Compile Data Set for Download or QSAR

Found 27 hits with Last Name = 'nederkoorn' and Initial = 'ph'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50099623 (4-[2-(4,4-Dimethyl-pent-1-ynyl)-cyclopropyl]-1H-im...) Show SMILES CC(C)(C)CC#CC1CC1c1cnc[nH]1 Show InChI InChI=1S/C13H18N2/c1-13(2,3)6-4-5-10-7-11(10)12-8-14-9-15-12/h8-11H,6-7H2,1-3H3,(H,14,15)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
De Novo Pharmaceuticals Curated by ChEMBL					Assay Description Ability to displace [3H]Nalpha-methylhistamine from histamine H3 receptors in homogenates of rat cerebral cortex				J Med Chem 44: 1666-74 (2001) BindingDB Entry DOI: 10.7270/Q2WH2QP8
					More data for this Ligand-Target Pair
Cysteinyl leukotriene receptor 1 (GUINEA PIG)	BDBM50009073 (4-(5-cyclopentyloxycarbonylamino-1-methyl-1H-indol...) Show SMILES COc1cc(ccc1Cc1cn(C)c2ccc(NC(=O)OC3CCCC3)cc12)C(=O)NS(=O)(=O)c1ccccc1C Show InChI InChI=1S/C31H33N3O6S/c1-20-8-4-7-11-29(20)41(37,38)33-30(35)22-13-12-21(28(17-22)39-3)16-23-19-34(2)27-15-14-24(18-26(23)27)32-31(36)40-25-9-5-6-10-25/h4,7-8,11-15,17-19,25H,5-6,9-10,16H2,1-3H3,(H,32,36)(H,33,35)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Curated by ChEMBL					Assay Description Binding affinity of the compound towards Cysteinyl leukotriene D4 receptor (cysLT1) was measured by the displacement of [3H]-LTD4 radioligand				J Med Chem 41: 1439-45 (1998) Article DOI: 10.1021/jm970180w BindingDB Entry DOI: 10.7270/Q2WH2P4P
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50099622 (1-Cyclohexylmethyl-3-[2-(1H-imidazol-4-yl)-cyclopr...) Show SMILES [NH3+]C(CC1CCCCC1)C=CC1CC1c1cnc[nH]1 |w:9.9| Show InChI InChI=1S/C16H25N3/c17-14(8-12-4-2-1-3-5-12)7-6-13-9-15(13)16-10-18-11-19-16/h6-7,10-15H,1-5,8-9,17H2,(H,18,19)/p+1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
De Novo Pharmaceuticals Curated by ChEMBL					Assay Description Ability to displace [3H]Nalpha-methylhistamine from histamine H3 receptors in homogenates of rat cerebral cortex				J Med Chem 44: 1666-74 (2001) BindingDB Entry DOI: 10.7270/Q2WH2QP8
					More data for this Ligand-Target Pair
Cysteinyl leukotriene receptor 1 (GUINEA PIG)	BDBM50052024 (CHEMBL787 | montelukast) Show SMILES CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(O)=O)CC1)c1cccc(\C=C\c2ccc3ccc(Cl)cc3n2)c1 |r| Show InChI InChI=1S/C35H36ClNO3S/c1-34(2,40)30-9-4-3-7-25(30)13-17-32(41-23-35(18-19-35)22-33(38)39)27-8-5-6-24(20-27)10-15-29-16-12-26-11-14-28(36)21-31(26)37-29/h3-12,14-16,20-21,32,40H,13,17-19,22-23H2,1-2H3,(H,38,39)/b15-10+/t32-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Curated by ChEMBL					Assay Description Binding affinity of the compound towards Cysteinyl leukotriene D4 receptor (cysLT1) was measured by the displacement of [3H]-LTD4 radioligand				J Med Chem 41: 1439-45 (1998) Article DOI: 10.1021/jm970180w BindingDB Entry DOI: 10.7270/Q2WH2P4P
					More data for this Ligand-Target Pair
Cysteinyl leukotriene receptor 1 (GUINEA PIG)	BDBM50064085 (CHEMBL285070 | N-[4-Oxo-2-(1H-tetrazol-5-yl)-4H-ch...) Show SMILES O=C(Nc1cccc2c1oc(cc2=O)-c1nnn[nH]1)c1ccc(OCc2ccc3ccccc3n2)cc1 Show InChI InChI=1S/C27H18N6O4/c34-23-14-24(26-30-32-33-31-26)37-25-20(23)5-3-7-22(25)29-27(35)17-9-12-19(13-10-17)36-15-18-11-8-16-4-1-2-6-21(16)28-18/h1-14H,15H2,(H,29,35)(H,30,31,32,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Curated by ChEMBL					Assay Description Binding affinity of the compound towards Cysteinyl leukotriene D4 receptor (cysLT1) was measured by the displacement of [3H]-LTD4 radioligand				J Med Chem 41: 1439-45 (1998) Article DOI: 10.1021/jm970180w BindingDB Entry DOI: 10.7270/Q2WH2P4P
					More data for this Ligand-Target Pair
Cysteinyl leukotriene receptor 1 (GUINEA PIG)	BDBM50064083 (7-{(E)-2-[3-(Quinolin-2-ylmethoxy)-phenyl]-vinyl}-...) Show SMILES O=c1cc(oc2cc(\C=C\c3cccc(OCc4ccc5ccccc5n4)c3)ccc12)-c1nnn[nH]1 Show InChI InChI=1S/C28H19N5O3/c34-25-16-27(28-30-32-33-31-28)36-26-15-19(10-13-23(25)26)9-8-18-4-3-6-22(14-18)35-17-21-12-11-20-5-1-2-7-24(20)29-21/h1-16H,17H2,(H,30,31,32,33)/b9-8+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Curated by ChEMBL					Assay Description Binding affinity of the compound towards Cysteinyl leukotriene D4 receptor (cysLT1) was measured by the displacement of [3H]-LTD4 radioligand				J Med Chem 41: 1439-45 (1998) Article DOI: 10.1021/jm970180w BindingDB Entry DOI: 10.7270/Q2WH2P4P
					More data for this Ligand-Target Pair
Cysteinyl leukotriene receptor 1 (GUINEA PIG)	BDBM50064084 (7-[3-(Quinolin-2-ylmethoxy)-benzyloxy]-2-(1H-tetra...) Show SMILES O=c1cc(oc2cc(OCc3cccc(OCc4ccc5ccccc5n4)c3)ccc12)-c1nnn[nH]1 Show InChI InChI=1S/C27H19N5O4/c33-24-14-26(27-29-31-32-30-27)36-25-13-21(10-11-22(24)25)34-15-17-4-3-6-20(12-17)35-16-19-9-8-18-5-1-2-7-23(18)28-19/h1-14H,15-16H2,(H,29,30,31,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Curated by ChEMBL					Assay Description Binding affinity of the compound towards Cysteinyl leukotriene D4 receptor (cysLT1) was measured by the displacement of [3H]-LTD4 radioligand				J Med Chem 41: 1439-45 (1998) Article DOI: 10.1021/jm970180w BindingDB Entry DOI: 10.7270/Q2WH2P4P
					More data for this Ligand-Target Pair
Cysteinyl leukotriene receptor 1 (GUINEA PIG)	BDBM50064086 (CHEMBL283754 | Cinalukast | N-{3-[(E)-2-(4-Cyclobu...) Show SMILES CCC(CC)(CC(=O)Nc1cccc(\C=C\c2nc(cs2)C2CCC2)c1)C(O)=O Show InChI InChI=1S/C23H28N2O3S/c1-3-23(4-2,22(27)28)14-20(26)24-18-10-5-7-16(13-18)11-12-21-25-19(15-29-21)17-8-6-9-17/h5,7,10-13,15,17H,3-4,6,8-9,14H2,1-2H3,(H,24,26)(H,27,28)/b12-11+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem	Article PubMed	6.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Curated by ChEMBL					Assay Description Binding affinity of the compound towards Cysteinyl leukotriene D4 receptor (cysLT1) was measured by the displacement of [3H]-LTD4 radioligand				J Med Chem 41: 1439-45 (1998) Article DOI: 10.1021/jm970180w BindingDB Entry DOI: 10.7270/Q2WH2P4P
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50071496 (CHEMBL73053 | N-(4-Chloro-benzyl)-2-[4-(1H-imidazo...) Show SMILES Clc1ccc(CNC(=N)Cc2ccc(Cc3cnc[nH]3)cc2)cc1 Show InChI InChI=1S/C19H19ClN4/c20-17-7-5-16(6-8-17)11-23-19(21)10-15-3-1-14(2-4-15)9-18-12-22-13-24-18/h1-8,12-13H,9-11H2,(H2,21,23)(H,22,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
De Novo Pharmaceuticals Curated by ChEMBL					Assay Description Ability to displace [3H]Nalpha-methylhistamine from histamine H3 receptors in homogenates of rat cerebral cortex				J Med Chem 44: 1666-74 (2001) BindingDB Entry DOI: 10.7270/Q2WH2QP8
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50050183 ((4-Iodo-benzyl)-carbamic acid 3-(1H-imidazol-4-yl)...) Show SMILES Ic1ccc(CNC(=O)OCCCc2cnc[nH]2)cc1 Show InChI InChI=1S/C14H16IN3O2/c15-12-5-3-11(4-6-12)8-17-14(19)20-7-1-2-13-9-16-10-18-13/h3-6,9-10H,1-2,7-8H2,(H,16,18)(H,17,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
De Novo Pharmaceuticals Curated by ChEMBL					Assay Description Ability to displace [3H]Nalpha-methylhistamine from histamine H3 receptors in homogenates of rat cerebral cortex				J Med Chem 44: 1666-74 (2001) BindingDB Entry DOI: 10.7270/Q2WH2QP8
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50099624 ((4-Chloro-phenyl)-acetic acid 3-(1H-imidazol-4-yl)...) Show SMILES Clc1ccc(CC(=O)OCCCc2cnc[nH]2)cc1 Show InChI InChI=1S/C14H15ClN2O2/c15-12-5-3-11(4-6-12)8-14(18)19-7-1-2-13-9-16-10-17-13/h3-6,9-10H,1-2,7-8H2,(H,16,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
De Novo Pharmaceuticals Curated by ChEMBL					Assay Description Ability to displace [3H]Nalpha-methylhistamine from histamine H3 receptors in homogenates of rat cerebral cortex				J Med Chem 44: 1666-74 (2001) BindingDB Entry DOI: 10.7270/Q2WH2QP8
					More data for this Ligand-Target Pair
Cysteinyl leukotriene receptor 1 (GUINEA PIG)	BDBM50023198 (8-[4-(4-phenylbutyloxy)benzoyl]amino-2-(tetrazol-5...) Show SMILES O=C(Nc1cccc2c1oc(cc2=O)-c1nnn[nH]1)c1ccc(OCCCCc2ccccc2)cc1 Show InChI InChI=1S/C27H23N5O4/c33-23-17-24(26-29-31-32-30-26)36-25-21(23)10-6-11-22(25)28-27(34)19-12-14-20(15-13-19)35-16-5-4-9-18-7-2-1-3-8-18/h1-3,6-8,10-15,17H,4-5,9,16H2,(H,28,34)(H,29,30,31,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Curated by ChEMBL					Assay Description Binding affinity of the compound towards Cysteinyl leukotriene D4 receptor (cysLT1) was measured by the displacement of [3H]-LTD4 radioligand				J Med Chem 41: 1439-45 (1998) Article DOI: 10.1021/jm970180w BindingDB Entry DOI: 10.7270/Q2WH2P4P
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cysteinyl leukotriene receptor 1 (GUINEA PIG)	BDBM50064074 (4-Oxo-2-[3-((E)-2-quinolin-2-yl-vinyl)-phenyl]-4H-...) Show SMILES OC(=O)c1cccc2c1oc(cc2=O)-c1cccc(\C=C\c2ccc3ccccc3n2)c1 Show InChI InChI=1S/C27H17NO4/c29-24-16-25(32-26-21(24)8-4-9-22(26)27(30)31)19-7-3-5-17(15-19)11-13-20-14-12-18-6-1-2-10-23(18)28-20/h1-16H,(H,30,31)/b13-11+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Curated by ChEMBL					Assay Description Binding affinity of the compound towards Cysteinyl leukotriene D4 receptor (cysLT1) was measured by the displacement of [3H]-LTD4 radioligand				J Med Chem 41: 1439-45 (1998) Article DOI: 10.1021/jm970180w BindingDB Entry DOI: 10.7270/Q2WH2P4P
					More data for this Ligand-Target Pair
Cysteinyl leukotriene receptor 1 (GUINEA PIG)	BDBM50064072 (4-Oxo-2-[3-(quinolin-2-ylmethoxy)-phenyl]-4H-chrom...) Show SMILES OC(=O)c1cccc2c1oc(cc2=O)-c1cccc(OCc2ccc3ccccc3n2)c1 Show InChI InChI=1S/C26H17NO5/c28-23-14-24(32-25-20(23)8-4-9-21(25)26(29)30)17-6-3-7-19(13-17)31-15-18-12-11-16-5-1-2-10-22(16)27-18/h1-14H,15H2,(H,29,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Curated by ChEMBL					Assay Description Binding affinity of the compound towards Cysteinyl leukotriene D4 receptor (cysLT1) was measured by the displacement of [3H]-LTD4 radioligand				J Med Chem 41: 1439-45 (1998) Article DOI: 10.1021/jm970180w BindingDB Entry DOI: 10.7270/Q2WH2P4P
					More data for this Ligand-Target Pair
Cysteinyl leukotriene receptor 1 (GUINEA PIG)	BDBM50009075 (CHEMBL22033 | ICI 198615 | ICI-198615 | [1-(4-Benz...) Show SMILES COc1cc(ccc1Cn1ncc2ccc(NC(=O)OC3CCCC3)cc12)C(=O)NS(=O)(=O)c1ccccc1 Show InChI InChI=1S/C28H28N4O6S/c1-37-26-15-19(27(33)31-39(35,36)24-9-3-2-4-10-24)11-12-21(26)18-32-25-16-22(14-13-20(25)17-29-32)30-28(34)38-23-7-5-6-8-23/h2-4,9-17,23H,5-8,18H2,1H3,(H,30,34)(H,31,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article	n/a	n/a	n/a	3.01E+4	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Dissociation constant for CysLT1 receptor was determined by the displacement of [3H]LTD4 from guinea pig lung membranes				Bioorg Med Chem Lett 7: 1331-1336 (1997) Article DOI: 10.1016/S0960-894X(97)00219-9 BindingDB Entry DOI: 10.7270/Q2JD4WTR
					More data for this Ligand-Target Pair
Histamine H3 receptor (GUINEA PIG)	BDBM50409200 (CHEMBL412882) Show SMILES Clc1ccc(CNC(=S)N2CCC(CC2)c2cnc[nH]2)cc1 Show InChI InChI=1S/C16H19ClN4S/c17-14-3-1-12(2-4-14)9-19-16(22)21-7-5-13(6-8-21)15-10-18-11-20-15/h1-4,10-11,13H,5-9H2,(H,18,20)(H,19,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	61.7	n/a	n/a	n/a	n/a	n/a
De Novo Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]Nalpha-methylhistamine from histamine H3 receptors in homogenates of rat cerebral cortex				J Med Chem 44: 1666-74 (2001) BindingDB Entry DOI: 10.7270/Q2WH2QP8
					More data for this Ligand-Target Pair
Histamine H3 receptor (GUINEA PIG)	BDBM50071197 (4-(4-Phenyl-butyl)-1H-imidazole | CHEMBL296450) Show SMILES C(CCc1ccccc1)Cc1cnc[nH]1 Show InChI InChI=1S/C13H16N2/c1-2-6-12(7-3-1)8-4-5-9-13-10-14-11-15-13/h1-3,6-7,10-11H,4-5,8-9H2,(H,14,15)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	25.1	n/a	n/a	n/a	n/a	n/a
De Novo Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]Nalpha-methylhistamine from histamine H3 receptors in homogenates of rat cerebral cortex				J Med Chem 44: 1666-74 (2001) BindingDB Entry DOI: 10.7270/Q2WH2QP8
					More data for this Ligand-Target Pair
Histamine H3 receptor (GUINEA PIG)	BDBM50409216 (CHEMBL150701) Show SMILES C(Cc1cnc[nH]1)C1CCNCC1 Show InChI InChI=1S/C10H17N3/c1(2-10-7-12-8-13-10)9-3-5-11-6-4-9/h7-9,11H,1-6H2,(H,12,13)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	3.98	n/a	n/a	n/a	n/a	n/a
De Novo Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]Nalpha-methylhistamine from histamine H3 receptors in homogenates of rat cerebral cortex				J Med Chem 44: 1666-74 (2001) BindingDB Entry DOI: 10.7270/Q2WH2QP8
					More data for this Ligand-Target Pair
Histamine H3 receptor (GUINEA PIG)	BDBM50407372 (CHEMBL44220) Show SMILES CNC(=S)NCCCCCc1cnc[nH]1 Show InChI InChI=1S/C10H18N4S/c1-11-10(15)13-6-4-2-3-5-9-7-12-8-14-9/h7-8H,2-6H2,1H3,(H,12,14)(H2,11,13,15)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a
De Novo Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]Nalpha-methylhistamine from histamine H3 receptors in homogenates of rat cerebral cortex				J Med Chem 44: 1666-74 (2001) BindingDB Entry DOI: 10.7270/Q2WH2QP8
					More data for this Ligand-Target Pair
Histamine H3 receptor (GUINEA PIG)	BDBM50409217 (CHEMBL45056) Show SMILES Clc1ccc(Cc2noc(CCCc3cnc[nH]3)n2)cc1 Show InChI InChI=1S/C15H15ClN4O/c16-12-6-4-11(5-7-12)8-14-19-15(21-20-14)3-1-2-13-9-17-10-18-13/h4-7,9-10H,1-3,8H2,(H,17,18)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	7.94	n/a	n/a	n/a	n/a	n/a
De Novo Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]Nalpha-methylhistamine from histamine H3 receptors in homogenates of rat cerebral cortex				J Med Chem 44: 1666-74 (2001) BindingDB Entry DOI: 10.7270/Q2WH2QP8
					More data for this Ligand-Target Pair
Cysteinyl leukotriene receptor 1 (GUINEA PIG)	BDBM50023198 (8-[4-(4-phenylbutyloxy)benzoyl]amino-2-(tetrazol-5...) Show SMILES O=C(Nc1cccc2c1oc(cc2=O)-c1nnn[nH]1)c1ccc(OCCCCc2ccccc2)cc1 Show InChI InChI=1S/C27H23N5O4/c33-23-17-24(26-29-31-32-30-26)36-25-21(23)10-6-11-22(25)28-27(34)19-12-14-20(15-13-19)35-16-5-4-9-18-7-2-1-3-8-18/h1-3,6-8,10-15,17H,4-5,9,16H2,(H,28,34)(H,29,30,31,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article	n/a	n/a	n/a	2.14E+5	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Dissociation constant for CysLT1 receptor was determined by the displacement of [3H]LTD4 from guinea pig lung membranes				Bioorg Med Chem Lett 7: 1331-1336 (1997) Article DOI: 10.1016/S0960-894X(97)00219-9 BindingDB Entry DOI: 10.7270/Q2JD4WTR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histamine H3 receptor (GUINEA PIG)	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 UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	n/a	1.26	n/a	n/a	n/a	n/a	n/a
De Novo Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]Nalpha-methylhistamine from histamine H3 receptors in homogenates of rat cerebral cortex				J Med Chem 44: 1666-74 (2001) BindingDB Entry DOI: 10.7270/Q2WH2QP8
					More data for this Ligand-Target Pair
Histamine H3 receptor (GUINEA PIG)	BDBM85830 (VUF5202) Show SMILES Clc1ccc(CNCCCCCc2cnc[nH]2)cc1 Show InChI InChI=1S/C15H20ClN3/c16-14-7-5-13(6-8-14)10-17-9-3-1-2-4-15-11-18-12-19-15/h5-8,11-12,17H,1-4,9-10H2,(H,18,19)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	1.26	n/a	n/a	n/a	n/a	n/a
De Novo Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]Nalpha-methylhistamine from histamine H3 receptors in homogenates of rat cerebral cortex				J Med Chem 44: 1666-74 (2001) BindingDB Entry DOI: 10.7270/Q2WH2QP8
					More data for this Ligand-Target Pair
Histamine H3 receptor (GUINEA PIG)	BDBM50409218 (CHEMBL45342) Show SMILES O=C(NCCCc1cnc[nH]1)NC1CCCCC1 Show InChI InChI=1S/C13H22N4O/c18-13(17-11-5-2-1-3-6-11)15-8-4-7-12-9-14-10-16-12/h9-11H,1-8H2,(H,14,16)(H2,15,17,18)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	50.1	n/a	n/a	n/a	n/a	n/a
De Novo Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]Nalpha-methylhistamine from histamine H3 receptors in homogenates of rat cerebral cortex				J Med Chem 44: 1666-74 (2001) BindingDB Entry DOI: 10.7270/Q2WH2QP8
					More data for this Ligand-Target Pair
Histamine H3 receptor (GUINEA PIG)	BDBM50409211 (CHEMBL45027) Show SMILES Clc1ccccc1CNC(=S)N1CCC(CC1)c1cnc[nH]1 Show InChI InChI=1S/C16H19ClN4S/c17-14-4-2-1-3-13(14)9-19-16(22)21-7-5-12(6-8-21)15-10-18-11-20-15/h1-4,10-12H,5-9H2,(H,18,20)(H,19,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	6.17	n/a	n/a	n/a	n/a	n/a
De Novo Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]Nalpha-methylhistamine from histamine H3 receptors in homogenates of rat cerebral cortex				J Med Chem 44: 1666-74 (2001) BindingDB Entry DOI: 10.7270/Q2WH2QP8
					More data for this Ligand-Target Pair
Histamine H3 receptor (GUINEA PIG)	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 UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	0.158	n/a	n/a	n/a	n/a	n/a
De Novo Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]Nalpha-methylhistamine from histamine H3 receptors in homogenates of rat cerebral cortex				J Med Chem 44: 1666-74 (2001) BindingDB Entry DOI: 10.7270/Q2WH2QP8
					More data for this Ligand-Target Pair
Histamine H3 receptor (GUINEA PIG)	BDBM22916 (5-{3-[(4-iodophenyl)methoxy]propyl}-1H-imidazole |...) Show SMILES Ic1ccc(COCCCc2cnc[nH]2)cc1 Show InChI InChI=1S/C13H15IN2O/c14-12-5-3-11(4-6-12)9-17-7-1-2-13-8-15-10-16-13/h3-6,8,10H,1-2,7,9H2,(H,15,16)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	5.01	n/a	n/a	n/a	n/a	n/a
De Novo Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]Nalpha-methylhistamine from histamine H3 receptors in homogenates of rat cerebral cortex				J Med Chem 44: 1666-74 (2001) BindingDB Entry DOI: 10.7270/Q2WH2QP8
					More data for this Ligand-Target Pair