Compile Data Set for Download or QSAR

Found 25 hits Enz. Inhib. hit(s) with all data for entry = 50002538   

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 (Homo sapiens (Human))	BDBM50247053 (1-(3-(3-(4-chlorophenyl)propoxy)propyl)piperidine ...) Show SMILES Clc1ccc(CCCOCCCN2CCCCC2)cc1 Show InChI InChI=1S/C17H26ClNO/c18-17-9-7-16(8-10-17)6-4-14-20-15-5-13-19-11-2-1-3-12-19/h7-10H,1-6,11-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE 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
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Binding affinity to human histamine H3 receptor				Bioorg Med Chem 25: 2701-2712 (2017) Article DOI: 10.1016/j.bmc.2017.03.031 BindingDB Entry DOI: 10.7270/Q2833VPK
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50459836 (CHEMBL4227989) Show SMILES OC(=O)C(O)=O.CCC(C)(C)c1ccc(OCCCCCN2CCCCC2)cc1 Show InChI InChI=1S/C21H35NO/c1-4-21(2,3)19-11-13-20(14-12-19)23-18-10-6-9-17-22-15-7-5-8-16-22/h11-14H,4-10,15-18H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [125I]Iodoproxyfan from recombinant human histamine H3 receptor expressed in CHOK1 cell membranes after 90 mins				Bioorg Med Chem 25: 2701-2712 (2017) Article DOI: 10.1016/j.bmc.2017.03.031 BindingDB Entry DOI: 10.7270/Q2833VPK
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50459827 (CHEMBL4225644) Show SMILES OC(=O)C(O)=O.CCC(C)(C)c1ccc(OCCCCCN2CCCC(C)C2)cc1 Show InChI InChI=1S/C22H37NO.C2H2O4/c1-5-22(3,4)20-11-13-21(14-12-20)24-17-8-6-7-15-23-16-9-10-19(2)18-23;3-1(4)2(5)6/h11-14,19H,5-10,15-18H2,1-4H3;(H,3,4)(H,5,6)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [125I]Iodoproxyfan from recombinant human histamine H3 receptor expressed in CHOK1 cell membranes after 90 mins				Bioorg Med Chem 25: 2701-2712 (2017) Article DOI: 10.1016/j.bmc.2017.03.031 BindingDB Entry DOI: 10.7270/Q2833VPK
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50247053 (1-(3-(3-(4-chlorophenyl)propoxy)propyl)piperidine ...) Show SMILES Clc1ccc(CCCOCCCN2CCCCC2)cc1 Show InChI InChI=1S/C17H26ClNO/c18-17-9-7-16(8-10-17)6-4-14-20-15-5-13-19-11-2-1-3-12-19/h7-10H,1-6,11-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Binding affinity to rat histamine H3 receptor				Bioorg Med Chem 25: 2701-2712 (2017) Article DOI: 10.1016/j.bmc.2017.03.031 BindingDB Entry DOI: 10.7270/Q2833VPK
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50459832 (CHEMBL4226427) Show SMILES OC(=O)C(O)=O.CCC(C)(C)c1ccc(OCCCCCN2CCCCCC2)cc1 Show InChI InChI=1S/C22H37NO/c1-4-22(2,3)20-12-14-21(15-13-20)24-19-11-7-10-18-23-16-8-5-6-9-17-23/h12-15H,4-11,16-19H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [125I]Iodoproxyfan from recombinant human histamine H3 receptor expressed in CHOK1 cell membranes after 90 mins				Bioorg Med Chem 25: 2701-2712 (2017) Article DOI: 10.1016/j.bmc.2017.03.031 BindingDB Entry DOI: 10.7270/Q2833VPK
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50459831 (CHEMBL4227269) Show SMILES OC(=O)C(O)=O.CCC(C)(C)c1ccc(OCCCCCN2CCC(C)CC2)cc1 Show InChI InChI=1S/C22H37NO/c1-5-22(3,4)20-9-11-21(12-10-20)24-18-8-6-7-15-23-16-13-19(2)14-17-23/h9-12,19H,5-8,13-18H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [125I]Iodoproxyfan from recombinant human histamine H3 receptor expressed in CHOK1 cell membranes after 90 mins				Bioorg Med Chem 25: 2701-2712 (2017) Article DOI: 10.1016/j.bmc.2017.03.031 BindingDB Entry DOI: 10.7270/Q2833VPK
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50459833 (CHEMBL4226168) Show SMILES OC(=O)C(O)=O.CCC(C)(C)c1ccc(OCCCCCCN2CCCC(C)C2)cc1 Show InChI InChI=1S/C23H39NO.C2H2O4/c1-5-23(3,4)21-12-14-22(15-13-21)25-18-9-7-6-8-16-24-17-10-11-20(2)19-24;3-1(4)2(5)6/h12-15,20H,5-11,16-19H2,1-4H3;(H,3,4)(H,5,6)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	34	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [125I]Iodoproxyfan from recombinant human histamine H3 receptor expressed in CHOK1 cell membranes after 90 mins				Bioorg Med Chem 25: 2701-2712 (2017) Article DOI: 10.1016/j.bmc.2017.03.031 BindingDB Entry DOI: 10.7270/Q2833VPK
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50459826 (CHEMBL4226155) Show SMILES OC(=O)C(O)=O.CCC(C)(C)c1ccc(OCCCCCCCN2CCCC(C)C2)cc1 Show InChI InChI=1S/C24H41NO.C2H2O4/c1-5-24(3,4)22-13-15-23(16-14-22)26-19-10-8-6-7-9-17-25-18-11-12-21(2)20-25;3-1(4)2(5)6/h13-16,21H,5-12,17-20H2,1-4H3;(H,3,4)(H,5,6)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [125I]Iodoproxyfan from recombinant human histamine H3 receptor expressed in CHOK1 cell membranes after 90 mins				Bioorg Med Chem 25: 2701-2712 (2017) Article DOI: 10.1016/j.bmc.2017.03.031 BindingDB Entry DOI: 10.7270/Q2833VPK
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50459838 (CHEMBL4226957) Show SMILES OC(=O)C(O)=O.CCC(C)(C)c1ccc(OCCCCCCN2CCCCCC2)cc1 Show InChI InChI=1S/C23H39NO/c1-4-23(2,3)21-13-15-22(16-14-21)25-20-12-8-7-11-19-24-17-9-5-6-10-18-24/h13-16H,4-12,17-20H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	41	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [125I]Iodoproxyfan from recombinant human histamine H3 receptor expressed in CHOK1 cell membranes after 90 mins				Bioorg Med Chem 25: 2701-2712 (2017) Article DOI: 10.1016/j.bmc.2017.03.031 BindingDB Entry DOI: 10.7270/Q2833VPK
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50459825 (CHEMBL4228780) Show SMILES OC(=O)C(O)=O.CCC(C)(C)c1ccc(OCCCCN2CCCC(C)C2)cc1 Show InChI InChI=1S/C21H35NO.C2H2O4/c1-5-21(3,4)19-10-12-20(13-11-19)23-16-7-6-14-22-15-8-9-18(2)17-22;3-1(4)2(5)6/h10-13,18H,5-9,14-17H2,1-4H3;(H,3,4)(H,5,6)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	46	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]Nalpha-Methylhistamine from recombinant human histamine H3 receptor expressed in HEK293 cell membranes after 90 mins by liquid sc...				Bioorg Med Chem 25: 2701-2712 (2017) Article DOI: 10.1016/j.bmc.2017.03.031 BindingDB Entry DOI: 10.7270/Q2833VPK
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50459821 (CHEMBL4227016) Show SMILES OC(=O)C(O)=O.CCC(C)(C)c1ccc(OCCCCCCN2CCCCC2)cc1 Show InChI InChI=1S/C22H37NO/c1-4-22(2,3)20-12-14-21(15-13-20)24-19-11-6-5-8-16-23-17-9-7-10-18-23/h12-15H,4-11,16-19H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	47	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [125I]Iodoproxyfan from recombinant human histamine H3 receptor expressed in CHOK1 cell membranes after 90 mins				Bioorg Med Chem 25: 2701-2712 (2017) Article DOI: 10.1016/j.bmc.2017.03.031 BindingDB Entry DOI: 10.7270/Q2833VPK
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50459834 (CHEMBL4227944) Show SMILES OC(=O)C(O)=O.CCC(C)(C)c1ccc(OCCCCCCCN2CCCCC2)cc1 Show InChI InChI=1S/C23H39NO/c1-4-23(2,3)21-13-15-22(16-14-21)25-20-12-7-5-6-9-17-24-18-10-8-11-19-24/h13-16H,4-12,17-20H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	55	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [125I]Iodoproxyfan from recombinant human histamine H3 receptor expressed in CHOK1 cell membranes after 90 mins				Bioorg Med Chem 25: 2701-2712 (2017) Article DOI: 10.1016/j.bmc.2017.03.031 BindingDB Entry DOI: 10.7270/Q2833VPK
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50459837 (CHEMBL4227803) Show SMILES OC(=O)C(O)=O.CCC(C)(C)c1ccc(OCCCCCCN2CCC(C)CC2)cc1 Show InChI InChI=1S/C23H39NO/c1-5-23(3,4)21-10-12-22(13-11-21)25-19-9-7-6-8-16-24-17-14-20(2)15-18-24/h10-13,20H,5-9,14-19H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	61	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [125I]Iodoproxyfan from recombinant human histamine H3 receptor expressed in CHOK1 cell membranes after 90 mins				Bioorg Med Chem 25: 2701-2712 (2017) Article DOI: 10.1016/j.bmc.2017.03.031 BindingDB Entry DOI: 10.7270/Q2833VPK
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50459839 (CHEMBL4228195) Show SMILES OC(=O)C(O)=O.CCC(C)(C)c1ccc(OCCCCCCCN2CCC(C)CC2)cc1 Show InChI InChI=1S/C24H41NO/c1-5-24(3,4)22-11-13-23(14-12-22)26-20-10-8-6-7-9-17-25-18-15-21(2)16-19-25/h11-14,21H,5-10,15-20H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	64	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [125I]Iodoproxyfan from recombinant human histamine H3 receptor expressed in CHOK1 cell membranes after 90 mins				Bioorg Med Chem 25: 2701-2712 (2017) Article DOI: 10.1016/j.bmc.2017.03.031 BindingDB Entry DOI: 10.7270/Q2833VPK
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50459823 (CHEMBL4225907) Show SMILES OC(=O)C(O)=O.CCC(C)(C)c1ccc(OCCCCN2CCCCCC2)cc1 Show InChI InChI=1S/C21H35NO/c1-4-21(2,3)19-11-13-20(14-12-19)23-18-10-9-17-22-15-7-5-6-8-16-22/h11-14H,4-10,15-18H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	68	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]Nalpha-Methylhistamine from recombinant human histamine H3 receptor expressed in HEK293 cell membranes after 90 mins by liquid sc...				Bioorg Med Chem 25: 2701-2712 (2017) Article DOI: 10.1016/j.bmc.2017.03.031 BindingDB Entry DOI: 10.7270/Q2833VPK
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50459830 (CHEMBL4228257) Show SMILES OC(=O)C(O)=O.CCC(C)(C)c1ccc(OCCCCCCCCN2CCCC(C)C2)cc1 Show InChI InChI=1S/C25H43NO.C2H2O4/c1-5-25(3,4)23-14-16-24(17-15-23)27-20-11-9-7-6-8-10-18-26-19-12-13-22(2)21-26;3-1(4)2(5)6/h14-17,22H,5-13,18-21H2,1-4H3;(H,3,4)(H,5,6)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	121	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [125I]Iodoproxyfan from recombinant human histamine H3 receptor expressed in CHOK1 cell membranes after 90 mins				Bioorg Med Chem 25: 2701-2712 (2017) Article DOI: 10.1016/j.bmc.2017.03.031 BindingDB Entry DOI: 10.7270/Q2833VPK
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50459828 (CHEMBL4227734) Show SMILES OC(=O)C(O)=O.CCC(C)(C)c1ccc(OCCCCCCCN2CCCCCC2)cc1 Show InChI InChI=1S/C24H41NO/c1-4-24(2,3)22-14-16-23(17-15-22)26-21-13-9-5-6-10-18-25-19-11-7-8-12-20-25/h14-17H,4-13,18-21H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	128	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [125I]Iodoproxyfan from recombinant human histamine H3 receptor expressed in CHOK1 cell membranes after 90 mins				Bioorg Med Chem 25: 2701-2712 (2017) Article DOI: 10.1016/j.bmc.2017.03.031 BindingDB Entry DOI: 10.7270/Q2833VPK
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50459822 (CHEMBL4226963) Show SMILES OC(=O)C(O)=O.CCC(C)(C)c1ccc(OCCCCN2CCCCC2)cc1 Show InChI InChI=1S/C20H33NO/c1-4-20(2,3)18-10-12-19(13-11-18)22-17-9-8-16-21-14-6-5-7-15-21/h10-13H,4-9,14-17H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]Nalpha-Methylhistamine from recombinant human histamine H3 receptor expressed in HEK293 cell membranes after 90 mins by liquid sc...				Bioorg Med Chem 25: 2701-2712 (2017) Article DOI: 10.1016/j.bmc.2017.03.031 BindingDB Entry DOI: 10.7270/Q2833VPK
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50459835 (CHEMBL4228514) Show SMILES OC(=O)C(O)=O.CCC(C)(C)c1ccc(OCCCCCCCCN2CCCCCC2)cc1 Show InChI InChI=1S/C25H43NO/c1-4-25(2,3)23-15-17-24(18-16-23)27-22-14-10-6-5-7-11-19-26-20-12-8-9-13-21-26/h15-18H,4-14,19-22H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	183	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [125I]Iodoproxyfan from recombinant human histamine H3 receptor expressed in CHOK1 cell membranes after 90 mins				Bioorg Med Chem 25: 2701-2712 (2017) Article DOI: 10.1016/j.bmc.2017.03.031 BindingDB Entry DOI: 10.7270/Q2833VPK
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50459824 (CHEMBL4226749) Show SMILES OC(=O)C(O)=O.CCC(C)(C)c1ccc(OCCCCN2CCC(C)CC2)cc1 Show InChI InChI=1S/C21H35NO/c1-5-21(3,4)19-8-10-20(11-9-19)23-17-7-6-14-22-15-12-18(2)13-16-22/h8-11,18H,5-7,12-17H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	238	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]Nalpha-Methylhistamine from recombinant human histamine H3 receptor expressed in HEK293 cell membranes after 90 mins by liquid sc...				Bioorg Med Chem 25: 2701-2712 (2017) Article DOI: 10.1016/j.bmc.2017.03.031 BindingDB Entry DOI: 10.7270/Q2833VPK
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50459840 (CHEMBL4227677) Show SMILES OC(=O)C(O)=O.CCC(C)(C)c1ccc(OCCCCCCCCN2CCC(C)CC2)cc1 Show InChI InChI=1S/C25H43NO/c1-5-25(3,4)23-12-14-24(15-13-23)27-21-11-9-7-6-8-10-18-26-19-16-22(2)17-20-26/h12-15,22H,5-11,16-21H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	308	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [125I]Iodoproxyfan from recombinant human histamine H3 receptor expressed in CHOK1 cell membranes after 90 mins				Bioorg Med Chem 25: 2701-2712 (2017) Article DOI: 10.1016/j.bmc.2017.03.031 BindingDB Entry DOI: 10.7270/Q2833VPK
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50459829 (CHEMBL4227408) Show SMILES OC(=O)C(O)=O.CCC(C)(C)c1ccc(OCCCCCCCCN2CCCCC2)cc1 Show InChI InChI=1S/C24H41NO/c1-4-24(2,3)22-14-16-23(17-15-22)26-21-13-8-6-5-7-10-18-25-19-11-9-12-20-25/h14-17H,4-13,18-21H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	326	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [125I]Iodoproxyfan from recombinant human histamine H3 receptor expressed in CHOK1 cell membranes after 90 mins				Bioorg Med Chem 25: 2701-2712 (2017) Article DOI: 10.1016/j.bmc.2017.03.031 BindingDB Entry DOI: 10.7270/Q2833VPK
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM8610 (1-[4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imi...) Show SMILES [H][C@]1(COc2ccc(cc2)N2CCN(CC2)C(C)=O)CO[C@@](Cn2ccnc2)(O1)c1ccc(Cl)cc1Cl |r| Show InChI InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Inhibition of recombinant human CYP3A4 using Luciferin-BE as substrate in presence of NADPH by P450-Glo luminescence assay				Bioorg Med Chem 25: 2701-2712 (2017) Article DOI: 10.1016/j.bmc.2017.03.031 BindingDB Entry DOI: 10.7270/Q2833VPK
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50459836 (CHEMBL4227989) Show SMILES OC(=O)C(O)=O.CCC(C)(C)c1ccc(OCCCCCN2CCCCC2)cc1 Show InChI InChI=1S/C21H35NO/c1-4-21(2,3)19-11-13-20(14-12-19)23-18-10-6-9-17-22-15-7-5-8-16-22/h11-14H,4-10,15-18H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	157	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Antagonist activity at recombinant human histamine H3 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated intracellular...				Bioorg Med Chem 25: 2701-2712 (2017) Article DOI: 10.1016/j.bmc.2017.03.031 BindingDB Entry DOI: 10.7270/Q2833VPK
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50459827 (CHEMBL4225644) Show SMILES OC(=O)C(O)=O.CCC(C)(C)c1ccc(OCCCCCN2CCCC(C)C2)cc1 Show InChI InChI=1S/C22H37NO.C2H2O4/c1-5-22(3,4)20-11-13-21(14-12-20)24-17-8-6-7-15-23-16-9-10-19(2)18-23;3-1(4)2(5)6/h11-14,19H,5-10,15-18H2,1-4H3;(H,3,4)(H,5,6)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	164	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Antagonist activity at recombinant human histamine H3 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated intracellular...				Bioorg Med Chem 25: 2701-2712 (2017) Article DOI: 10.1016/j.bmc.2017.03.031 BindingDB Entry DOI: 10.7270/Q2833VPK
					More data for this Ligand-Target Pair