-Target Pair
Mu-type opioid receptor (MOUSE)	BDBM50558602 (CHEMBL4741368) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@H]2NC(=O)COCC(=O)NCCCCCCCCCNC(=O)COCC(=O)NC)ccc3O |r,THB:10:9:17:4.5.6| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]NLX from mouse MOR expressed in CHO cell membrane incubated for 90 mins by liquid scintillation spectrophotometry				Citation and Details Article DOI: 10.1016/j.bmc.2016.09.059 BindingDB Entry DOI: 10.7270/Q2HD80CC
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50361231 (CHEMBL1934521) Show SMILES C[C@@H]1CCCN1CCc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)CCO |r| Show InChI InChI=1S/C21H27NO3S/c1-17-3-2-13-22(17)14-12-18-4-6-19(7-5-18)20-8-10-21(11-9-20)26(24,25)16-15-23/h4-11,17,23H,2-3,12-16H2,1H3/t17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Arena Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of N-[3H]-methylhistamine from histamine H3 receptor in rat cortex membranes				Bioorg Med Chem Lett 22: 71-5 (2011) Article DOI: 10.1016/j.bmcl.2011.11.075 BindingDB Entry DOI: 10.7270/Q27M08C7
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50361224 (CHEMBL1934354) Show SMILES C[C@@H]1CCCN1CCc1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O |r| Show InChI InChI=1S/C20H25NO2S/c1-16-4-3-14-21(16)15-13-17-5-7-18(8-6-17)19-9-11-20(12-10-19)24(2,22)23/h5-12,16H,3-4,13-15H2,1-2H3/t16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Arena Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of N-[3H]-methylhistamine from histamine H3 receptor in rat cortex membranes				Bioorg Med Chem Lett 22: 71-5 (2011) Article DOI: 10.1016/j.bmcl.2011.11.075 BindingDB Entry DOI: 10.7270/Q27M08C7
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50361230 (CHEMBL1934520) Show SMILES COCCS(=O)(=O)c1ccc(cc1)-c1ccc(CCN2CCC[C@H]2C)cc1 |r| Show InChI InChI=1S/C22H29NO3S/c1-18-4-3-14-23(18)15-13-19-5-7-20(8-6-19)21-9-11-22(12-10-21)27(24,25)17-16-26-2/h5-12,18H,3-4,13-17H2,1-2H3/t18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt 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
Arena Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of N-[3H]-methylhistamine from histamine H3 receptor in rat cortex membranes				Bioorg Med Chem Lett 22: 71-5 (2011) Article DOI: 10.1016/j.bmcl.2011.11.075 BindingDB Entry DOI: 10.7270/Q27M08C7
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50414742 (CHEMBL560799) Show SMILES CCN(CC)S(=O)(=O)c1ccc(cc1)-c1ccc(CCN2CCCC2C)cc1 Show InChI InChI=1S/C23H32N2O2S/c1-4-25(5-2)28(26,27)23-14-12-22(13-15-23)21-10-8-20(9-11-21)16-18-24-17-6-7-19(24)3/h8-15,19H,4-7,16-18H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.41	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Arena Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of N-[3H]methylhistamine from histamine H3 receptor in rat cortex membrane				J Med Chem 52: 5603-11 (2009) Article DOI: 10.1021/jm900857n BindingDB Entry DOI: 10.7270/Q2KW5G2F
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50297368 (4-{4'-[2-((R)-2-Methyl-pyrrolidin-1-yl)-ethyl]-bip...) Show SMILES C[C@@H]1CCCN1CCc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N1CCOCC1 |r| Show InChI InChI=1S/C23H30N2O3S/c1-19-3-2-13-24(19)14-12-20-4-6-21(7-5-20)22-8-10-23(11-9-22)29(26,27)25-15-17-28-18-16-25/h4-11,19H,2-3,12-18H2,1H3/t19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.58	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Arena Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of N-[3H]methylhistamine from histamine H3 receptor in rat cortex membrane				J Med Chem 52: 5603-11 (2009) Article DOI: 10.1021/jm900857n BindingDB Entry DOI: 10.7270/Q2KW5G2F
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50352364 (CHEMBL562629) Show SMILES CC1CCCN1CCc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N1CCCCC1 Show InChI InChI=1S/C24H32N2O2S/c1-20-6-5-16-25(20)19-15-21-7-9-22(10-8-21)23-11-13-24(14-12-23)29(27,28)26-17-3-2-4-18-26/h7-14,20H,2-6,15-19H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.62	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Arena Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of N-[3H]methylhistamine from histamine H3 receptor in rat cortex membrane				J Med Chem 52: 5603-11 (2009) Article DOI: 10.1021/jm900857n BindingDB Entry DOI: 10.7270/Q2KW5G2F
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50297367 (4'-[2-((R)-2-Methyl-pyrrolidin-1-yl)-ethyl]-biphen...) Show SMILES C[C@@H]1CCCN1CCc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)NC1CCOCC1 |r| Show InChI InChI=1S/C24H32N2O3S/c1-19-3-2-15-26(19)16-12-20-4-6-21(7-5-20)22-8-10-24(11-9-22)30(27,28)25-23-13-17-29-18-14-23/h4-11,19,23,25H,2-3,12-18H2,1H3/t19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.78	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Arena Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of N-[3H]methylhistamine from histamine H3 receptor in rat cortex membrane				J Med Chem 52: 5603-11 (2009) Article DOI: 10.1021/jm900857n BindingDB Entry DOI: 10.7270/Q2KW5G2F
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50352359 (CHEMBL552279) Show SMILES CC1CCCN1CCc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)Nc1ccccc1 Show InChI InChI=1S/C25H28N2O2S/c1-20-6-5-18-27(20)19-17-21-9-11-22(12-10-21)23-13-15-25(16-14-23)30(28,29)26-24-7-3-2-4-8-24/h2-4,7-16,20,26H,5-6,17-19H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.86	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Arena Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of N-[3H]methylhistamine from histamine H3 receptor in rat cortex membrane				J Med Chem 52: 5603-11 (2009) Article DOI: 10.1021/jm900857n BindingDB Entry DOI: 10.7270/Q2KW5G2F
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50352360 (CHEMBL563118) Show SMILES CC1CCCN1CCc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)NC1CCC1 Show InChI InChI=1S/C23H30N2O2S/c1-18-4-3-16-25(18)17-15-19-7-9-20(10-8-19)21-11-13-23(14-12-21)28(26,27)24-22-5-2-6-22/h7-14,18,22,24H,2-6,15-17H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.29	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Arena Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of N-[3H]methylhistamine from histamine H3 receptor in rat cortex membrane				J Med Chem 52: 5603-11 (2009) Article DOI: 10.1021/jm900857n BindingDB Entry DOI: 10.7270/Q2KW5G2F
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Macaca fascicularis)	BDBM50583787 (CHEMBL5071060) Show SMILES [H][C@]12CC[C@]([H])(CC(C1)n1c(C)nnc1C(C)C)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccc(NC(=O)COCC(=O)NCCCCCCCNC(=O)COCC(=O)N[C@@H]2CC[C@@]3(O)[C@@]4([H])Cc5ccc(O)c6O[C@]2([H])[C@]3(CCN4CC2CC2)c56)cc1 |r,TLB:19:18:7.6.8:2.3,83:82:70.87.69:65| Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [125I]1-alpha from recombinant rhesus macaque CCR5 expressed in Chem-1 cells incubated for 90 mins by competitive radioligand binding...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00408 BindingDB Entry DOI: 10.7270/Q2R49VPJ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50324542 (2-[4-(4-Chloro-1-methyl-1H-pyrazole-3-carbonyl)pip...) Show SMILES Cn1cc(Cl)c(n1)C(=O)N1CCN(CC(=O)c2ccc(F)cc2)CC1 Show InChI InChI=1S/C17H18ClFN4O2/c1-21-10-14(18)16(20-21)17(25)23-8-6-22(7-9-23)11-15(24)12-2-4-13(19)5-3-12/h2-5,10H,6-9,11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Arena Pharmaceuticals. Curated by ChEMBL					Assay Description Binding affinity to rat 5HT2A receptor				J Med Chem 53: 5696-706 (2010) Article DOI: 10.1021/jm100479q BindingDB Entry DOI: 10.7270/Q2CV4HZX
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50361238 (CHEMBL1934528) Show SMILES COCS(=O)(=O)c1ccc(cc1)-c1ccc(CCN2CCC[C@H]2C)cc1 |r| Show InChI InChI=1S/C21H27NO3S/c1-17-4-3-14-22(17)15-13-18-5-7-19(8-6-18)20-9-11-21(12-10-20)26(23,24)16-25-2/h5-12,17H,3-4,13-16H2,1-2H3/t17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.44	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Arena Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of N-[3H]-methylhistamine from histamine H3 receptor in rat cortex membranes				Bioorg Med Chem Lett 22: 71-5 (2011) Article DOI: 10.1016/j.bmcl.2011.11.075 BindingDB Entry DOI: 10.7270/Q27M08C7
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50352353 (CHEMBL1823053) Show SMILES C[C@@H]1CCCN1CCc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N1CCC(O)C1 |r| Show InChI InChI=1S/C23H30N2O3S/c1-18-3-2-14-24(18)15-12-19-4-6-20(7-5-19)21-8-10-23(11-9-21)29(27,28)25-16-13-22(26)17-25/h4-11,18,22,26H,2-3,12-17H2,1H3/t18-,22?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.45	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Arena Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of N-[3H]methylhistamine from histamine H3 receptor in rat cortex membrane				J Med Chem 52: 5603-11 (2009) Article DOI: 10.1021/jm900857n BindingDB Entry DOI: 10.7270/Q2KW5G2F
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50352361 (CHEMBL558260) Show SMILES CC1CCCN1CCc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)NCC1CC1 Show InChI InChI=1S/C23H30N2O2S/c1-18-3-2-15-25(18)16-14-19-6-8-21(9-7-19)22-10-12-23(13-11-22)28(26,27)24-17-20-4-5-20/h6-13,18,20,24H,2-5,14-17H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.51	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Arena Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of N-[3H]methylhistamine from histamine H3 receptor in rat cortex membrane				J Med Chem 52: 5603-11 (2009) Article DOI: 10.1021/jm900857n BindingDB Entry DOI: 10.7270/Q2KW5G2F
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50324567 (2-[4-(4-Chloro-1-ethyl-1H-pyrazole-3-carbonyl)pipe...) Show SMILES CCn1cc(Cl)c(n1)C(=O)N1CCN(CC(=O)c2ccc(F)cc2)CC1 Show InChI InChI=1S/C18H20ClFN4O2/c1-2-24-11-15(19)17(21-24)18(26)23-9-7-22(8-10-23)12-16(25)13-3-5-14(20)6-4-13/h3-6,11H,2,7-10,12H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Arena Pharmaceuticals. Curated by ChEMBL					Assay Description Displacement of [125I]DOI from human recombinant 5HT2A receptor expressed in HEK293 cells after 1 hr by scintillation counting				J Med Chem 53: 5696-706 (2010) Article DOI: 10.1021/jm100479q BindingDB Entry DOI: 10.7270/Q2CV4HZX
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50361227 (CHEMBL1934357) Show SMILES CC(C)S(=O)(=O)c1ccc(cc1)-c1ccc(CCN2CCC[C@H]2C)cc1 |r| Show InChI InChI=1S/C22H29NO2S/c1-17(2)26(24,25)22-12-10-21(11-13-22)20-8-6-19(7-9-20)14-16-23-15-4-5-18(23)3/h6-13,17-18H,4-5,14-16H2,1-3H3/t18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.65	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Arena Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of N-[3H]-methylhistamine from histamine H3 receptor in rat cortex membranes				Bioorg Med Chem Lett 22: 71-5 (2011) Article DOI: 10.1016/j.bmcl.2011.11.075 BindingDB Entry DOI: 10.7270/Q27M08C7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Canis familiaris)	BDBM50324542 (2-[4-(4-Chloro-1-methyl-1H-pyrazole-3-carbonyl)pip...) Show SMILES Cn1cc(Cl)c(n1)C(=O)N1CCN(CC(=O)c2ccc(F)cc2)CC1 Show InChI InChI=1S/C17H18ClFN4O2/c1-21-10-14(18)16(20-21)17(25)23-8-6-22(7-9-23)11-15(24)12-2-4-13(19)5-3-12/h2-5,10H,6-9,11H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Arena Pharmaceuticals. Curated by ChEMBL					Assay Description Binding affinity to dog 5HT2A receptor				J Med Chem 53: 5696-706 (2010) Article DOI: 10.1021/jm100479q BindingDB Entry DOI: 10.7270/Q2CV4HZX
					More data for this Ligand-Target Pair
Mu-type opioid receptor (MOUSE)	BDBM50561916 (CHEMBL4779258) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@H]2NC(=O)COCC(=O)NCCCCCCCCNC(=O)COCC(=O)NC[C@H]1CC[C@@H](CC1)\N=C(\NC1CCCCC1)SCC1=CSC2=NC(C)(C)CN12)ccc3O |r,wU:21.26,1.0,17.21,16.16,52.60,wD:7.7,49.53,t:73,76,THB:10:9:17:6.5.4,(26.89,-21.3,;25.18,-21.34,;26.14,-22.89,;25.26,-24.34,;23.95,-23.64,;22.65,-24.41,;21.32,-23.71,;21.28,-22.24,;20.48,-20.93,;19.75,-22.23,;18.38,-21.51,;18.32,-19.98,;19.03,-18.63,;17.5,-18.69,;20.74,-22.99,;22.61,-22.94,;23.91,-22.12,;22.57,-21.39,;21.21,-20.67,;22.53,-19.87,;23.83,-19.07,;25.16,-19.82,;26.48,-19.02,;27.83,-19.76,;27.86,-21.3,;29.15,-18.97,;30.5,-19.71,;31.82,-18.91,;33.17,-19.65,;33.2,-21.19,;34.49,-18.86,;35.83,-19.6,;37.15,-18.8,;38.5,-19.55,;39.82,-18.75,;41.17,-19.49,;42.49,-18.69,;43.84,-19.44,;45.15,-18.64,;46.5,-19.38,;47.82,-18.58,;47.79,-17.04,;49.17,-19.33,;50.49,-18.53,;51.84,-19.27,;53.15,-18.48,;53.12,-16.94,;54.5,-19.22,;55.82,-18.42,;57.17,-19.16,;57.19,-20.7,;58.53,-21.44,;59.86,-20.65,;59.83,-19.11,;58.48,-18.36,;61.2,-21.4,;62.52,-20.61,;63.87,-21.36,;63.9,-22.9,;62.57,-23.68,;62.6,-25.22,;63.94,-25.97,;65.26,-25.18,;65.24,-23.64,;62.5,-19.07,;63.82,-18.28,;63.79,-16.74,;65.02,-15.81,;64.52,-14.35,;62.98,-14.38,;61.72,-13.5,;60.5,-14.42,;59,-14.82,;59.4,-13.33,;61,-15.88,;62.53,-15.85,;22.7,-25.94,;24.03,-26.67,;25.31,-25.87,;26.68,-26.61,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-NLX from mouse mu opioid receptor expressed in CHO cells measured after 1.5 hrs by competitive-binding assay				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00444 BindingDB Entry DOI: 10.7270/Q2M04947
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50297369 (4'-[2-((R)-2-Methyl-pyrrolidin-1-yl)-ethyl]-biphen...) Show SMILES COCCNS(=O)(=O)c1ccc(cc1)-c1ccc(CCN2CCC[C@H]2C)cc1 |r| Show InChI InChI=1S/C22H30N2O3S/c1-18-4-3-15-24(18)16-13-19-5-7-20(8-6-19)21-9-11-22(12-10-21)28(25,26)23-14-17-27-2/h5-12,18,23H,3-4,13-17H2,1-2H3/t18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Arena Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of N-[3H]methylhistamine from histamine H3 receptor in rat cortex membrane				J Med Chem 52: 5603-11 (2009) Article DOI: 10.1021/jm900857n BindingDB Entry DOI: 10.7270/Q2KW5G2F
					More data for this Ligand-Target Pair

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