Compile Data Set for Download or QSAR

Found 63 hits with Last Name = 'silva-marques' and Initial = 'b'   

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 (Mus musculus)	BDBM50514105 (CHEMBL4441731) Show SMILES O.OC(=O)\C=C\C(O)=O.CCCNC1CN(C1)c1ccnc(N)n1 Show InChI InChI=1S/C10H17N5/c1-2-4-12-8-6-15(7-8)9-3-5-13-10(11)14-9/h3,5,8,12H,2,4,6-7H2,1H3,(H2,11,13,14)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Amsterdam Curated by ChEMBL					Assay Description Displacement of [3H]NAMH from mouse H3R expressed in HEK293T cells incubated for 2 hrs by microbeta scintillation counting analysis				J Med Chem 62: 10848-10866 (2019) Article DOI: 10.1021/acs.jmedchem.9b01462 BindingDB Entry DOI: 10.7270/Q2M61PKJ
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50514105 (CHEMBL4441731) Show SMILES O.OC(=O)\C=C\C(O)=O.CCCNC1CN(C1)c1ccnc(N)n1 Show InChI InChI=1S/C10H17N5/c1-2-4-12-8-6-15(7-8)9-3-5-13-10(11)14-9/h3,5,8,12H,2,4,6-7H2,1H3,(H2,11,13,14)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Amsterdam Curated by ChEMBL					Assay Description Displacement of [3H]NAMH from human H3R expressed in HEK293T cells incubated for 2 hrs by microbeta scintillation counting analysis				J Med Chem 62: 10848-10866 (2019) Article DOI: 10.1021/acs.jmedchem.9b01462 BindingDB Entry DOI: 10.7270/Q2M61PKJ
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50514097 (CHEMBL4466700) Show SMILES OC(=O)\C=C\C(O)=O.CNC1CN(C1)c1ccnc(N)n1 Show InChI InChI=1S/C8H13N5/c1-10-6-4-13(5-6)7-2-3-11-8(9)12-7/h2-3,6,10H,4-5H2,1H3,(H2,9,11,12)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Amsterdam Curated by ChEMBL					Assay Description Displacement of [3H]NAMH from human H3R expressed in HEK293T cells incubated for 2 hrs by microbeta scintillation counting analysis				J Med Chem 62: 10848-10866 (2019) Article DOI: 10.1021/acs.jmedchem.9b01462 BindingDB Entry DOI: 10.7270/Q2M61PKJ
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM50514105 (CHEMBL4441731) Show SMILES O.OC(=O)\C=C\C(O)=O.CCCNC1CN(C1)c1ccnc(N)n1 Show InChI InChI=1S/C10H17N5/c1-2-4-12-8-6-15(7-8)9-3-5-13-10(11)14-9/h3,5,8,12H,2,4,6-7H2,1H3,(H2,11,13,14)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Amsterdam Curated by ChEMBL					Assay Description Displacement of [3H]NAMH from human H4R expressed in HEK293T cells incubated for 2 hrs by microbeta scintillation counting analysis				J Med Chem 62: 10848-10866 (2019) Article DOI: 10.1021/acs.jmedchem.9b01462 BindingDB Entry DOI: 10.7270/Q2M61PKJ
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50121205 (CHEBI:18295 | Histamine) Show SMILES NCCc1c[nH]cn1 Show InChI InChI=1S/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid PDB UniChem Patents	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Amsterdam Curated by ChEMBL					Assay Description Displacement of [3H]-N-alpha-methylhistamine from human histamine H3 receptor expressed in SK-N-MC cells incubated for 40 min by liquid scintillation...				J Med Chem 62: 10848-10866 (2019) Article DOI: 10.1021/acs.jmedchem.9b01462 BindingDB Entry DOI: 10.7270/Q2M61PKJ
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50514107 (CHEMBL4535316) Show SMILES OC(=O)\C=C\C(O)=O.CCNC1CN(C1)c1ccnc(N)n1 Show InChI InChI=1S/C9H15N5/c1-2-11-7-5-14(6-7)8-3-4-12-9(10)13-8/h3-4,7,11H,2,5-6H2,1H3,(H2,10,12,13)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Amsterdam Curated by ChEMBL					Assay Description Displacement of [3H]NAMH from human H3R expressed in HEK293T cells incubated for 2 hrs by microbeta scintillation counting analysis				J Med Chem 62: 10848-10866 (2019) Article DOI: 10.1021/acs.jmedchem.9b01462 BindingDB Entry DOI: 10.7270/Q2M61PKJ
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50514111 (CHEMBL4516714) Show SMILES OC(=O)\C=C\C(O)=O.CCC(C)NC1CN(C1)c1ccnc(N)n1 Show InChI InChI=1S/C11H19N5.C4H4O4/c1-3-8(2)14-9-6-16(7-9)10-4-5-13-11(12)15-10;5-3(6)1-2-4(7)8/h4-5,8-9,14H,3,6-7H2,1-2H3,(H2,12,13,15);1-2H,(H,5,6)(H,7,8)/b;2-1+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Amsterdam Curated by ChEMBL					Assay Description Displacement of [3H]NAMH from human H3R expressed in HEK293T cells incubated for 2 hrs by microbeta scintillation counting analysis				J Med Chem 62: 10848-10866 (2019) Article DOI: 10.1021/acs.jmedchem.9b01462 BindingDB Entry DOI: 10.7270/Q2M61PKJ
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50121205 (CHEBI:18295 | Histamine) Show SMILES NCCc1c[nH]cn1 Show InChI InChI=1S/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid PDB UniChem Patents	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Amsterdam Curated by ChEMBL					Assay Description Displacement of [3H]NAMH from human H3R expressed in HEK293T cells incubated for 2 hrs by microbeta scintillation counting analysis				J Med Chem 62: 10848-10866 (2019) Article DOI: 10.1021/acs.jmedchem.9b01462 BindingDB Entry DOI: 10.7270/Q2M61PKJ
					More data for this Ligand-Target Pair
Histamine H4 receptor (Mus musculus (mouse))	BDBM50514105 (CHEMBL4441731) Show SMILES O.OC(=O)\C=C\C(O)=O.CCCNC1CN(C1)c1ccnc(N)n1 Show InChI InChI=1S/C10H17N5/c1-2-4-12-8-6-15(7-8)9-3-5-13-10(11)14-9/h3,5,8,12H,2,4,6-7H2,1H3,(H2,11,13,14)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Amsterdam Curated by ChEMBL					Assay Description Displacement of [3H]histamine from mouse H4R expressed in HEK293T cells incubated for 2 hrs by microbeta scintillation counting analysis				J Med Chem 62: 10848-10866 (2019) Article DOI: 10.1021/acs.jmedchem.9b01462 BindingDB Entry DOI: 10.7270/Q2M61PKJ
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50514102 (CHEMBL4459469) Show SMILES OC(=O)\C=C\C(O)=O.NC1CN(C1)c1ccnc(N)n1 Show InChI InChI=1S/C7H11N5/c8-5-3-12(4-5)6-1-2-10-7(9)11-6/h1-2,5H,3-4,8H2,(H2,9,10,11)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Amsterdam Curated by ChEMBL					Assay Description Displacement of [3H]NAMH from human H3R expressed in HEK293T cells incubated for 2 hrs by microbeta scintillation counting analysis				J Med Chem 62: 10848-10866 (2019) Article DOI: 10.1021/acs.jmedchem.9b01462 BindingDB Entry DOI: 10.7270/Q2M61PKJ
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50514091 (CHEMBL4560428) Show SMILES OC(=O)\C=C\C(O)=O.CCCCNC1CN(C1)c1ccnc(N)n1 Show InChI InChI=1S/C11H19N5/c1-2-3-5-13-9-7-16(8-9)10-4-6-14-11(12)15-10/h4,6,9,13H,2-3,5,7-8H2,1H3,(H2,12,14,15)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Amsterdam Curated by ChEMBL					Assay Description Displacement of [3H]NAMH from human H3R expressed in HEK293T cells incubated for 2 hrs by microbeta scintillation counting analysis				J Med Chem 62: 10848-10866 (2019) Article DOI: 10.1021/acs.jmedchem.9b01462 BindingDB Entry DOI: 10.7270/Q2M61PKJ
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50514092 (CHEMBL4468740) Show SMILES Cl.Cl.CNC1CN(C1)c1cc(C)nc(N)n1 Show InChI InChI=1S/C9H15N5/c1-6-3-8(13-9(10)12-6)14-4-7(5-14)11-2/h3,7,11H,4-5H2,1-2H3,(H2,10,12,13)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Amsterdam Curated by ChEMBL					Assay Description Displacement of [3H]NAMH from human H3R expressed in HEK293T cells incubated for 2 hrs by microbeta scintillation counting analysis				J Med Chem 62: 10848-10866 (2019) Article DOI: 10.1021/acs.jmedchem.9b01462 BindingDB Entry DOI: 10.7270/Q2M61PKJ
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50514104 (CHEMBL4539015) Show SMILES OC(=O)\C=C\C(O)=O.Nc1nccc(n1)N1CC(C1)N1CCCC1 Show InChI InChI=1S/C11H17N5/c12-11-13-4-3-10(14-11)16-7-9(8-16)15-5-1-2-6-15/h3-4,9H,1-2,5-8H2,(H2,12,13,14)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Amsterdam Curated by ChEMBL					Assay Description Displacement of [3H]NAMH from human H3R expressed in HEK293T cells incubated for 2 hrs by microbeta scintillation counting analysis				J Med Chem 62: 10848-10866 (2019) Article DOI: 10.1021/acs.jmedchem.9b01462 BindingDB Entry DOI: 10.7270/Q2M61PKJ
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50514103 (CHEMBL4579823) Show SMILES OC(=O)\C=C\C(O)=O.CC(C)CNC1CN(C1)c1ccnc(N)n1 Show InChI InChI=1S/C11H19N5/c1-8(2)5-14-9-6-16(7-9)10-3-4-13-11(12)15-10/h3-4,8-9,14H,5-7H2,1-2H3,(H2,12,13,15)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Amsterdam Curated by ChEMBL					Assay Description Displacement of [3H]NAMH from human H3R expressed in HEK293T cells incubated for 2 hrs by microbeta scintillation counting analysis				J Med Chem 62: 10848-10866 (2019) Article DOI: 10.1021/acs.jmedchem.9b01462 BindingDB Entry DOI: 10.7270/Q2M61PKJ
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50514098 (CHEMBL4476584) Show SMILES OC(=O)\C=C\C(O)=O.CC(C)NC1CN(C1)c1ccnc(N)n1 Show InChI InChI=1S/C10H17N5/c1-7(2)13-8-5-15(6-8)9-3-4-12-10(11)14-9/h3-4,7-8,13H,5-6H2,1-2H3,(H2,11,12,14)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Amsterdam Curated by ChEMBL					Assay Description Displacement of [3H]NAMH from human H3R expressed in HEK293T cells incubated for 2 hrs by microbeta scintillation counting analysis				J Med Chem 62: 10848-10866 (2019) Article DOI: 10.1021/acs.jmedchem.9b01462 BindingDB Entry DOI: 10.7270/Q2M61PKJ
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50514093 (CHEMBL4468827) Show SMILES Cc1cc(nc(N)n1)N1CC(N)C1 Show InChI InChI=1S/C8H13N5/c1-5-2-7(12-8(10)11-5)13-3-6(9)4-13/h2,6H,3-4,9H2,1H3,(H2,10,11,12)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Amsterdam Curated by ChEMBL					Assay Description Displacement of [3H]NAMH from human H3R expressed in HEK293T cells incubated for 2 hrs by microbeta scintillation counting analysis				J Med Chem 62: 10848-10866 (2019) Article DOI: 10.1021/acs.jmedchem.9b01462 BindingDB Entry DOI: 10.7270/Q2M61PKJ
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50514099 (CHEMBL4455352) Show SMILES OC(=O)\C=C\C(O)=O.CN(C)C1CN(C1)c1ccnc(N)n1 Show InChI InChI=1S/C9H15N5/c1-13(2)7-5-14(6-7)8-3-4-11-9(10)12-8/h3-4,7H,5-6H2,1-2H3,(H2,10,11,12)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Amsterdam Curated by ChEMBL					Assay Description Displacement of [3H]NAMH from human H3R expressed in HEK293T cells incubated for 2 hrs by microbeta scintillation counting analysis				J Med Chem 62: 10848-10866 (2019) Article DOI: 10.1021/acs.jmedchem.9b01462 BindingDB Entry DOI: 10.7270/Q2M61PKJ
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50514108 (CHEMBL4458116) Show SMILES [H][C@]12C[C@@]3([H])C[C@@H](C[C@H](C)N3C[C@@]1(C[C@]1(C(=O)Nc3c1cccc3C(=O)[C@H]1OC1(C)C)[C@]2(C)C=O)NC)OC(=O)CCCC |r| Show InChI InChI=1S/C33H45N3O6/c1-7-8-12-25(38)41-21-13-19(2)36-17-32(34-6)16-33(31(5,18-37)24(32)15-20(36)14-21)23-11-9-10-22(26(23)35-29(33)40)27(39)28-30(3,4)42-28/h9-11,18-21,24,28,34H,7-8,12-17H2,1-6H3,(H,35,40)/t19-,20+,21+,24+,28+,31+,32+,33-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Amsterdam Curated by ChEMBL					Assay Description Displacement of [3H]-N-alpha-methylhistamine from human histamine H3 receptor expressed in CHO cells incubated for 40 min by liquid scintillation cou...				J Med Chem 62: 10848-10866 (2019) Article DOI: 10.1021/acs.jmedchem.9b01462 BindingDB Entry DOI: 10.7270/Q2M61PKJ
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50514094 (CHEMBL4535363) Show SMILES CCc1cc(nc(N)n1)N1CC(C1)NC Show InChI InChI=1S/C10H17N5/c1-3-7-4-9(14-10(11)13-7)15-5-8(6-15)12-2/h4,8,12H,3,5-6H2,1-2H3,(H2,11,13,14)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Amsterdam Curated by ChEMBL					Assay Description Displacement of [3H]NAMH from human H3R expressed in HEK293T cells incubated for 2 hrs by microbeta scintillation counting analysis				J Med Chem 62: 10848-10866 (2019) Article DOI: 10.1021/acs.jmedchem.9b01462 BindingDB Entry DOI: 10.7270/Q2M61PKJ
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50514100 (CHEMBL4555457) Show SMILES OC(=O)\C=C\C(O)=O.CCN(CC)C1CN(C1)c1ccnc(N)n1 Show InChI InChI=1S/C11H19N5/c1-3-15(4-2)9-7-16(8-9)10-5-6-13-11(12)14-10/h5-6,9H,3-4,7-8H2,1-2H3,(H2,12,13,14)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	63	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Amsterdam Curated by ChEMBL					Assay Description Displacement of [3H]NAMH from human H3R expressed in HEK293T cells incubated for 2 hrs by microbeta scintillation counting analysis				J Med Chem 62: 10848-10866 (2019) Article DOI: 10.1021/acs.jmedchem.9b01462 BindingDB Entry DOI: 10.7270/Q2M61PKJ
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50514095 (CHEMBL4459723) Show SMILES CCc1cc(nc(N)n1)N1CC(N)C1 Show InChI InChI=1S/C9H15N5/c1-2-7-3-8(13-9(11)12-7)14-4-6(10)5-14/h3,6H,2,4-5,10H2,1H3,(H2,11,12,13)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	79	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Amsterdam Curated by ChEMBL					Assay Description Displacement of [3H]NAMH from human H3R expressed in HEK293T cells incubated for 2 hrs by microbeta scintillation counting analysis				J Med Chem 62: 10848-10866 (2019) Article DOI: 10.1021/acs.jmedchem.9b01462 BindingDB Entry DOI: 10.7270/Q2M61PKJ
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50514110 (CHEMBL4469111) Show SMILES CCNC1CN(C1)c1cc(C)nc(N)n1 Show InChI InChI=1S/C10H17N5/c1-3-12-8-5-15(6-8)9-4-7(2)13-10(11)14-9/h4,8,12H,3,5-6H2,1-2H3,(H2,11,13,14)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	79	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Amsterdam Curated by ChEMBL					Assay Description Displacement of [3H]NAMH from human H3R expressed in HEK293T cells incubated for 2 hrs by microbeta scintillation counting analysis				J Med Chem 62: 10848-10866 (2019) Article DOI: 10.1021/acs.jmedchem.9b01462 BindingDB Entry DOI: 10.7270/Q2M61PKJ
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50514089 (CHEMBL4470781) Show SMILES CNC1CN(C1)c1cc(nc(N)n1)C(C)C Show InChI InChI=1S/C11H19N5/c1-7(2)9-4-10(15-11(12)14-9)16-5-8(6-16)13-3/h4,7-8,13H,5-6H2,1-3H3,(H2,12,14,15)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Amsterdam Curated by ChEMBL					Assay Description Displacement of [3H]NAMH from human H3R expressed in HEK293T cells incubated for 2 hrs by microbeta scintillation counting analysis				J Med Chem 62: 10848-10866 (2019) Article DOI: 10.1021/acs.jmedchem.9b01462 BindingDB Entry DOI: 10.7270/Q2M61PKJ
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50514096 (CHEMBL4439165) Show SMILES CCNC1CN(C1)c1cc(nc(N)n1)C(C)C Show InChI InChI=1S/C12H21N5/c1-4-14-9-6-17(7-9)11-5-10(8(2)3)15-12(13)16-11/h5,8-9,14H,4,6-7H2,1-3H3,(H2,13,15,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Amsterdam Curated by ChEMBL					Assay Description Displacement of [3H]NAMH from human H3R expressed in HEK293T cells incubated for 2 hrs by microbeta scintillation counting analysis				J Med Chem 62: 10848-10866 (2019) Article DOI: 10.1021/acs.jmedchem.9b01462 BindingDB Entry DOI: 10.7270/Q2M61PKJ
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50514106 (CHEMBL4570258) Show SMILES CCNC1CN(C1)c1cc(CC)nc(N)n1 Show InChI InChI=1S/C11H19N5/c1-3-8-5-10(15-11(12)14-8)16-6-9(7-16)13-4-2/h5,9,13H,3-4,6-7H2,1-2H3,(H2,12,14,15)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	126	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Amsterdam Curated by ChEMBL					Assay Description Displacement of [3H]NAMH from human H3R expressed in HEK293T cells incubated for 2 hrs by microbeta scintillation counting analysis				J Med Chem 62: 10848-10866 (2019) Article DOI: 10.1021/acs.jmedchem.9b01462 BindingDB Entry DOI: 10.7270/Q2M61PKJ
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50514109 (CHEMBL4519616) Show SMILES CC(C)c1cc(nc(N)n1)N1CC(C1)N(C)C Show InChI InChI=1S/C12H21N5/c1-8(2)10-5-11(15-12(13)14-10)17-6-9(7-17)16(3)4/h5,8-9H,6-7H2,1-4H3,(H2,13,14,15)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	126	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Amsterdam Curated by ChEMBL					Assay Description Displacement of [3H]NAMH from human H3R expressed in HEK293T cells incubated for 2 hrs by microbeta scintillation counting analysis				J Med Chem 62: 10848-10866 (2019) Article DOI: 10.1021/acs.jmedchem.9b01462 BindingDB Entry DOI: 10.7270/Q2M61PKJ
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50514090 (CHEMBL4452204) Show SMILES CC(C)c1cc(nc(N)n1)N1CC(N)C1 Show InChI InChI=1S/C10H17N5/c1-6(2)8-3-9(14-10(12)13-8)15-4-7(11)5-15/h3,6-7H,4-5,11H2,1-2H3,(H2,12,13,14)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Amsterdam Curated by ChEMBL					Assay Description Displacement of [3H]NAMH from human H3R expressed in HEK293T cells incubated for 2 hrs by microbeta scintillation counting analysis				J Med Chem 62: 10848-10866 (2019) Article DOI: 10.1021/acs.jmedchem.9b01462 BindingDB Entry DOI: 10.7270/Q2M61PKJ
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50514101 (CHEMBL4461302) Show SMILES CCc1cc(nc(N)n1)N1CC(C1)N(C)C Show InChI InChI=1S/C11H19N5/c1-4-8-5-10(14-11(12)13-8)16-6-9(7-16)15(2)3/h5,9H,4,6-7H2,1-3H3,(H2,12,13,14)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	251	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Amsterdam Curated by ChEMBL					Assay Description Displacement of [3H]NAMH from human H3R expressed in HEK293T cells incubated for 2 hrs by microbeta scintillation counting analysis				J Med Chem 62: 10848-10866 (2019) Article DOI: 10.1021/acs.jmedchem.9b01462 BindingDB Entry DOI: 10.7270/Q2M61PKJ
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50514112 (CHEMBL4579385) Show SMILES CN(C)C1CN(C1)c1cc(C)nc(N)n1 Show InChI InChI=1S/C10H17N5/c1-7-4-9(13-10(11)12-7)15-5-8(6-15)14(2)3/h4,8H,5-6H2,1-3H3,(H2,11,12,13)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	316	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Amsterdam Curated by ChEMBL					Assay Description Displacement of [3H]NAMH from human H3R expressed in HEK293T cells incubated for 2 hrs by microbeta scintillation counting analysis				J Med Chem 62: 10848-10866 (2019) Article DOI: 10.1021/acs.jmedchem.9b01462 BindingDB Entry DOI: 10.7270/Q2M61PKJ
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50514105 (CHEMBL4441731) Show SMILES O.OC(=O)\C=C\C(O)=O.CCCNC1CN(C1)c1ccnc(N)n1 Show InChI InChI=1S/C10H17N5/c1-2-4-12-8-6-15(7-8)9-3-5-13-10(11)14-9/h3,5,8,12H,2,4,6-7H2,1H3,(H2,11,13,14)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Amsterdam Curated by ChEMBL					Assay Description Inhibition of human CYP2C9 expressed in baculovirus infected insect cells using beetle D-luciferin as substrate preincubated for 30 mins followed by ...				J Med Chem 62: 10848-10866 (2019) Article DOI: 10.1021/acs.jmedchem.9b01462 BindingDB Entry DOI: 10.7270/Q2M61PKJ
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50514105 (CHEMBL4441731) Show SMILES O.OC(=O)\C=C\C(O)=O.CCCNC1CN(C1)c1ccnc(N)n1 Show InChI InChI=1S/C10H17N5/c1-2-4-12-8-6-15(7-8)9-3-5-13-10(11)14-9/h3,5,8,12H,2,4,6-7H2,1H3,(H2,11,13,14)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Amsterdam Curated by ChEMBL					Assay Description Inhibition of human CYP3A4 expressed in baculovirus infected insect cells using beetle D-luciferin as substrate preincubated for 30 mins followed by ...				J Med Chem 62: 10848-10866 (2019) Article DOI: 10.1021/acs.jmedchem.9b01462 BindingDB Entry DOI: 10.7270/Q2M61PKJ
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50514105 (CHEMBL4441731) Show SMILES O.OC(=O)\C=C\C(O)=O.CCCNC1CN(C1)c1ccnc(N)n1 Show InChI InChI=1S/C10H17N5/c1-2-4-12-8-6-15(7-8)9-3-5-13-10(11)14-9/h3,5,8,12H,2,4,6-7H2,1H3,(H2,11,13,14)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Amsterdam Curated by ChEMBL					Assay Description Inhibition of human CYP2D6 expressed in baculovirus infected insect cells using beetle D-luciferin as substrate preincubated for 30 mins followed by ...				J Med Chem 62: 10848-10866 (2019) Article DOI: 10.1021/acs.jmedchem.9b01462 BindingDB Entry DOI: 10.7270/Q2M61PKJ
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50514097 (CHEMBL4466700) Show SMILES OC(=O)\C=C\C(O)=O.CNC1CN(C1)c1ccnc(N)n1 Show InChI InChI=1S/C8H13N5/c1-10-6-4-13(5-6)7-2-3-11-8(9)12-7/h2-3,6,10H,4-5H2,1H3,(H2,9,11,12)	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	1.30	n/a	n/a	n/a	n/a
Vrije Universiteit Amsterdam Curated by ChEMBL					Assay Description Agonist activity at human H3R expressed on HEK293T cells assessed as inhibition of forskolin-induced CRE-driven luciferase activity co-incubated with...				J Med Chem 62: 10848-10866 (2019) Article DOI: 10.1021/acs.jmedchem.9b01462 BindingDB Entry DOI: 10.7270/Q2M61PKJ
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50514096 (CHEMBL4439165) Show SMILES CCNC1CN(C1)c1cc(nc(N)n1)C(C)C Show InChI InChI=1S/C12H21N5/c1-4-14-9-6-17(7-9)11-5-10(8(2)3)15-12(13)16-11/h5,8-9,14H,4,6-7H2,1-3H3,(H2,13,15,16)	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	158	n/a	n/a	n/a	n/a
Vrije Universiteit Amsterdam Curated by ChEMBL					Assay Description Agonist activity at human H3R expressed on HEK293T cells assessed as inhibition of forskolin-induced CRE-driven luciferase activity co-incubated with...				J Med Chem 62: 10848-10866 (2019) Article DOI: 10.1021/acs.jmedchem.9b01462 BindingDB Entry DOI: 10.7270/Q2M61PKJ
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50514093 (CHEMBL4468827) Show SMILES Cc1cc(nc(N)n1)N1CC(N)C1 Show InChI InChI=1S/C8H13N5/c1-5-2-7(12-8(10)11-5)13-3-6(9)4-13/h2,6H,3-4,9H2,1H3,(H2,10,11,12)	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	16	n/a	n/a	n/a	n/a
Vrije Universiteit Amsterdam Curated by ChEMBL					Assay Description Agonist activity at human H3R expressed on HEK293T cells assessed as inhibition of forskolin-induced CRE-driven luciferase activity co-incubated with...				J Med Chem 62: 10848-10866 (2019) Article DOI: 10.1021/acs.jmedchem.9b01462 BindingDB Entry DOI: 10.7270/Q2M61PKJ
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50514107 (CHEMBL4535316) Show SMILES OC(=O)\C=C\C(O)=O.CCNC1CN(C1)c1ccnc(N)n1 Show InChI InChI=1S/C9H15N5/c1-2-11-7-5-14(6-7)8-3-4-12-9(10)13-8/h3-4,7,11H,2,5-6H2,1H3,(H2,10,12,13)	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	0.631	n/a	n/a	n/a	n/a
Vrije Universiteit Amsterdam Curated by ChEMBL					Assay Description Agonist activity at human H3R expressed on HEK293T cells assessed as inhibition of forskolin-induced CRE-driven luciferase activity co-incubated with...				J Med Chem 62: 10848-10866 (2019) Article DOI: 10.1021/acs.jmedchem.9b01462 BindingDB Entry DOI: 10.7270/Q2M61PKJ
					More data for this Ligand-Target Pair
Histamine H3 receptor (Mus musculus)	BDBM50514105 (CHEMBL4441731) Show SMILES O.OC(=O)\C=C\C(O)=O.CCCNC1CN(C1)c1ccnc(N)n1 Show InChI InChI=1S/C10H17N5/c1-2-4-12-8-6-15(7-8)9-3-5-13-10(11)14-9/h3,5,8,12H,2,4,6-7H2,1H3,(H2,11,13,14)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.100	n/a	n/a	n/a	n/a
Vrije Universiteit Amsterdam Curated by ChEMBL					Assay Description Agonist activity at mouse H3R expressed on HEK293T cells assessed as inhibition of forskolin-induced CRE-driven luciferase activity co-incubated with...				J Med Chem 62: 10848-10866 (2019) Article DOI: 10.1021/acs.jmedchem.9b01462 BindingDB Entry DOI: 10.7270/Q2M61PKJ
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50514102 (CHEMBL4459469) Show SMILES OC(=O)\C=C\C(O)=O.NC1CN(C1)c1ccnc(N)n1 Show InChI InChI=1S/C7H11N5/c8-5-3-12(4-5)6-1-2-10-7(9)11-6/h1-2,5H,3-4,8H2,(H2,9,10,11)	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	5	n/a	n/a	n/a	n/a
Vrije Universiteit Amsterdam Curated by ChEMBL					Assay Description Agonist activity at human H3R expressed on HEK293T cells assessed as inhibition of forskolin-induced CRE-driven luciferase activity co-incubated with...				J Med Chem 62: 10848-10866 (2019) Article DOI: 10.1021/acs.jmedchem.9b01462 BindingDB Entry DOI: 10.7270/Q2M61PKJ
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50514098 (CHEMBL4476584) Show SMILES OC(=O)\C=C\C(O)=O.CC(C)NC1CN(C1)c1ccnc(N)n1 Show InChI InChI=1S/C10H17N5/c1-7(2)13-8-5-15(6-8)9-3-4-12-10(11)14-9/h3-4,7-8,13H,5-6H2,1-2H3,(H2,11,12,14)	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	3.20	n/a	n/a	n/a	n/a
Vrije Universiteit Amsterdam Curated by ChEMBL					Assay Description Agonist activity at human H3R expressed on HEK293T cells assessed as inhibition of forskolin-induced CRE-driven luciferase activity co-incubated with...				J Med Chem 62: 10848-10866 (2019) Article DOI: 10.1021/acs.jmedchem.9b01462 BindingDB Entry DOI: 10.7270/Q2M61PKJ
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50514108 (CHEMBL4458116) Show SMILES [H][C@]12C[C@@]3([H])C[C@@H](C[C@H](C)N3C[C@@]1(C[C@]1(C(=O)Nc3c1cccc3C(=O)[C@H]1OC1(C)C)[C@]2(C)C=O)NC)OC(=O)CCCC |r| Show InChI InChI=1S/C33H45N3O6/c1-7-8-12-25(38)41-21-13-19(2)36-17-32(34-6)16-33(31(5,18-37)24(32)15-20(36)14-21)23-11-9-10-22(26(23)35-29(33)40)27(39)28-30(3,4)42-28/h9-11,18-21,24,28,34H,7-8,12-17H2,1-6H3,(H,35,40)/t19-,20+,21+,24+,28+,31+,32+,33-/m0/s1	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	126	n/a	n/a	n/a	n/a
Vrije Universiteit Amsterdam Curated by ChEMBL					Assay Description Agonist activity at recombinant human H3R expressed on cells incubated for 60 mins by [35S]GTPgammaS binding assay				J Med Chem 62: 10848-10866 (2019) Article DOI: 10.1021/acs.jmedchem.9b01462 BindingDB Entry DOI: 10.7270/Q2M61PKJ
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50514099 (CHEMBL4455352) Show SMILES OC(=O)\C=C\C(O)=O.CN(C)C1CN(C1)c1ccnc(N)n1 Show InChI InChI=1S/C9H15N5/c1-13(2)7-5-14(6-7)8-3-4-11-9(10)12-8/h3-4,7H,5-6H2,1-2H3,(H2,10,11,12)	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	4	n/a	n/a	n/a	n/a
Vrije Universiteit Amsterdam Curated by ChEMBL					Assay Description Agonist activity at human H3R expressed on HEK293T cells assessed as inhibition of forskolin-induced CRE-driven luciferase activity co-incubated with...				J Med Chem 62: 10848-10866 (2019) Article DOI: 10.1021/acs.jmedchem.9b01462 BindingDB Entry DOI: 10.7270/Q2M61PKJ
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50514092 (CHEMBL4468740) Show SMILES Cl.Cl.CNC1CN(C1)c1cc(C)nc(N)n1 Show InChI InChI=1S/C9H15N5/c1-6-3-8(13-9(10)12-6)14-4-7(5-14)11-2/h3,7,11H,4-5H2,1-2H3,(H2,10,12,13)	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	10	n/a	n/a	n/a	n/a
Vrije Universiteit Amsterdam Curated by ChEMBL					Assay Description Agonist activity at human H3R expressed on HEK293T cells assessed as inhibition of forskolin-induced CRE-driven luciferase activity co-incubated with...				J Med Chem 62: 10848-10866 (2019) Article DOI: 10.1021/acs.jmedchem.9b01462 BindingDB Entry DOI: 10.7270/Q2M61PKJ
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50514101 (CHEMBL4461302) Show SMILES CCc1cc(nc(N)n1)N1CC(C1)N(C)C Show InChI InChI=1S/C11H19N5/c1-4-8-5-10(14-11(12)13-8)16-6-9(7-16)15(2)3/h5,9H,4,6-7H2,1-3H3,(H2,12,13,14)	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	63	n/a	n/a	n/a	n/a
Vrije Universiteit Amsterdam Curated by ChEMBL					Assay Description Agonist activity at human H3R expressed on HEK293T cells assessed as inhibition of forskolin-induced CRE-driven luciferase activity co-incubated with...				J Med Chem 62: 10848-10866 (2019) Article DOI: 10.1021/acs.jmedchem.9b01462 BindingDB Entry DOI: 10.7270/Q2M61PKJ
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50514094 (CHEMBL4535363) Show SMILES CCc1cc(nc(N)n1)N1CC(C1)NC Show InChI InChI=1S/C10H17N5/c1-3-7-4-9(14-10(11)13-7)15-5-8(6-15)12-2/h4,8,12H,3,5-6H2,1-2H3,(H2,11,13,14)	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	25	n/a	n/a	n/a	n/a
Vrije Universiteit Amsterdam Curated by ChEMBL					Assay Description Agonist activity at human H3R expressed on HEK293T cells assessed as inhibition of forskolin-induced CRE-driven luciferase activity co-incubated with...				J Med Chem 62: 10848-10866 (2019) Article DOI: 10.1021/acs.jmedchem.9b01462 BindingDB Entry DOI: 10.7270/Q2M61PKJ
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50514106 (CHEMBL4570258) Show SMILES CCNC1CN(C1)c1cc(CC)nc(N)n1 Show InChI InChI=1S/C11H19N5/c1-3-8-5-10(15-11(12)14-8)16-6-9(7-16)13-4-2/h5,9,13H,3-4,6-7H2,1-2H3,(H2,12,14,15)	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	32	n/a	n/a	n/a	n/a
Vrije Universiteit Amsterdam Curated by ChEMBL					Assay Description Agonist activity at human H3R expressed on HEK293T cells assessed as inhibition of forskolin-induced CRE-driven luciferase activity co-incubated with...				J Med Chem 62: 10848-10866 (2019) Article DOI: 10.1021/acs.jmedchem.9b01462 BindingDB Entry DOI: 10.7270/Q2M61PKJ
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50514111 (CHEMBL4516714) Show SMILES OC(=O)\C=C\C(O)=O.CCC(C)NC1CN(C1)c1ccnc(N)n1 Show InChI InChI=1S/C11H19N5.C4H4O4/c1-3-8(2)14-9-6-16(7-9)10-4-5-13-11(12)15-10;5-3(6)1-2-4(7)8/h4-5,8-9,14H,3,6-7H2,1-2H3,(H2,12,13,15);1-2H,(H,5,6)(H,7,8)/b;2-1+	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	2	n/a	n/a	n/a	n/a
Vrije Universiteit Amsterdam Curated by ChEMBL					Assay Description Agonist activity at human H3R expressed on HEK293T cells assessed as inhibition of forskolin-induced CRE-driven luciferase activity co-incubated with...				J Med Chem 62: 10848-10866 (2019) Article DOI: 10.1021/acs.jmedchem.9b01462 BindingDB Entry DOI: 10.7270/Q2M61PKJ
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50514095 (CHEMBL4459723) Show SMILES CCc1cc(nc(N)n1)N1CC(N)C1 Show InChI InChI=1S/C9H15N5/c1-2-7-3-8(13-9(11)12-7)14-4-6(10)5-14/h3,6H,2,4-5,10H2,1H3,(H2,11,12,13)	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	32	n/a	n/a	n/a	n/a
Vrije Universiteit Amsterdam Curated by ChEMBL					Assay Description Agonist activity at human H3R expressed on HEK293T cells assessed as inhibition of forskolin-induced CRE-driven luciferase activity co-incubated with...				J Med Chem 62: 10848-10866 (2019) Article DOI: 10.1021/acs.jmedchem.9b01462 BindingDB Entry DOI: 10.7270/Q2M61PKJ
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50514109 (CHEMBL4519616) Show SMILES CC(C)c1cc(nc(N)n1)N1CC(C1)N(C)C Show InChI InChI=1S/C12H21N5/c1-8(2)10-5-11(15-12(13)14-10)17-6-9(7-17)16(3)4/h5,8-9H,6-7H2,1-4H3,(H2,13,14,15)	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	100	n/a	n/a	n/a	n/a
Vrije Universiteit Amsterdam Curated by ChEMBL					Assay Description Agonist activity at human H3R expressed on HEK293T cells assessed as inhibition of forskolin-induced CRE-driven luciferase activity co-incubated with...				J Med Chem 62: 10848-10866 (2019) Article DOI: 10.1021/acs.jmedchem.9b01462 BindingDB Entry DOI: 10.7270/Q2M61PKJ
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50514110 (CHEMBL4469111) Show SMILES CCNC1CN(C1)c1cc(C)nc(N)n1 Show InChI InChI=1S/C10H17N5/c1-3-12-8-5-15(6-8)9-4-7(2)13-10(11)14-9/h4,8,12H,3,5-6H2,1-2H3,(H2,11,13,14)	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	13	n/a	n/a	n/a	n/a
Vrije Universiteit Amsterdam Curated by ChEMBL					Assay Description Agonist activity at human H3R expressed on HEK293T cells assessed as inhibition of forskolin-induced CRE-driven luciferase activity co-incubated with...				J Med Chem 62: 10848-10866 (2019) Article DOI: 10.1021/acs.jmedchem.9b01462 BindingDB Entry DOI: 10.7270/Q2M61PKJ
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50121205 (CHEBI:18295 | Histamine) Show SMILES NCCc1c[nH]cn1 Show InChI InChI=1S/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	n/a	n/a	2.5	n/a	n/a	n/a	n/a
Vrije Universiteit Amsterdam Curated by ChEMBL					Assay Description Agonist activity at human H3R expressed on HEK293T cells assessed as inhibition of forskolin-induced CRE-driven luciferase activity co-incubated with...				J Med Chem 62: 10848-10866 (2019) Article DOI: 10.1021/acs.jmedchem.9b01462 BindingDB Entry DOI: 10.7270/Q2M61PKJ
					More data for this Ligand-Target Pair

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