Compile Data Set for Download or QSAR

Found 1184 hits with Last Name = 'gobbi' and Initial = 's'   

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
Acetylcholinesterase (Homo sapiens (Human))	BDBM50351015 (CHEMBL1819176) Show SMILES Clc1ccc2c(NCCCCCCCNc3c4Cc5ccccc5-c4nc4ccccc34)c3CCCCc3nc2c1 Show InChI InChI=1S/C36H37ClN4/c37-25-18-19-29-33(23-25)40-31-16-8-6-14-27(31)34(29)38-20-10-2-1-3-11-21-39-35-28-15-7-9-17-32(28)41-36-26-13-5-4-12-24(26)22-30(35)36/h4-5,7,9,12-13,15,17-19,23H,1-3,6,8,10-11,14,16,20-22H2,(H,38,40)(H,39,41)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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
Institut f£r Molekulare Physiologie Curated by ChEMBL					Assay Description Mixed-type inhibition of human AChE assessed as hydrolysis of acetylthiocholine by Lineweaver-Burk plot analysis				Eur J Med Chem 46: 4336-43 (2011) Article DOI: 10.1016/j.ejmech.2011.07.004 BindingDB Entry DOI: 10.7270/Q2NP24TK
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM22911 (2-(3H-imidazol-4-yl)ethylsulfanylmethanimidamide |...) Show SMILES NC(=N)SCCc1cnc[nH]1 Show InChI InChI=1S/C6H10N4S/c7-6(8)11-2-1-5-3-9-4-10-5/h3-4H,1-2H2,(H3,7,8)(H,9,10)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.58	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VU University Amsterdam Curated by ChEMBL					Assay Description Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in human SK-N-MC cells by liquid scintillation counting				Bioorg Med Chem 17: 3987-94 (2009) Article DOI: 10.1016/j.bmc.2009.04.007 BindingDB Entry DOI: 10.7270/Q2SQ91MW
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM50414391 (CHEMBL1202332 | CHEMBL553423) Show SMILES NC(SCCCc1cnc[nH]1)=NCc1ccc(Cl)c(Cl)c1 |w:11.12| Show InChI InChI=1S/C14H16Cl2N4S/c15-12-4-3-10(6-13(12)16)7-19-14(17)21-5-1-2-11-8-18-9-20-11/h3-4,6,8-9H,1-2,5,7H2,(H2,17,19)(H,18,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia 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
VU University Amsterdam Curated by ChEMBL					Assay Description Displacement of [3H]histamine from human histamine H4 receptor expressed in human SK-N-MC cells by liquid scintillation counting				Bioorg Med Chem 17: 3987-94 (2009) Article DOI: 10.1016/j.bmc.2009.04.007 BindingDB Entry DOI: 10.7270/Q2SQ91MW
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50414387 (CHEMBL1743881) Show SMILES NC(SCCCc1cnc[nH]1)=NCc1ccc(Br)cc1 |w:11.12| Show InChI InChI=1S/C14H17BrN4S/c15-12-5-3-11(4-6-12)8-18-14(16)20-7-1-2-13-9-17-10-19-13/h3-6,9-10H,1-2,7-8H2,(H2,16,18)(H,17,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia 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
VU University Amsterdam Curated by ChEMBL					Assay Description Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in human SK-N-MC cells by liquid scintillation counting				Bioorg Med Chem 17: 3987-94 (2009) Article DOI: 10.1016/j.bmc.2009.04.007 BindingDB Entry DOI: 10.7270/Q2SQ91MW
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM22912 (VUF 8328 | VUF8328 | {[3-(1H-imidazol-4-yl)propyl]...) Show SMILES NC(=N)SCCCc1cnc[nH]1 Show InChI InChI=1S/C7H12N4S/c8-7(9)12-3-1-2-6-4-10-5-11-6/h4-5H,1-3H2,(H3,8,9)(H,10,11)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.51	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VU University Amsterdam Curated by ChEMBL					Assay Description Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in human SK-N-MC cells by liquid scintillation counting				Bioorg Med Chem 17: 3987-94 (2009) Article DOI: 10.1016/j.bmc.2009.04.007 BindingDB Entry DOI: 10.7270/Q2SQ91MW
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50516288 (CHEMBL4530405) Show SMILES COc1ccc(cc1)-c1oc2ccccc2c1C(=O)c1ccc(cc1)N(C)Cc1ccc(F)cc1 Show InChI InChI=1S/C30H24FNO3/c1-32(19-20-7-13-23(31)14-8-20)24-15-9-21(10-16-24)29(33)28-26-5-3-4-6-27(26)35-30(28)22-11-17-25(34-2)18-12-22/h3-18H,19H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Alma Mater Studiorum-University of Bologna Curated by ChEMBL					Assay Description Displacement of 3[H]-CP55940 from human recombinant CB2 receptor expressed in HEK293 cell membranes measured after 90 mins by Cheng-Prusoff equation ...				Eur J Med Chem 178: 243-258 (2019) Article DOI: 10.1016/j.ejmech.2019.05.080 BindingDB Entry DOI: 10.7270/Q2VX0KVX
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM22541 (Clobenpropit | N''-[(4-chlorophenyl)methyl]{[3-(1H...) Show SMILES NC(SCCCc1cnc[nH]1)=NCc1ccc(Cl)cc1 |w:11.12| Show InChI InChI=1S/C14H17ClN4S/c15-12-5-3-11(4-6-12)8-18-14(16)20-7-1-2-13-9-17-10-19-13/h3-6,9-10H,1-2,7-8H2,(H2,16,18)(H,17,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	3.16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VU University Amsterdam Curated by ChEMBL					Assay Description Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in human SK-N-MC cells by liquid scintillation counting				Bioorg Med Chem 17: 3987-94 (2009) Article DOI: 10.1016/j.bmc.2009.04.007 BindingDB Entry DOI: 10.7270/Q2SQ91MW
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50414388 (CHEMBL1202321) Show SMILES NC(SCCCc1cnc[nH]1)=NCc1ccc(I)cc1 |w:11.12| Show InChI InChI=1S/C14H17IN4S/c15-12-5-3-11(4-6-12)8-18-14(16)20-7-1-2-13-9-17-10-19-13/h3-6,9-10H,1-2,7-8H2,(H2,16,18)(H,17,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VU University Amsterdam Curated by ChEMBL					Assay Description Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in human SK-N-MC cells by liquid scintillation counting				Bioorg Med Chem 17: 3987-94 (2009) Article DOI: 10.1016/j.bmc.2009.04.007 BindingDB Entry DOI: 10.7270/Q2SQ91MW
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50414390 (CHEMBL1202328) Show SMILES NC(SCCCc1cnc[nH]1)=NCc1ccc(F)cc1 |w:11.12| Show InChI InChI=1S/C14H17FN4S/c15-12-5-3-11(4-6-12)8-18-14(16)20-7-1-2-13-9-17-10-19-13/h3-6,9-10H,1-2,7-8H2,(H2,16,18)(H,17,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.01	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VU University Amsterdam Curated by ChEMBL					Assay Description Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in human SK-N-MC cells by liquid scintillation counting				Bioorg Med Chem 17: 3987-94 (2009) Article DOI: 10.1016/j.bmc.2009.04.007 BindingDB Entry DOI: 10.7270/Q2SQ91MW
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM22911 (2-(3H-imidazol-4-yl)ethylsulfanylmethanimidamide |...) Show SMILES NC(=N)SCCc1cnc[nH]1 Show InChI InChI=1S/C6H10N4S/c7-6(8)11-2-1-5-3-9-4-10-5/h3-4H,1-2H2,(H3,7,8)(H,9,10)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	6.31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VU University Amsterdam Curated by ChEMBL					Assay Description Displacement of [3H]histamine from human histamine H4 receptor expressed in human SK-N-MC cells by liquid scintillation counting				Bioorg Med Chem 17: 3987-94 (2009) Article DOI: 10.1016/j.bmc.2009.04.007 BindingDB Entry DOI: 10.7270/Q2SQ91MW
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histamine H3 receptor (Homo sapiens (Human))	BDBM50414392 (CHEMBL1202329) Show SMILES Cc1ccc(CN=C(N)SCCCc2cnc[nH]2)cc1 |w:6.5| Show InChI InChI=1S/C15H20N4S/c1-12-4-6-13(7-5-12)9-18-15(16)20-8-2-3-14-10-17-11-19-14/h4-7,10-11H,2-3,8-9H2,1H3,(H2,16,18)(H,17,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VU University Amsterdam Curated by ChEMBL					Assay Description Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in human SK-N-MC cells by liquid scintillation counting				Bioorg Med Chem 17: 3987-94 (2009) Article DOI: 10.1016/j.bmc.2009.04.007 BindingDB Entry DOI: 10.7270/Q2SQ91MW
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50414391 (CHEMBL1202332 | CHEMBL553423) Show SMILES NC(SCCCc1cnc[nH]1)=NCc1ccc(Cl)c(Cl)c1 |w:11.12| Show InChI InChI=1S/C14H16Cl2N4S/c15-12-4-3-10(6-13(12)16)7-19-14(17)21-5-1-2-11-8-18-9-20-11/h3-4,6,8-9H,1-2,5,7H2,(H2,17,19)(H,18,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VU University Amsterdam Curated by ChEMBL					Assay Description Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in human SK-N-MC cells by liquid scintillation counting				Bioorg Med Chem 17: 3987-94 (2009) Article DOI: 10.1016/j.bmc.2009.04.007 BindingDB Entry DOI: 10.7270/Q2SQ91MW
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50414389 (CHEMBL1202324) Show SMILES N=C(NCc1ccccc1)SCCCc1cnc[nH]1 Show InChI InChI=1S/C14H18N4S/c15-14(17-9-12-5-2-1-3-6-12)19-8-4-7-13-10-16-11-18-13/h1-3,5-6,10-11H,4,7-9H2,(H2,15,17)(H,16,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.94	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VU University Amsterdam Curated by ChEMBL					Assay Description Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in human SK-N-MC cells by liquid scintillation counting				Bioorg Med Chem 17: 3987-94 (2009) Article DOI: 10.1016/j.bmc.2009.04.007 BindingDB Entry DOI: 10.7270/Q2SQ91MW
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50414385 (CHEMBL1202326) Show SMILES NC(SCCCc1cnc[nH]1)=NCc1cccc(Cl)c1 |w:11.12| Show InChI InChI=1S/C14H17ClN4S/c15-12-4-1-3-11(7-12)8-18-14(16)20-6-2-5-13-9-17-10-19-13/h1,3-4,7,9-10H,2,5-6,8H2,(H2,16,18)(H,17,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.94	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VU University Amsterdam Curated by ChEMBL					Assay Description Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in human SK-N-MC cells by liquid scintillation counting				Bioorg Med Chem 17: 3987-94 (2009) Article DOI: 10.1016/j.bmc.2009.04.007 BindingDB Entry DOI: 10.7270/Q2SQ91MW
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50414386 (CHEMBL1202318) Show SMILES NC(SCCCc1cnc[nH]1)=NCc1ccccc1Cl |w:11.12| Show InChI InChI=1S/C14H17ClN4S/c15-13-6-2-1-4-11(13)8-18-14(16)20-7-3-5-12-9-17-10-19-12/h1-2,4,6,9-10H,3,5,7-8H2,(H2,16,18)(H,17,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.94	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VU University Amsterdam Curated by ChEMBL					Assay Description Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in human SK-N-MC cells by liquid scintillation counting				Bioorg Med Chem 17: 3987-94 (2009) Article DOI: 10.1016/j.bmc.2009.04.007 BindingDB Entry DOI: 10.7270/Q2SQ91MW
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM22913 (CHEMBL1237146 | CHEMBL498770 | Iodophenpropit | {[...) Show SMILES NC(SCCCc1cnc[nH]1)=NCCc1ccc(I)cc1 |w:11.12| Show InChI InChI=1S/C15H19IN4S/c16-13-5-3-12(4-6-13)7-8-19-15(17)21-9-1-2-14-10-18-11-20-14/h3-6,10-11H,1-2,7-9H2,(H2,17,19)(H,18,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	7.94	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VU University Amsterdam Curated by ChEMBL					Assay Description Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in human SK-N-MC cells by liquid scintillation counting				Bioorg Med Chem 17: 3987-94 (2009) Article DOI: 10.1016/j.bmc.2009.04.007 BindingDB Entry DOI: 10.7270/Q2SQ91MW
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50414376 (CHEMBL561250) Show SMILES NC(SCCCc1cnc[nH]1)=NCCc1ccc(Br)cc1 |w:11.12| Show InChI InChI=1S/C15H19BrN4S/c16-13-5-3-12(4-6-13)7-8-19-15(17)21-9-1-2-14-10-18-11-20-14/h3-6,10-11H,1-2,7-9H2,(H2,17,19)(H,18,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.94	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VU University Amsterdam Curated by ChEMBL					Assay Description Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in human SK-N-MC cells by liquid scintillation counting				Bioorg Med Chem 17: 3987-94 (2009) Article DOI: 10.1016/j.bmc.2009.04.007 BindingDB Entry DOI: 10.7270/Q2SQ91MW
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50414373 (CHEMBL1202319) Show SMILES COc1ccc(CN=C(N)SCCCc2cnc[nH]2)cc1 |w:7.6| Show InChI InChI=1S/C15H20N4OS/c1-20-14-6-4-12(5-7-14)9-18-15(16)21-8-2-3-13-10-17-11-19-13/h4-7,10-11H,2-3,8-9H2,1H3,(H2,16,18)(H,17,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.94	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VU University Amsterdam Curated by ChEMBL					Assay Description Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in human SK-N-MC cells by liquid scintillation counting				Bioorg Med Chem 17: 3987-94 (2009) Article DOI: 10.1016/j.bmc.2009.04.007 BindingDB Entry DOI: 10.7270/Q2SQ91MW
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM22541 (Clobenpropit | N''-[(4-chlorophenyl)methyl]{[3-(1H...) Show SMILES NC(SCCCc1cnc[nH]1)=NCc1ccc(Cl)cc1 |w:11.12| Show InChI InChI=1S/C14H17ClN4S/c15-12-5-3-11(4-6-12)8-18-14(16)20-7-1-2-13-9-17-10-19-13/h3-6,9-10H,1-2,7-8H2,(H2,16,18)(H,17,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase 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
VU University Amsterdam Curated by ChEMBL					Assay Description Displacement of [3H]histamine from human histamine H4 receptor expressed in human SK-N-MC cells by liquid scintillation counting				Bioorg Med Chem 17: 3987-94 (2009) Article DOI: 10.1016/j.bmc.2009.04.007 BindingDB Entry DOI: 10.7270/Q2SQ91MW
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM50414386 (CHEMBL1202318) Show SMILES NC(SCCCc1cnc[nH]1)=NCc1ccccc1Cl |w:11.12| Show InChI InChI=1S/C14H17ClN4S/c15-13-6-2-1-4-11(13)8-18-14(16)20-7-3-5-12-9-17-10-19-12/h1-2,4,6,9-10H,3,5,7-8H2,(H2,16,18)(H,17,19)	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
VU University Amsterdam Curated by ChEMBL					Assay Description Displacement of [3H]histamine from human histamine H4 receptor expressed in human SK-N-MC cells by liquid scintillation counting				Bioorg Med Chem 17: 3987-94 (2009) Article DOI: 10.1016/j.bmc.2009.04.007 BindingDB Entry DOI: 10.7270/Q2SQ91MW
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50414375 (CHEMBL1202322) Show SMILES NC(SCCCc1cnc[nH]1)=NCCc1ccc(Cl)cc1 |w:11.12| Show InChI InChI=1S/C15H19ClN4S/c16-13-5-3-12(4-6-13)7-8-19-15(17)21-9-1-2-14-10-18-11-20-14/h3-6,10-11H,1-2,7-9H2,(H2,17,19)(H,18,20)	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
VU University Amsterdam Curated by ChEMBL					Assay Description Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in human SK-N-MC cells by liquid scintillation counting				Bioorg Med Chem 17: 3987-94 (2009) Article DOI: 10.1016/j.bmc.2009.04.007 BindingDB Entry DOI: 10.7270/Q2SQ91MW
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM50414388 (CHEMBL1202321) Show SMILES NC(SCCCc1cnc[nH]1)=NCc1ccc(I)cc1 |w:11.12| Show InChI InChI=1S/C14H17IN4S/c15-12-5-3-11(4-6-12)8-18-14(16)20-7-1-2-13-9-17-10-19-13/h3-6,9-10H,1-2,7-8H2,(H2,16,18)(H,17,19)	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
VU University Amsterdam Curated by ChEMBL					Assay Description Displacement of [3H]histamine from human histamine H4 receptor expressed in human SK-N-MC cells by liquid scintillation counting				Bioorg Med Chem 17: 3987-94 (2009) Article DOI: 10.1016/j.bmc.2009.04.007 BindingDB Entry DOI: 10.7270/Q2SQ91MW
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM50414387 (CHEMBL1743881) Show SMILES NC(SCCCc1cnc[nH]1)=NCc1ccc(Br)cc1 |w:11.12| Show InChI InChI=1S/C14H17BrN4S/c15-12-5-3-11(4-6-12)8-18-14(16)20-7-1-2-13-9-17-10-19-13/h3-6,9-10H,1-2,7-8H2,(H2,16,18)(H,17,19)	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
VU University Amsterdam Curated by ChEMBL					Assay Description Displacement of [3H]histamine from human histamine H4 receptor expressed in human SK-N-MC cells by liquid scintillation counting				Bioorg Med Chem 17: 3987-94 (2009) Article DOI: 10.1016/j.bmc.2009.04.007 BindingDB Entry DOI: 10.7270/Q2SQ91MW
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50414382 (CHEMBL1202331) Show SMILES N=C(NCCCc1ccccc1)SCCCc1cnc[nH]1 Show InChI InChI=1S/C16H22N4S/c17-16(21-11-5-9-15-12-18-13-20-15)19-10-4-8-14-6-2-1-3-7-14/h1-3,6-7,12-13H,4-5,8-11H2,(H2,17,19)(H,18,20)	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
VU University Amsterdam Curated by ChEMBL					Assay Description Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in human SK-N-MC cells by liquid scintillation counting				Bioorg Med Chem 17: 3987-94 (2009) Article DOI: 10.1016/j.bmc.2009.04.007 BindingDB Entry DOI: 10.7270/Q2SQ91MW
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM50414373 (CHEMBL1202319) Show SMILES COc1ccc(CN=C(N)SCCCc2cnc[nH]2)cc1 |w:7.6| Show InChI InChI=1S/C15H20N4OS/c1-20-14-6-4-12(5-7-14)9-18-15(16)21-8-2-3-13-10-17-11-19-13/h4-7,10-11H,2-3,8-9H2,1H3,(H2,16,18)(H,17,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VU University Amsterdam Curated by ChEMBL					Assay Description Displacement of [3H]histamine from human histamine H4 receptor expressed in human SK-N-MC cells by liquid scintillation counting				Bioorg Med Chem 17: 3987-94 (2009) Article DOI: 10.1016/j.bmc.2009.04.007 BindingDB Entry DOI: 10.7270/Q2SQ91MW
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM22912 (VUF 8328 | VUF8328 | {[3-(1H-imidazol-4-yl)propyl]...) Show SMILES NC(=N)SCCCc1cnc[nH]1 Show InChI InChI=1S/C7H12N4S/c8-7(9)12-3-1-2-6-4-10-5-11-6/h4-5H,1-3H2,(H3,8,9)(H,10,11)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	12.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VU University Amsterdam Curated by ChEMBL					Assay Description Displacement of [3H]histamine from human histamine H4 receptor expressed in human SK-N-MC cells by liquid scintillation counting				Bioorg Med Chem 17: 3987-94 (2009) Article DOI: 10.1016/j.bmc.2009.04.007 BindingDB Entry DOI: 10.7270/Q2SQ91MW
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50414378 (CHEMBL1202320) Show SMILES Cc1ccc(CCN=C(N)SCCCc2cnc[nH]2)cc1 |w:7.6| Show InChI InChI=1S/C16H22N4S/c1-13-4-6-14(7-5-13)8-9-19-16(17)21-10-2-3-15-11-18-12-20-15/h4-7,11-12H,2-3,8-10H2,1H3,(H2,17,19)(H,18,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VU University Amsterdam Curated by ChEMBL					Assay Description Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in human SK-N-MC cells by liquid scintillation counting				Bioorg Med Chem 17: 3987-94 (2009) Article DOI: 10.1016/j.bmc.2009.04.007 BindingDB Entry DOI: 10.7270/Q2SQ91MW
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM50414385 (CHEMBL1202326) Show SMILES NC(SCCCc1cnc[nH]1)=NCc1cccc(Cl)c1 |w:11.12| Show InChI InChI=1S/C14H17ClN4S/c15-12-4-1-3-11(7-12)8-18-14(16)20-6-2-5-13-9-17-10-19-13/h1,3-4,7,9-10H,2,5-6,8H2,(H2,16,18)(H,17,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	15.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VU University Amsterdam Curated by ChEMBL					Assay Description Displacement of [3H]histamine from human histamine H4 receptor expressed in human SK-N-MC cells by liquid scintillation counting				Bioorg Med Chem 17: 3987-94 (2009) Article DOI: 10.1016/j.bmc.2009.04.007 BindingDB Entry DOI: 10.7270/Q2SQ91MW
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM22913 (CHEMBL1237146 | CHEMBL498770 | Iodophenpropit | {[...) Show SMILES NC(SCCCc1cnc[nH]1)=NCCc1ccc(I)cc1 |w:11.12| Show InChI InChI=1S/C15H19IN4S/c16-13-5-3-12(4-6-13)7-8-19-15(17)21-9-1-2-14-10-18-11-20-14/h3-6,10-11H,1-2,7-9H2,(H2,17,19)(H,18,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	15.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VU University Amsterdam Curated by ChEMBL					Assay Description Displacement of [3H]histamine from human histamine H4 receptor expressed in human SK-N-MC cells by liquid scintillation counting				Bioorg Med Chem 17: 3987-94 (2009) Article DOI: 10.1016/j.bmc.2009.04.007 BindingDB Entry DOI: 10.7270/Q2SQ91MW
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50414383 (CHEMBL551047) Show SMILES NC(SCCCc1cnc[nH]1)=NCCCCc1ccccc1 |w:11.12| Show InChI InChI=1S/C17H24N4S/c18-17(22-12-6-10-16-13-19-14-21-16)20-11-5-4-9-15-7-2-1-3-8-15/h1-3,7-8,13-14H,4-6,9-12H2,(H2,18,20)(H,19,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	19.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VU University Amsterdam Curated by ChEMBL					Assay Description Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in human SK-N-MC cells by liquid scintillation counting				Bioorg Med Chem 17: 3987-94 (2009) Article DOI: 10.1016/j.bmc.2009.04.007 BindingDB Entry DOI: 10.7270/Q2SQ91MW
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50414374 (CHEMBL1202330) Show SMILES N=C(NCCc1ccccc1)SCCCc1cnc[nH]1 Show InChI InChI=1S/C15H20N4S/c16-15(18-9-8-13-5-2-1-3-6-13)20-10-4-7-14-11-17-12-19-14/h1-3,5-6,11-12H,4,7-10H2,(H2,16,18)(H,17,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	19.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VU University Amsterdam Curated by ChEMBL					Assay Description Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in human SK-N-MC cells by liquid scintillation counting				Bioorg Med Chem 17: 3987-94 (2009) Article DOI: 10.1016/j.bmc.2009.04.007 BindingDB Entry DOI: 10.7270/Q2SQ91MW
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50414379 (CHEMBL1202325) Show SMILES COc1ccc(CCN=C(N)SCCCc2cnc[nH]2)cc1 |w:8.7| Show InChI InChI=1S/C16H22N4OS/c1-21-15-6-4-13(5-7-15)8-9-19-16(17)22-10-2-3-14-11-18-12-20-14/h4-7,11-12H,2-3,8-10H2,1H3,(H2,17,19)(H,18,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	19.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VU University Amsterdam Curated by ChEMBL					Assay Description Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in human SK-N-MC cells by liquid scintillation counting				Bioorg Med Chem 17: 3987-94 (2009) Article DOI: 10.1016/j.bmc.2009.04.007 BindingDB Entry DOI: 10.7270/Q2SQ91MW
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50516303 (CHEMBL4473425) Show SMILES COc1ccc(cc1)-c1oc2ccccc2c1C(=O)c1ccc(NCc2ccc(cc2)C#N)cc1 Show InChI InChI=1S/C30H22N2O3/c1-34-25-16-12-23(13-17-25)30-28(26-4-2-3-5-27(26)35-30)29(33)22-10-14-24(15-11-22)32-19-21-8-6-20(18-31)7-9-21/h2-17,32H,19H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Alma Mater Studiorum-University of Bologna Curated by ChEMBL					Assay Description Displacement of 3[H]-CP55940 from human recombinant CB2 receptor expressed in HEK293 cell membranes measured after 90 mins by Cheng-Prusoff equation ...				Eur J Med Chem 178: 243-258 (2019) Article DOI: 10.1016/j.ejmech.2019.05.080 BindingDB Entry DOI: 10.7270/Q2VX0KVX
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50516290 (CHEMBL4442990) Show SMILES COc1ccc(cc1)-c1oc2ccccc2c1C(=O)c1ccc(NCc2ccc(F)cc2)cc1 Show InChI InChI=1S/C29H22FNO3/c1-33-24-16-10-21(11-17-24)29-27(25-4-2-3-5-26(25)34-29)28(32)20-8-14-23(15-9-20)31-18-19-6-12-22(30)13-7-19/h2-17,31H,18H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Alma Mater Studiorum-University of Bologna Curated by ChEMBL					Assay Description Displacement of 3[H]-CP55940 from human recombinant CB2 receptor expressed in HEK293 cell membranes measured after 90 mins by Cheng-Prusoff equation ...				Eur J Med Chem 178: 243-258 (2019) Article DOI: 10.1016/j.ejmech.2019.05.080 BindingDB Entry DOI: 10.7270/Q2VX0KVX
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50516288 (CHEMBL4530405) Show SMILES COc1ccc(cc1)-c1oc2ccccc2c1C(=O)c1ccc(cc1)N(C)Cc1ccc(F)cc1 Show InChI InChI=1S/C30H24FNO3/c1-32(19-20-7-13-23(31)14-8-20)24-15-9-21(10-16-24)29(33)28-26-5-3-4-6-27(26)35-30(28)22-11-17-25(34-2)18-12-22/h3-18H,19H2,1-2H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Alma Mater Studiorum-University of Bologna Curated by ChEMBL					Assay Description Displacement of 3[H]-CP55940 from human recombinant CB1 receptor expressed in HEK293 cell membranes measured after 90 mins by Cheng-Prusoff equation ...				Eur J Med Chem 178: 243-258 (2019) Article DOI: 10.1016/j.ejmech.2019.05.080 BindingDB Entry DOI: 10.7270/Q2VX0KVX
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM8960 ((+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimet...) Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC Show InChI InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	20.5	-45.6	23.1	n/a	n/a	n/a	n/a	8.0	37
University of Bologna					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. Estimates of the competitive inhibition constants (Ki) were ob...				J Med Chem 46: 2279-82 (2003) Article DOI: 10.1021/jm0340602 BindingDB Entry DOI: 10.7270/Q29Z9332
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Homo sapiens (Human))	BDBM10949 (3-(4-{[Benzyl(methyl)amino]methyl}-phenyl)-6,7-dim...) Show SMILES COc1cc2cc(-c3ccc(CN(C)Cc4ccccc4)cc3)c(=O)oc2cc1OC Show InChI InChI=1S/C26H25NO4/c1-27(16-18-7-5-4-6-8-18)17-19-9-11-20(12-10-19)22-13-21-14-24(29-2)25(30-3)15-23(21)31-26(22)28/h4-15H,16-17H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	21.7	-45.5	44.5	n/a	n/a	n/a	n/a	8.0	37
University of Bologna					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. Estimates of the competitive inhibition constants (Ki) were ob...				J Med Chem 46: 2279-82 (2003) Article DOI: 10.1021/jm0340602 BindingDB Entry DOI: 10.7270/Q29Z9332
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM50414381 (CHEMBL1202323) Show SMILES N=C(NCCC(c1ccccc1)c1ccccc1)SCCCc1cnc[nH]1 Show InChI InChI=1S/C22H26N4S/c23-22(27-15-7-12-20-16-24-17-26-20)25-14-13-21(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-6,8-11,16-17,21H,7,12-15H2,(H2,23,25)(H,24,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	25.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VU University Amsterdam Curated by ChEMBL					Assay Description Displacement of [3H]histamine from human histamine H4 receptor expressed in human SK-N-MC cells by liquid scintillation counting				Bioorg Med Chem 17: 3987-94 (2009) Article DOI: 10.1016/j.bmc.2009.04.007 BindingDB Entry DOI: 10.7270/Q2SQ91MW
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM50414390 (CHEMBL1202328) Show SMILES NC(SCCCc1cnc[nH]1)=NCc1ccc(F)cc1 |w:11.12| Show InChI InChI=1S/C14H17FN4S/c15-12-5-3-11(4-6-12)8-18-14(16)20-7-1-2-13-9-17-10-19-13/h3-6,9-10H,1-2,7-8H2,(H2,16,18)(H,17,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	25.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VU University Amsterdam Curated by ChEMBL					Assay Description Displacement of [3H]histamine from human histamine H4 receptor expressed in human SK-N-MC cells by liquid scintillation counting				Bioorg Med Chem 17: 3987-94 (2009) Article DOI: 10.1016/j.bmc.2009.04.007 BindingDB Entry DOI: 10.7270/Q2SQ91MW
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM50414389 (CHEMBL1202324) Show SMILES N=C(NCc1ccccc1)SCCCc1cnc[nH]1 Show InChI InChI=1S/C14H18N4S/c15-14(17-9-12-5-2-1-3-6-12)19-8-4-7-13-10-16-11-18-13/h1-3,5-6,10-11H,4,7-9H2,(H2,15,17)(H,16,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	25.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VU University Amsterdam Curated by ChEMBL					Assay Description Displacement of [3H]histamine from human histamine H4 receptor expressed in human SK-N-MC cells by liquid scintillation counting				Bioorg Med Chem 17: 3987-94 (2009) Article DOI: 10.1016/j.bmc.2009.04.007 BindingDB Entry DOI: 10.7270/Q2SQ91MW
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM50414384 (CHEMBL552694) Show SMILES NC(NCc1ccccc1)=NCCCc1cnc[nH]1 |w:10.11| Show InChI InChI=1S/C14H19N5/c15-14(18-9-12-5-2-1-3-6-12)17-8-4-7-13-10-16-11-19-13/h1-3,5-6,10-11H,4,7-9H2,(H,16,19)(H3,15,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	25.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VU University Amsterdam Curated by ChEMBL					Assay Description Displacement of [3H]histamine from human histamine H4 receptor expressed in human SK-N-MC cells by liquid scintillation counting				Bioorg Med Chem 17: 3987-94 (2009) Article DOI: 10.1016/j.bmc.2009.04.007 BindingDB Entry DOI: 10.7270/Q2SQ91MW
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM50414392 (CHEMBL1202329) Show SMILES Cc1ccc(CN=C(N)SCCCc2cnc[nH]2)cc1 |w:6.5| Show InChI InChI=1S/C15H20N4S/c1-12-4-6-13(7-5-12)9-18-15(16)20-8-2-3-14-10-17-11-19-14/h4-7,10-11H,2-3,8-9H2,1H3,(H2,16,18)(H,17,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	25.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VU University Amsterdam Curated by ChEMBL					Assay Description Displacement of [3H]histamine from human histamine H4 receptor expressed in human SK-N-MC cells by liquid scintillation counting				Bioorg Med Chem 17: 3987-94 (2009) Article DOI: 10.1016/j.bmc.2009.04.007 BindingDB Entry DOI: 10.7270/Q2SQ91MW
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM50414375 (CHEMBL1202322) Show SMILES NC(SCCCc1cnc[nH]1)=NCCc1ccc(Cl)cc1 |w:11.12| Show InChI InChI=1S/C15H19ClN4S/c16-13-5-3-12(4-6-13)7-8-19-15(17)21-9-1-2-14-10-18-11-20-14/h3-6,10-11H,1-2,7-9H2,(H2,17,19)(H,18,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	31.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VU University Amsterdam Curated by ChEMBL					Assay Description Displacement of [3H]histamine from human histamine H4 receptor expressed in human SK-N-MC cells by liquid scintillation counting				Bioorg Med Chem 17: 3987-94 (2009) Article DOI: 10.1016/j.bmc.2009.04.007 BindingDB Entry DOI: 10.7270/Q2SQ91MW
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50414381 (CHEMBL1202323) Show SMILES N=C(NCCC(c1ccccc1)c1ccccc1)SCCCc1cnc[nH]1 Show InChI InChI=1S/C22H26N4S/c23-22(27-15-7-12-20-16-24-17-26-20)25-14-13-21(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-6,8-11,16-17,21H,7,12-15H2,(H2,23,25)(H,24,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	31.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VU University Amsterdam Curated by ChEMBL					Assay Description Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in human SK-N-MC cells by liquid scintillation counting				Bioorg Med Chem 17: 3987-94 (2009) Article DOI: 10.1016/j.bmc.2009.04.007 BindingDB Entry DOI: 10.7270/Q2SQ91MW
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM50414376 (CHEMBL561250) Show SMILES NC(SCCCc1cnc[nH]1)=NCCc1ccc(Br)cc1 |w:11.12| Show InChI InChI=1S/C15H19BrN4S/c16-13-5-3-12(4-6-13)7-8-19-15(17)21-9-1-2-14-10-18-11-20-14/h3-6,10-11H,1-2,7-9H2,(H2,17,19)(H,18,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	39.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VU University Amsterdam Curated by ChEMBL					Assay Description Displacement of [3H]histamine from human histamine H4 receptor expressed in human SK-N-MC cells by liquid scintillation counting				Bioorg Med Chem 17: 3987-94 (2009) Article DOI: 10.1016/j.bmc.2009.04.007 BindingDB Entry DOI: 10.7270/Q2SQ91MW
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM50414382 (CHEMBL1202331) Show SMILES N=C(NCCCc1ccccc1)SCCCc1cnc[nH]1 Show InChI InChI=1S/C16H22N4S/c17-16(21-11-5-9-15-12-18-13-20-15)19-10-4-8-14-6-2-1-3-7-14/h1-3,6-7,12-13H,4-5,8-11H2,(H2,17,19)(H,18,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	50.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VU University Amsterdam Curated by ChEMBL					Assay Description Displacement of [3H]histamine from human histamine H4 receptor expressed in human SK-N-MC cells by liquid scintillation counting				Bioorg Med Chem 17: 3987-94 (2009) Article DOI: 10.1016/j.bmc.2009.04.007 BindingDB Entry DOI: 10.7270/Q2SQ91MW
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM22914 (CHEMBL260374 | N-cyclohexyl-4-(1H-imidazol-5-yl)pi...) Show SMILES S=C(NC1CCCCC1)N1CCC(CC1)c1cnc[nH]1 Show InChI InChI=1S/C15H24N4S/c20-15(18-13-4-2-1-3-5-13)19-8-6-12(7-9-19)14-10-16-11-17-14/h10-13H,1-9H2,(H,16,17)(H,18,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	50.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VU University Amsterdam Curated by ChEMBL					Assay Description Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in human SK-N-MC cells by liquid scintillation counting				Bioorg Med Chem 17: 3987-94 (2009) Article DOI: 10.1016/j.bmc.2009.04.007 BindingDB Entry DOI: 10.7270/Q2SQ91MW
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50308280 (2-{4-[(Benzylmethylamino)methyl]benzylidene}-6-(5-...) Show SMILES CN(Cc1ccccc1)Cc1ccc(\C=C2/CCc3cc(OCCCCCN4CCCCC4)ccc3C2=O)cc1 Show InChI InChI=1S/C36H44N2O2/c1-37(27-30-11-5-2-6-12-30)28-31-15-13-29(14-16-31)25-33-18-17-32-26-34(19-20-35(32)36(33)39)40-24-10-4-9-23-38-21-7-3-8-22-38/h2,5-6,11-16,19-20,25-26H,3-4,7-10,17-18,21-24,27-28H2,1H3/b33-25+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	61.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE-mediated hydrolysis of acetylcholine by Lineweaver-Burk plot analysis				Bioorg Med Chem 18: 1749-60 (2010) Article DOI: 10.1016/j.bmc.2010.01.071 BindingDB Entry DOI: 10.7270/Q2P26Z7H
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM50414383 (CHEMBL551047) Show SMILES NC(SCCCc1cnc[nH]1)=NCCCCc1ccccc1 |w:11.12| Show InChI InChI=1S/C17H24N4S/c18-17(22-12-6-10-16-13-19-14-21-16)20-11-5-4-9-15-7-2-1-3-8-15/h1-3,7-8,13-14H,4-6,9-12H2,(H2,18,20)(H,19,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	63.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VU University Amsterdam Curated by ChEMBL					Assay Description Displacement of [3H]histamine from human histamine H4 receptor expressed in human SK-N-MC cells by liquid scintillation counting				Bioorg Med Chem 17: 3987-94 (2009) Article DOI: 10.1016/j.bmc.2009.04.007 BindingDB Entry DOI: 10.7270/Q2SQ91MW
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM50414374 (CHEMBL1202330) Show SMILES N=C(NCCc1ccccc1)SCCCc1cnc[nH]1 Show InChI InChI=1S/C15H20N4S/c16-15(18-9-8-13-5-2-1-3-6-13)20-10-4-7-14-11-17-12-19-14/h1-3,5-6,11-12H,4,7-10H2,(H2,16,18)(H,17,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	63.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VU University Amsterdam Curated by ChEMBL					Assay Description Displacement of [3H]histamine from human histamine H4 receptor expressed in human SK-N-MC cells by liquid scintillation counting				Bioorg Med Chem 17: 3987-94 (2009) Article DOI: 10.1016/j.bmc.2009.04.007 BindingDB Entry DOI: 10.7270/Q2SQ91MW
					More data for this Ligand-Target Pair

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