Compile Data Set for Download or QSAR

Found 59 hits with Last Name = 'brown' and Initial = 'cd'   

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 H4 receptor (Homo sapiens (Human))	BDBM22566 (5-chloro-2-[(4-methylpiperazin-1-yl)carbonyl]-1H-i...) Show SMILES CN1CCN(CC1)C(=O)c1cc2cc(Cl)ccc2[nH]1 Show InChI InChI=1S/C14H16ClN3O/c1-17-4-6-18(7-5-17)14(19)13-9-10-8-11(15)2-3-12(10)16-13/h2-3,8-9,16H,4-7H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	6.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity at human histamine H4 receptor by functional assay				Bioorg Med Chem Lett 21: 6591-5 (2011) Article DOI: 10.1016/j.bmcl.2011.07.114 BindingDB Entry DOI: 10.7270/Q2DF6RNQ
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM22566 (5-chloro-2-[(4-methylpiperazin-1-yl)carbonyl]-1H-i...) Show SMILES CN1CCN(CC1)C(=O)c1cc2cc(Cl)ccc2[nH]1 Show InChI InChI=1S/C14H16ClN3O/c1-17-4-6-18(7-5-17)14(19)13-9-10-8-11(15)2-3-12(10)16-13/h2-3,8-9,16H,4-7H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]histamine from human histamine H4 receptor expressed in CHO cells after 90 mins by scintillation counting technique				Bioorg Med Chem Lett 21: 6591-5 (2011) Article DOI: 10.1016/j.bmcl.2011.07.114 BindingDB Entry DOI: 10.7270/Q2DF6RNQ
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM50357272 (CHEMBL1916498) Show SMILES CN1CCN(CC1)c1cc(NCC(C)(C)C)ncn1 Show InChI InChI=1S/C14H25N5/c1-14(2,3)10-15-12-9-13(17-11-16-12)19-7-5-18(4)6-8-19/h9,11H,5-8,10H2,1-4H3,(H,15,16,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	23.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]histamine from human histamine H4 receptor expressed in CHO cells after 90 mins by scintillation counting technique				Bioorg Med Chem Lett 21: 6591-5 (2011) Article DOI: 10.1016/j.bmcl.2011.07.114 BindingDB Entry DOI: 10.7270/Q2DF6RNQ
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM50357277 (CHEMBL1916505) Show SMILES CN(C)CCNc1cc(NCC2CC2)ncn1 Show InChI InChI=1S/C12H21N5/c1-17(2)6-5-13-11-7-12(16-9-15-11)14-8-10-3-4-10/h7,9-10H,3-6,8H2,1-2H3,(H2,13,14,15,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	32.4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]histamine from human histamine H4 receptor expressed in CHO cells after 90 mins by scintillation counting technique				Bioorg Med Chem Lett 21: 6591-5 (2011) Article DOI: 10.1016/j.bmcl.2011.07.114 BindingDB Entry DOI: 10.7270/Q2DF6RNQ
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM50356879 (CHEMBL1915535) Show SMILES CN1CCN(CC1)c1cc(NCCC(C)(C)C)ncn1 Show InChI InChI=1S/C15H27N5/c1-15(2,3)5-6-16-13-11-14(18-12-17-13)20-9-7-19(4)8-10-20/h11-12H,5-10H2,1-4H3,(H,16,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity at human histamine H4 receptor by functional assay				Bioorg Med Chem Lett 21: 6591-5 (2011) Article DOI: 10.1016/j.bmcl.2011.07.114 BindingDB Entry DOI: 10.7270/Q2DF6RNQ
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM50179335 ((5-Chloro-1H-benzoimidazol-2-yl)-(4-methyl-piperaz...) Show SMILES CN1CCN(CC1)C(=O)c1nc2ccc(Cl)cc2[nH]1 Show InChI InChI=1S/C13H15ClN4O/c1-17-4-6-18(7-5-17)13(19)12-15-10-3-2-9(14)8-11(10)16-12/h2-3,8H,4-7H2,1H3,(H,15,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	39.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity at human histamine H4 receptor by functional assay				Bioorg Med Chem Lett 21: 6591-5 (2011) Article DOI: 10.1016/j.bmcl.2011.07.114 BindingDB Entry DOI: 10.7270/Q2DF6RNQ
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM50179335 ((5-Chloro-1H-benzoimidazol-2-yl)-(4-methyl-piperaz...) Show SMILES CN1CCN(CC1)C(=O)c1nc2ccc(Cl)cc2[nH]1 Show InChI InChI=1S/C13H15ClN4O/c1-17-4-6-18(7-5-17)13(19)12-15-10-3-2-9(14)8-11(10)16-12/h2-3,8H,4-7H2,1H3,(H,15,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	47.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]histamine from human histamine H4 receptor expressed in CHO cells after 90 mins by scintillation counting technique				Bioorg Med Chem Lett 21: 6591-5 (2011) Article DOI: 10.1016/j.bmcl.2011.07.114 BindingDB Entry DOI: 10.7270/Q2DF6RNQ
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50357273 (CHEMBL1916499) Show SMILES CN(C)[C@@H]1CCN(C1)c1cc(NCC(C)(C)C)ncn1 |r| Show InChI InChI=1S/C15H27N5/c1-15(2,3)10-16-13-8-14(18-11-17-13)20-7-6-12(9-20)19(4)5/h8,11-12H,6-7,9-10H2,1-5H3,(H,16,17,18)/t12-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	54	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity at human histamine H3 receptor				Bioorg Med Chem Lett 21: 6591-5 (2011) Article DOI: 10.1016/j.bmcl.2011.07.114 BindingDB Entry DOI: 10.7270/Q2DF6RNQ
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM50357273 (CHEMBL1916499) Show SMILES CN(C)[C@@H]1CCN(C1)c1cc(NCC(C)(C)C)ncn1 |r| Show InChI InChI=1S/C15H27N5/c1-15(2,3)10-16-13-8-14(18-11-17-13)20-7-6-12(9-20)19(4)5/h8,11-12H,6-7,9-10H2,1-5H3,(H,16,17,18)/t12-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	58.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]histamine from human histamine H4 receptor expressed in CHO cells after 90 mins by scintillation counting technique				Bioorg Med Chem Lett 21: 6591-5 (2011) Article DOI: 10.1016/j.bmcl.2011.07.114 BindingDB Entry DOI: 10.7270/Q2DF6RNQ
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM50356879 (CHEMBL1915535) Show SMILES CN1CCN(CC1)c1cc(NCCC(C)(C)C)ncn1 Show InChI InChI=1S/C15H27N5/c1-15(2,3)5-6-16-13-11-14(18-12-17-13)20-9-7-19(4)8-10-20/h11-12H,5-10H2,1-4H3,(H,16,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	82	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]histamine from human histamine H4 receptor expressed in CHO cells after 90 mins by scintillation counting technique				Bioorg Med Chem Lett 21: 6591-5 (2011) Article DOI: 10.1016/j.bmcl.2011.07.114 BindingDB Entry DOI: 10.7270/Q2DF6RNQ
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM50357274 (CHEMBL1916500) Show SMILES CC(C)(C)CCNc1cc(ncn1)N1CCNCC1 Show InChI InChI=1S/C14H25N5/c1-14(2,3)4-5-16-12-10-13(18-11-17-12)19-8-6-15-7-9-19/h10-11,15H,4-9H2,1-3H3,(H,16,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	201	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]histamine from human histamine H4 receptor expressed in CHO cells after 90 mins by scintillation counting technique				Bioorg Med Chem Lett 21: 6591-5 (2011) Article DOI: 10.1016/j.bmcl.2011.07.114 BindingDB Entry DOI: 10.7270/Q2DF6RNQ
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM50304507 (CHEMBL596562 | N-Benzyl-6-(4-methylpiperazin-1-yl)...) Show SMILES CN1CCN(CC1)c1cc(NCc2ccccc2)ncn1 Show InChI InChI=1S/C16H21N5/c1-20-7-9-21(10-8-20)16-11-15(18-13-19-16)17-12-14-5-3-2-4-6-14/h2-6,11,13H,7-10,12H2,1H3,(H,17,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	207	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]histamine from human histamine H4 receptor expressed in CHO cells after 90 mins by scintillation counting technique				Bioorg Med Chem Lett 21: 6591-5 (2011) Article DOI: 10.1016/j.bmcl.2011.07.114 BindingDB Entry DOI: 10.7270/Q2DF6RNQ
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM50356890 (CHEMBL1915533) Show SMILES CN1CCN(CC1)c1cc(NC2Cc3ccccc3C2)ncn1 Show InChI InChI=1S/C18H23N5/c1-22-6-8-23(9-7-22)18-12-17(19-13-20-18)21-16-10-14-4-2-3-5-15(14)11-16/h2-5,12-13,16H,6-11H2,1H3,(H,19,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	212	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]histamine from human histamine H4 receptor expressed in CHO cells after 90 mins by scintillation counting technique				Bioorg Med Chem Lett 21: 6591-5 (2011) Article DOI: 10.1016/j.bmcl.2011.07.114 BindingDB Entry DOI: 10.7270/Q2DF6RNQ
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM50357275 (CHEMBL1916501) Show SMILES CN1CCCN(CC1)c1cc(NCC(C)(C)C)ncn1 Show InChI InChI=1S/C15H27N5/c1-15(2,3)11-16-13-10-14(18-12-17-13)20-7-5-6-19(4)8-9-20/h10,12H,5-9,11H2,1-4H3,(H,16,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	235	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]histamine from human histamine H4 receptor expressed in CHO cells after 90 mins by scintillation counting technique				Bioorg Med Chem Lett 21: 6591-5 (2011) Article DOI: 10.1016/j.bmcl.2011.07.114 BindingDB Entry DOI: 10.7270/Q2DF6RNQ
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM50356878 (CHEMBL1915534) Show SMILES CC(C)(C)CCNc1cc(N[C@H]2CCNC2)ncn1 |r| Show InChI InChI=1S/C14H25N5/c1-14(2,3)5-7-16-12-8-13(18-10-17-12)19-11-4-6-15-9-11/h8,10-11,15H,4-7,9H2,1-3H3,(H2,16,17,18,19)/t11-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	502	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]histamine from human histamine H4 receptor expressed in CHO cells after 90 mins by scintillation counting technique				Bioorg Med Chem Lett 21: 6591-5 (2011) Article DOI: 10.1016/j.bmcl.2011.07.114 BindingDB Entry DOI: 10.7270/Q2DF6RNQ
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM50356878 (CHEMBL1915534) Show SMILES CC(C)(C)CCNc1cc(N[C@H]2CCNC2)ncn1 |r| Show InChI InChI=1S/C14H25N5/c1-14(2,3)5-7-16-12-8-13(18-10-17-12)19-11-4-6-15-9-11/h8,10-11,15H,4-7,9H2,1-3H3,(H2,16,17,18,19)/t11-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	572	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity at human histamine H4 receptor by functional assay				Bioorg Med Chem Lett 21: 6591-5 (2011) Article DOI: 10.1016/j.bmcl.2011.07.114 BindingDB Entry DOI: 10.7270/Q2DF6RNQ
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM50357271 (CHEMBL1916497) Show SMILES CN1CC[C@@H](C1)Nc1cc(NCCC(C)(C)C)ncn1 |r| Show InChI InChI=1S/C15H27N5/c1-15(2,3)6-7-16-13-9-14(18-11-17-13)19-12-5-8-20(4)10-12/h9,11-12H,5-8,10H2,1-4H3,(H2,16,17,18,19)/t12-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	593	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]histamine from human histamine H4 receptor expressed in CHO cells after 90 mins by scintillation counting technique				Bioorg Med Chem Lett 21: 6591-5 (2011) Article DOI: 10.1016/j.bmcl.2011.07.114 BindingDB Entry DOI: 10.7270/Q2DF6RNQ
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM50357276 (CHEMBL1916502) Show SMILES CC(C)(C)CCNc1cc(ncn1)N1CCN(CC1)C1CCCCC1 Show InChI InChI=1S/C20H35N5/c1-20(2,3)9-10-21-18-15-19(23-16-22-18)25-13-11-24(12-14-25)17-7-5-4-6-8-17/h15-17H,4-14H2,1-3H3,(H,21,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	601	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]histamine from human histamine H4 receptor expressed in CHO cells after 90 mins by scintillation counting technique				Bioorg Med Chem Lett 21: 6591-5 (2011) Article DOI: 10.1016/j.bmcl.2011.07.114 BindingDB Entry DOI: 10.7270/Q2DF6RNQ
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50356879 (CHEMBL1915535) Show SMILES CN1CCN(CC1)c1cc(NCCC(C)(C)C)ncn1 Show InChI InChI=1S/C15H27N5/c1-15(2,3)5-6-16-13-11-14(18-12-17-13)20-9-7-19(4)8-10-20/h11-12H,5-10H2,1-4H3,(H,16,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	646	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity at histamine H3 receptor				Bioorg Med Chem Lett 21: 6591-5 (2011) Article DOI: 10.1016/j.bmcl.2011.07.114 BindingDB Entry DOI: 10.7270/Q2DF6RNQ
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50357272 (CHEMBL1916498) Show SMILES CN1CCN(CC1)c1cc(NCC(C)(C)C)ncn1 Show InChI InChI=1S/C14H25N5/c1-14(2,3)10-15-12-9-13(17-11-16-12)19-7-5-18(4)6-8-19/h9,11H,5-8,10H2,1-4H3,(H,15,16,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	825	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity at human histamine H3 receptor				Bioorg Med Chem Lett 21: 6591-5 (2011) Article DOI: 10.1016/j.bmcl.2011.07.114 BindingDB Entry DOI: 10.7270/Q2DF6RNQ
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM50357278 (CHEMBL1916503) Show SMILES CN1CCN(CC1)c1cc(ncn1)N1[C@H]2C[C@H]1CCC2 |r| Show InChI InChI=1S/C15H23N5/c1-18-5-7-19(8-6-18)14-10-15(17-11-16-14)20-12-3-2-4-13(20)9-12/h10-13H,2-9H2,1H3/t12-,13-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	860	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]histamine from human histamine H4 receptor expressed in CHO cells after 90 mins by scintillation counting technique				Bioorg Med Chem Lett 21: 6591-5 (2011) Article DOI: 10.1016/j.bmcl.2011.07.114 BindingDB Entry DOI: 10.7270/Q2DF6RNQ
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM50357279 (CHEMBL1916504) Show SMILES CN1CC2CN(CC2C1)c1nc(C)ccc1C#N Show InChI InChI=1S/C14H18N4/c1-10-3-4-11(5-15)14(16-10)18-8-12-6-17(2)7-13(12)9-18/h3-4,12-13H,6-9H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	930	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]histamine from human histamine H4 receptor expressed in CHO cells after 90 mins by scintillation counting technique				Bioorg Med Chem Lett 21: 6591-5 (2011) Article DOI: 10.1016/j.bmcl.2011.07.114 BindingDB Entry DOI: 10.7270/Q2DF6RNQ
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM50357268 (CHEMBL1916494) Show SMILES CC(C)(C)CCNc1cc(N[C@@H]2CCNC2)ncn1 |r| Show InChI InChI=1S/C14H25N5/c1-14(2,3)5-7-16-12-8-13(18-10-17-12)19-11-4-6-15-9-11/h8,10-11,15H,4-7,9H2,1-3H3,(H2,16,17,18,19)/t11-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	939	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]histamine from human histamine H4 receptor expressed in CHO cells after 90 mins by scintillation counting technique				Bioorg Med Chem Lett 21: 6591-5 (2011) Article DOI: 10.1016/j.bmcl.2011.07.114 BindingDB Entry DOI: 10.7270/Q2DF6RNQ
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM50060682 (2-(4-Methyl-piperazin-1-yl)-quinoxaline | CHEMBL12...) Show SMILES CN1CCN(CC1)c1cnc2ccccc2n1 Show InChI InChI=1S/C13H16N4/c1-16-6-8-17(9-7-16)13-10-14-11-4-2-3-5-12(11)15-13/h2-5,10H,6-9H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.06E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]histamine from human histamine H4 receptor expressed in CHO cells after 90 mins by scintillation counting technique				Bioorg Med Chem Lett 21: 6591-5 (2011) Article DOI: 10.1016/j.bmcl.2011.07.114 BindingDB Entry DOI: 10.7270/Q2DF6RNQ
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM50357267 (CHEMBL1916493) Show SMILES COc1ccccc1Cn1ccc(NCCc2cnc[nH]2)nc1=O Show InChI InChI=1S/C17H19N5O2/c1-24-15-5-3-2-4-13(15)11-22-9-7-16(21-17(22)23)19-8-6-14-10-18-12-20-14/h2-5,7,9-10,12H,6,8,11H2,1H3,(H,18,20)(H,19,21,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]histamine from human histamine H4 receptor expressed in CHO cells after 90 mins by scintillation counting technique				Bioorg Med Chem Lett 21: 6591-5 (2011) Article DOI: 10.1016/j.bmcl.2011.07.114 BindingDB Entry DOI: 10.7270/Q2DF6RNQ
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM50357266 (CHEMBL1916492) Show SMILES COc1cccc(c1)C(O)(COc1ccccc1C)CN1CCN(C)CC1 Show InChI InChI=1S/C22H30N2O3/c1-18-7-4-5-10-21(18)27-17-22(25,16-24-13-11-23(2)12-14-24)19-8-6-9-20(15-19)26-3/h4-10,15,25H,11-14,16-17H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	>2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity at human histamine H4 receptor by functional assay				Bioorg Med Chem Lett 21: 6591-5 (2011) Article DOI: 10.1016/j.bmcl.2011.07.114 BindingDB Entry DOI: 10.7270/Q2DF6RNQ
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM50357267 (CHEMBL1916493) Show SMILES COc1ccccc1Cn1ccc(NCCc2cnc[nH]2)nc1=O Show InChI InChI=1S/C17H19N5O2/c1-24-15-5-3-2-4-13(15)11-22-9-7-16(21-17(22)23)19-8-6-14-10-18-12-20-14/h2-5,7,9-10,12H,6,8,11H2,1H3,(H,18,20)(H,19,21,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	>2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity at human histamine H4 receptor by functional assay				Bioorg Med Chem Lett 21: 6591-5 (2011) Article DOI: 10.1016/j.bmcl.2011.07.114 BindingDB Entry DOI: 10.7270/Q2DF6RNQ
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM50356889 (CHEMBL1915532) Show SMILES CC(C)(C)CCNc1cc(NC2CCN(Cc3ccc(CO)o3)C2)ncn1 Show InChI InChI=1S/C20H31N5O2/c1-20(2,3)7-8-21-18-10-19(23-14-22-18)24-15-6-9-25(11-15)12-16-4-5-17(13-26)27-16/h4-5,10,14-15,26H,6-9,11-13H2,1-3H3,(H2,21,22,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.11E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]histamine from human histamine H4 receptor expressed in CHO cells after 90 mins by scintillation counting technique				Bioorg Med Chem Lett 21: 6591-5 (2011) Article DOI: 10.1016/j.bmcl.2011.07.114 BindingDB Entry DOI: 10.7270/Q2DF6RNQ
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50357266 (CHEMBL1916492) Show SMILES COc1cccc(c1)C(O)(COc1ccccc1C)CN1CCN(C)CC1 Show InChI InChI=1S/C22H30N2O3/c1-18-7-4-5-10-21(18)27-17-22(25,16-24-13-11-23(2)12-14-24)19-8-6-9-20(15-19)26-3/h4-10,15,25H,11-14,16-17H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity at histamine H3 receptor				Bioorg Med Chem Lett 21: 6591-5 (2011) Article DOI: 10.1016/j.bmcl.2011.07.114 BindingDB Entry DOI: 10.7270/Q2DF6RNQ
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM50357266 (CHEMBL1916492) Show SMILES COc1cccc(c1)C(O)(COc1ccccc1C)CN1CCN(C)CC1 Show InChI InChI=1S/C22H30N2O3/c1-18-7-4-5-10-21(18)27-17-22(25,16-24-13-11-23(2)12-14-24)19-8-6-9-20(15-19)26-3/h4-10,15,25H,11-14,16-17H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	3.24E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]histamine from human histamine H4 receptor expressed in CHO cells after 90 mins by scintillation counting technique				Bioorg Med Chem Lett 21: 6591-5 (2011) Article DOI: 10.1016/j.bmcl.2011.07.114 BindingDB Entry DOI: 10.7270/Q2DF6RNQ
					More data for this Ligand-Target Pair
Histamine H2 receptor (Homo sapiens (Human))	BDBM50356879 (CHEMBL1915535) Show SMILES CN1CCN(CC1)c1cc(NCCC(C)(C)C)ncn1 Show InChI InChI=1S/C15H27N5/c1-15(2,3)5-6-16-13-11-14(18-12-17-13)20-9-7-19(4)8-10-20/h11-12H,5-10H2,1-4H3,(H,16,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.56E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity at histamine H2 receptor				Bioorg Med Chem Lett 21: 6591-5 (2011) Article DOI: 10.1016/j.bmcl.2011.07.114 BindingDB Entry DOI: 10.7270/Q2DF6RNQ
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50356878 (CHEMBL1915534) Show SMILES CC(C)(C)CCNc1cc(N[C@H]2CCNC2)ncn1 |r| Show InChI InChI=1S/C14H25N5/c1-14(2,3)5-7-16-12-8-13(18-10-17-12)19-11-4-6-15-9-11/h8,10-11,15H,4-7,9H2,1-3H3,(H2,16,17,18,19)/t11-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	8.22E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity at histamine H3 receptor				Bioorg Med Chem Lett 21: 6591-5 (2011) Article DOI: 10.1016/j.bmcl.2011.07.114 BindingDB Entry DOI: 10.7270/Q2DF6RNQ
					More data for this Ligand-Target Pair
Histamine H2 receptor (Homo sapiens (Human))	BDBM50356878 (CHEMBL1915534) Show SMILES CC(C)(C)CCNc1cc(N[C@H]2CCNC2)ncn1 |r| Show InChI InChI=1S/C14H25N5/c1-14(2,3)5-7-16-12-8-13(18-10-17-12)19-11-4-6-15-9-11/h8,10-11,15H,4-7,9H2,1-3H3,(H2,16,17,18,19)/t11-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	8.82E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity at histamine H2 receptor				Bioorg Med Chem Lett 21: 6591-5 (2011) Article DOI: 10.1016/j.bmcl.2011.07.114 BindingDB Entry DOI: 10.7270/Q2DF6RNQ
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50356879 (CHEMBL1915535) Show SMILES CN1CCN(CC1)c1cc(NCCC(C)(C)C)ncn1 Show InChI InChI=1S/C15H27N5/c1-15(2,3)5-6-16-13-11-14(18-12-17-13)20-9-7-19(4)8-10-20/h11-12H,5-10H2,1-4H3,(H,16,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity at histamine H1 receptor				Bioorg Med Chem Lett 21: 6591-5 (2011) Article DOI: 10.1016/j.bmcl.2011.07.114 BindingDB Entry DOI: 10.7270/Q2DF6RNQ
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50357268 (CHEMBL1916494) Show SMILES CC(C)(C)CCNc1cc(N[C@@H]2CCNC2)ncn1 |r| Show InChI InChI=1S/C14H25N5/c1-14(2,3)5-7-16-12-8-13(18-10-17-12)19-11-4-6-15-9-11/h8,10-11,15H,4-7,9H2,1-3H3,(H2,16,17,18,19)/t11-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.36E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity at histamine H3 receptor				Bioorg Med Chem Lett 21: 6591-5 (2011) Article DOI: 10.1016/j.bmcl.2011.07.114 BindingDB Entry DOI: 10.7270/Q2DF6RNQ
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM50357269 (CHEMBL1916495) Show SMILES COCc1ccc(CN2CC[C@@H](C2)Nc2cc(NCCC(C)(C)C)ncn2)o1 |r| Show InChI InChI=1S/C21H33N5O2/c1-21(2,3)8-9-22-19-11-20(24-15-23-19)25-16-7-10-26(12-16)13-17-5-6-18(28-17)14-27-4/h5-6,11,15-16H,7-10,12-14H2,1-4H3,(H2,22,23,24,25)/t16-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]histamine from human histamine H4 receptor expressed in CHO cells after 90 mins by scintillation counting technique				Bioorg Med Chem Lett 21: 6591-5 (2011) Article DOI: 10.1016/j.bmcl.2011.07.114 BindingDB Entry DOI: 10.7270/Q2DF6RNQ
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM50357270 (CHEMBL1916496) Show SMILES CC(C)(C)CCNc1cc(N[C@H]2CCN(Cc3cccc(F)c3O)C2)ncn1 |r| Show InChI InChI=1S/C21H30FN5O/c1-21(2,3)8-9-23-18-11-19(25-14-24-18)26-16-7-10-27(13-16)12-15-5-4-6-17(22)20(15)28/h4-6,11,14,16,28H,7-10,12-13H2,1-3H3,(H2,23,24,25,26)/t16-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]histamine from human histamine H4 receptor expressed in CHO cells after 90 mins by scintillation counting technique				Bioorg Med Chem Lett 21: 6591-5 (2011) Article DOI: 10.1016/j.bmcl.2011.07.114 BindingDB Entry DOI: 10.7270/Q2DF6RNQ
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM50357265 (CHEMBL1916491) Show SMILES CN1CCN(CC1)c1cc(ncn1)C(=O)NCc1cccc(c1)C(F)(F)F Show InChI InChI=1S/C18H20F3N5O/c1-25-5-7-26(8-6-25)16-10-15(23-12-24-16)17(27)22-11-13-3-2-4-14(9-13)18(19,20)21/h2-4,9-10,12H,5-8,11H2,1H3,(H,22,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	3.49E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]histamine from human histamine H4 receptor expressed in CHO cells after 90 mins by scintillation counting technique				Bioorg Med Chem Lett 21: 6591-5 (2011) Article DOI: 10.1016/j.bmcl.2011.07.114 BindingDB Entry DOI: 10.7270/Q2DF6RNQ
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50356878 (CHEMBL1915534) Show SMILES CC(C)(C)CCNc1cc(N[C@H]2CCNC2)ncn1 |r| Show InChI InChI=1S/C14H25N5/c1-14(2,3)5-7-16-12-8-13(18-10-17-12)19-11-4-6-15-9-11/h8,10-11,15H,4-7,9H2,1-3H3,(H2,16,17,18,19)/t11-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity at histamine H1 receptor				Bioorg Med Chem Lett 21: 6591-5 (2011) Article DOI: 10.1016/j.bmcl.2011.07.114 BindingDB Entry DOI: 10.7270/Q2DF6RNQ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50005566 (CHEMBL139018 | CHEMBL3234588) Show SMILES O\N=C\c1nc(CCCCNc2c3CCCCc3nc3ccccc23)ccc1O Show InChI InChI=1S/C23H26N4O2/c28-22-13-12-16(26-21(22)15-25-29)7-5-6-14-24-23-17-8-1-3-10-19(17)27-20-11-4-2-9-18(20)23/h1,3,8,10,12-13,15,28-29H,2,4-7,9,11,14H2,(H,24,27)/b25-15+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Grenoble Alpes Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE by spectrophotometry based Ellman's assay				J Med Chem 61: 7630-7639 (2018) Article DOI: 10.1021/acs.jmedchem.8b00592 BindingDB Entry DOI: 10.7270/Q2RF5XM2
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50458949 (CHEMBL4216666) Show SMILES O\N=C\c1nc(CCCCNc2c3CCCCc3nc3ccc(Cl)cc23)ccc1O Show InChI InChI=1S/C23H25ClN4O2/c24-15-8-10-20-18(13-15)23(17-6-1-2-7-19(17)28-20)25-12-4-3-5-16-9-11-22(29)21(27-16)14-26-30/h8-11,13-14,29-30H,1-7,12H2,(H,25,28)/b26-14+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Grenoble Alpes Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE by spectrophotometry based Ellman's assay				J Med Chem 61: 7630-7639 (2018) Article DOI: 10.1021/acs.jmedchem.8b00592 BindingDB Entry DOI: 10.7270/Q2RF5XM2
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50020522 (1-(((4-carbamoylpyridinium-1-yl)methoxy)methyl)-2-...) Show SMILES NC(=O)c1cc[n+](COC[n+]2ccccc2CN=O)cc1 Show InChI InChI=1S/C14H15N4O3/c15-14(19)12-4-7-17(8-5-12)10-21-11-18-6-2-1-3-13(18)9-16-20/h1-8H,9-11H2,(H-,15,19)/q+1/p+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Grenoble Alpes Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE by spectrophotometry based Ellman's assay				J Med Chem 61: 7630-7639 (2018) Article DOI: 10.1021/acs.jmedchem.8b00592 BindingDB Entry DOI: 10.7270/Q2RF5XM2
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50458950 (CHEMBL77510 | Pyridine-2-Carbaldehyde Oxime) Show SMILES O\N=C\c1ccccn1 Show InChI InChI=1S/C6H6N2O/c9-8-5-6-3-1-2-4-7-6/h1-5,9H/b8-5+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.60E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Grenoble Alpes Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE by spectrophotometry based Ellman's assay				J Med Chem 61: 7630-7639 (2018) Article DOI: 10.1021/acs.jmedchem.8b00592 BindingDB Entry DOI: 10.7270/Q2RF5XM2
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50005579 (CHEMBL139148 | Obidoxime) Show SMILES O\N=C\c1cc[n+](COC[n+]2ccc(\C=N\O)cc2)cc1 Show InChI InChI=1S/C14H14N4O3/c19-15-9-13-1-5-17(6-2-13)11-21-12-18-7-3-14(4-8-18)10-16-20/h1-10H,11-12H2/p+2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	6.40E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Grenoble Alpes Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE by spectrophotometry based Ellman's assay				J Med Chem 61: 7630-7639 (2018) Article DOI: 10.1021/acs.jmedchem.8b00592 BindingDB Entry DOI: 10.7270/Q2RF5XM2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Homo sapiens (Human))	BDBM50458949 (CHEMBL4216666) Show SMILES O\N=C\c1nc(CCCCNc2c3CCCCc3nc3ccc(Cl)cc23)ccc1O Show InChI InChI=1S/C23H25ClN4O2/c24-15-8-10-20-18(13-15)23(17-6-1-2-7-19(17)28-20)25-12-4-3-5-16-9-11-22(29)21(27-16)14-26-30/h8-11,13-14,29-30H,1-7,12H2,(H,25,28)/b26-14+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	2.13E+4	n/a	n/a	n/a	n/a	n/a
Universit£ Grenoble Alpes Curated by ChEMBL					Assay Description Reactivation of VX-inhibited human recombinant AChE assessed as dissociation constant of inhibited enzyme-compound complex incubated for 1 to 10 mins...				J Med Chem 61: 7630-7639 (2018) Article DOI: 10.1021/acs.jmedchem.8b00592 BindingDB Entry DOI: 10.7270/Q2RF5XM2
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50005579 (CHEMBL139148 | Obidoxime) Show SMILES O\N=C\c1cc[n+](COC[n+]2ccc(\C=N\O)cc2)cc1 Show InChI InChI=1S/C14H14N4O3/c19-15-9-13-1-5-17(6-2-13)11-21-12-18-7-3-14(4-8-18)10-16-20/h1-10H,11-12H2/p+2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	5.50E+5	n/a	n/a	n/a	n/a	n/a
Universit£ Grenoble Alpes Curated by ChEMBL					Assay Description Reactivation of ethyl paraoxon-inhibited human recombinant AChE assessed as dissociation constant of inhibited enzyme-compound complex incubated for ...				J Med Chem 61: 7630-7639 (2018) Article DOI: 10.1021/acs.jmedchem.8b00592 BindingDB Entry DOI: 10.7270/Q2RF5XM2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Homo sapiens (Human))	BDBM50020522 (1-(((4-carbamoylpyridinium-1-yl)methoxy)methyl)-2-...) Show SMILES NC(=O)c1cc[n+](COC[n+]2ccccc2CN=O)cc1 Show InChI InChI=1S/C14H15N4O3/c15-14(19)12-4-7-17(8-5-12)10-21-11-18-6-2-1-3-13(18)9-16-20/h1-8H,9-11H2,(H-,15,19)/q+1/p+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	8.00E+5	n/a	n/a	n/a	n/a	n/a
Universit£ Grenoble Alpes Curated by ChEMBL					Assay Description Reactivation of ethyl paraoxon-inhibited human recombinant AChE assessed as dissociation constant of inhibited enzyme-compound complex incubated for ...				J Med Chem 61: 7630-7639 (2018) Article DOI: 10.1021/acs.jmedchem.8b00592 BindingDB Entry DOI: 10.7270/Q2RF5XM2
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50458949 (CHEMBL4216666) Show SMILES O\N=C\c1nc(CCCCNc2c3CCCCc3nc3ccc(Cl)cc23)ccc1O Show InChI InChI=1S/C23H25ClN4O2/c24-15-8-10-20-18(13-15)23(17-6-1-2-7-19(17)28-20)25-12-4-3-5-16-9-11-22(29)21(27-16)14-26-30/h8-11,13-14,29-30H,1-7,12H2,(H,25,28)/b26-14+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	1.04E+4	n/a	n/a	n/a	n/a	n/a
Universit£ Grenoble Alpes Curated by ChEMBL					Assay Description Reactivation of tabun-inhibited human recombinant AChE assessed as dissociation constant of inhibited enzyme-compound complex incubated for 1 to 10 m...				J Med Chem 61: 7630-7639 (2018) Article DOI: 10.1021/acs.jmedchem.8b00592 BindingDB Entry DOI: 10.7270/Q2RF5XM2
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50458950 (CHEMBL77510 | Pyridine-2-Carbaldehyde Oxime) Show SMILES O\N=C\c1ccccn1 Show InChI InChI=1S/C6H6N2O/c9-8-5-6-3-1-2-4-7-6/h1-5,9H/b8-5+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	7.90E+5	n/a	n/a	n/a	n/a	n/a
Universit£ Grenoble Alpes Curated by ChEMBL					Assay Description Reactivation of tabun-inhibited human recombinant AChE assessed as dissociation constant of inhibited enzyme-compound complex incubated for 1 to 10 m...				J Med Chem 61: 7630-7639 (2018) Article DOI: 10.1021/acs.jmedchem.8b00592 BindingDB Entry DOI: 10.7270/Q2RF5XM2
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50458950 (CHEMBL77510 | Pyridine-2-Carbaldehyde Oxime) Show SMILES O\N=C\c1ccccn1 Show InChI InChI=1S/C6H6N2O/c9-8-5-6-3-1-2-4-7-6/h1-5,9H/b8-5+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	2.10E+5	n/a	n/a	n/a	n/a	n/a
Universit£ Grenoble Alpes Curated by ChEMBL					Assay Description Reactivation of VX-inhibited human recombinant AChE assessed as dissociation constant of inhibited enzyme-compound complex incubated for 1 to 10 mins...				J Med Chem 61: 7630-7639 (2018) Article DOI: 10.1021/acs.jmedchem.8b00592 BindingDB Entry DOI: 10.7270/Q2RF5XM2
					More data for this Ligand-Target Pair

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