Compile Data Set for Download or QSAR

Found 1976 hits with Last Name = 'zheng' and Initial = 's'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Coagulation factor XI (Homo sapiens (Human))	BDBM320260 (US10174020, Compound 8-1) Show SMILES OC(=O)c1cc2cc(NC(=O)[C@@H]3CCc4cc(cc(=O)n34)-c3cc(Cl)ccc3-n3cnnn3)ccc2[nH]1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SICHUAN HAISCO PHARMACEUTICAL CO., LTD. US Patent					Assay Description The following method was used to test the in vitro inhibitory effect of the compounds of the present invention on the activity of human blood-coagula...				US Patent US10174020 (2019) BindingDB Entry DOI: 10.7270/Q2BK1FGM
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Homo sapiens (Human))	BDBM50277511 (3-[(3aR,4R,5S,7aS)-5-{(1R)-1-[3,5-Bis(trifluoromet...) Show SMILES C[C@@H](O[C@H]1CC[C@@H]2CN(C[C@H]2[C@@H]1c1ccc(F)cc1)C1=CC(=O)CC1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r,t:22| Show InChI InChI=1S/C29H28F7NO2/c1-16(19-10-20(28(31,32)33)12-21(11-19)29(34,35)36)39-26-9-4-18-14-37(23-7-8-24(38)13-23)15-25(18)27(26)17-2-5-22(30)6-3-17/h2-3,5-6,10-13,16,18,25-27H,4,7-9,14-15H2,1H3/t16-,18-,25-,26+,27+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human NK3 receptor				J Med Chem 52: 3039-46 (2009) Article DOI: 10.1021/jm8016514 BindingDB Entry DOI: 10.7270/Q2FX79BT
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50277511 (3-[(3aR,4R,5S,7aS)-5-{(1R)-1-[3,5-Bis(trifluoromet...) Show SMILES C[C@@H](O[C@H]1CC[C@@H]2CN(C[C@H]2[C@@H]1c1ccc(F)cc1)C1=CC(=O)CC1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r,t:22| Show InChI InChI=1S/C29H28F7NO2/c1-16(19-10-20(28(31,32)33)12-21(11-19)29(34,35)36)39-26-9-4-18-14-37(23-7-8-24(38)13-23)15-25(18)27(26)17-2-5-22(30)6-3-17/h2-3,5-6,10-13,16,18,25-27H,4,7-9,14-15H2,1H3/t16-,18-,25-,26+,27+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human NK2 receptor				J Med Chem 52: 3039-46 (2009) Article DOI: 10.1021/jm8016514 BindingDB Entry DOI: 10.7270/Q2FX79BT
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50386351 (CHEMBL2048589) Show SMILES C1CCN(CC1)C1CCN(CC1)c1nnc(s1)N1CCCC(=C1)c1ccccn1 |c:24| Show InChI InChI=1S/C22H30N6S/c1-4-12-26(13-5-1)19-9-15-27(16-10-19)21-24-25-22(29-21)28-14-6-7-18(17-28)20-8-2-3-11-23-20/h2-3,8,11,17,19H,1,4-7,9-10,12-16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]-N-alpha-methylhistamine from human recombinant histamine H3 receptor after 30 mins by scintillation counting				ACS Med Chem Lett 3: 198-202 (2012) Article DOI: 10.1021/ml200250t BindingDB Entry DOI: 10.7270/Q2736S0M
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50386346 (CHEMBL2048594) Show SMILES C1CCN(CC1)C1CCN(CC1)c1nnc(s1)N1CCOC(C1)c1ccccn1 Show InChI InChI=1S/C21H30N6OS/c1-4-10-25(11-5-1)17-7-12-26(13-8-17)20-23-24-21(29-20)27-14-15-28-19(16-27)18-6-2-3-9-22-18/h2-3,6,9,17,19H,1,4-5,7-8,10-16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]-N-alpha-methylhistamine from human recombinant histamine H3 receptor after 30 mins by scintillation counting				ACS Med Chem Lett 3: 198-202 (2012) Article DOI: 10.1021/ml200250t BindingDB Entry DOI: 10.7270/Q2736S0M
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50386346 (CHEMBL2048594) Show SMILES C1CCN(CC1)C1CCN(CC1)c1nnc(s1)N1CCOC(C1)c1ccccn1 Show InChI InChI=1S/C21H30N6OS/c1-4-10-25(11-5-1)17-7-12-26(13-8-17)20-23-24-21(29-20)27-14-15-28-19(16-27)18-6-2-3-9-22-18/h2-3,6,9,17,19H,1,4-5,7-8,10-16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]-N-alpha-methylhistamine from human recombinant histamine H3 receptor after 30 mins by scintillation counting				ACS Med Chem Lett 3: 198-202 (2012) Article DOI: 10.1021/ml200250t BindingDB Entry DOI: 10.7270/Q2736S0M
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50386364 (CHEMBL2048592) Show SMILES FC1(CCCN(C1)c1nnc(s1)N1CCC(CC1)N1CCCCC1)c1ccccn1 Show InChI InChI=1S/C22H31FN6S/c23-22(19-7-2-3-11-24-19)10-6-14-29(17-22)21-26-25-20(30-21)28-15-8-18(9-16-28)27-12-4-1-5-13-27/h2-3,7,11,18H,1,4-6,8-10,12-17H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]-N-alpha-methylhistamine from human recombinant histamine H3 receptor after 30 mins by scintillation counting				ACS Med Chem Lett 3: 198-202 (2012) Article DOI: 10.1021/ml200250t BindingDB Entry DOI: 10.7270/Q2736S0M
					More data for this Ligand-Target Pair
Histamine H3 receptor (Mus musculus)	BDBM50386346 (CHEMBL2048594) Show SMILES C1CCN(CC1)C1CCN(CC1)c1nnc(s1)N1CCOC(C1)c1ccccn1 Show InChI InChI=1S/C21H30N6OS/c1-4-10-25(11-5-1)17-7-12-26(13-8-17)20-23-24-21(29-20)27-14-15-28-19(16-27)18-6-2-3-9-22-18/h2-3,6,9,17,19H,1,4-5,7-8,10-16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]-N-alpha-methylhistamine from mouse recombinant histamine H3 receptor after 30 mins by scintillation counting				ACS Med Chem Lett 3: 198-202 (2012) Article DOI: 10.1021/ml200250t BindingDB Entry DOI: 10.7270/Q2736S0M
					More data for this Ligand-Target Pair
Histamine H3 receptor (Mus musculus)	BDBM50386346 (CHEMBL2048594) Show SMILES C1CCN(CC1)C1CCN(CC1)c1nnc(s1)N1CCOC(C1)c1ccccn1 Show InChI InChI=1S/C21H30N6OS/c1-4-10-25(11-5-1)17-7-12-26(13-8-17)20-23-24-21(29-20)27-14-15-28-19(16-27)18-6-2-3-9-22-18/h2-3,6,9,17,19H,1,4-5,7-8,10-16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]-N-alpha-methylhistamine from mouse recombinant histamine H3 receptor after 30 mins by scintillation counting				ACS Med Chem Lett 3: 198-202 (2012) Article DOI: 10.1021/ml200250t BindingDB Entry DOI: 10.7270/Q2736S0M
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM320262 (5-[[2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-oxo-...) Show SMILES OC(=O)c1cc2cc(NC(=O)C(Cc3ccccc3)n3ccc(cc3=O)-c3cc(Cl)ccc3-n3cnnn3)ccc2[nH]1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SICHUAN HAISCO PHARMACEUTICAL CO., LTD. US Patent					Assay Description The following method was used to test the in vitro inhibitory effect of the compounds of the present invention on the activity of human blood-coagula...				US Patent US10174020 (2019) BindingDB Entry DOI: 10.7270/Q2BK1FGM
					More data for this Ligand-Target Pair
Histamine H3 receptor (Mus musculus)	BDBM50386351 (CHEMBL2048589) Show SMILES C1CCN(CC1)C1CCN(CC1)c1nnc(s1)N1CCCC(=C1)c1ccccn1 |c:24| Show InChI InChI=1S/C22H30N6S/c1-4-12-26(13-5-1)19-9-15-27(16-10-19)21-24-25-22(29-21)28-14-6-7-18(17-28)20-8-2-3-11-23-20/h2-3,8,11,17,19H,1,4-7,9-10,12-16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]-N-alpha-methylhistamine from mouse recombinant histamine H3 receptor after 30 mins by scintillation counting				ACS Med Chem Lett 3: 198-202 (2012) Article DOI: 10.1021/ml200250t BindingDB Entry DOI: 10.7270/Q2736S0M
					More data for this Ligand-Target Pair
Cytochrome P450 1B1 (Homo sapiens (Human))	BDBM50432672 (CHEMBL2347912) Show SMILES Oc1cc2OCC=Cc2c2oc(cc(=O)c12)-c1ccccc1 |c:6| Show InChI InChI=1S/C18H12O4/c19-13-9-15(11-5-2-1-3-6-11)22-18-12-7-4-8-21-16(12)10-14(20)17(13)18/h1-7,9-10,20H,8H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Xavier University of Louisiana Curated by ChEMBL					Assay Description Inhibition of human microsomal CYP1B1-dependent ethoxyresorufin-O-deethylase activity by spectrofluorimetric analysis in presence of NADPH regenerati...				J Med Chem 58: 6481-93 (2015) Article DOI: 10.1021/acs.jmedchem.5b00494 BindingDB Entry DOI: 10.7270/Q2183895
					More data for this Ligand-Target Pair
Histamine H3 receptor (Mus musculus)	BDBM50386364 (CHEMBL2048592) Show SMILES FC1(CCCN(C1)c1nnc(s1)N1CCC(CC1)N1CCCCC1)c1ccccn1 Show InChI InChI=1S/C22H31FN6S/c23-22(19-7-2-3-11-24-19)10-6-14-29(17-22)21-26-25-20(30-21)28-15-8-18(9-16-28)27-12-4-1-5-13-27/h2-3,7,11,18H,1,4-6,8-10,12-17H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]-N-alpha-methylhistamine from mouse recombinant histamine H3 receptor after 30 mins by scintillation counting				ACS Med Chem Lett 3: 198-202 (2012) Article DOI: 10.1021/ml200250t BindingDB Entry DOI: 10.7270/Q2736S0M
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50386347 (CHEMBL2048595) Show SMILES C1CCN(CC1)C1CCN(CC1)c1nnc(s1)N1CCOC(C1)c1cnccn1 Show InChI InChI=1S/C20H29N7OS/c1-2-8-25(9-3-1)16-4-10-26(11-5-16)19-23-24-20(29-19)27-12-13-28-18(15-27)17-14-21-6-7-22-17/h6-7,14,16,18H,1-5,8-13,15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]-N-alpha-methylhistamine from human recombinant histamine H3 receptor after 30 mins by scintillation counting				ACS Med Chem Lett 3: 198-202 (2012) Article DOI: 10.1021/ml200250t BindingDB Entry DOI: 10.7270/Q2736S0M
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM320255 (N-(2-carboxyindol-5-yl)-7-(5-chloro-2-(1H-tetrazol...) Show SMILES OC(=O)c1cc2cc(NC(=O)C3CCc4cc(cc(=O)n34)-c3cc(Cl)ccc3-n3cnnn3)ccc2[nH]1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SICHUAN HAISCO PHARMACEUTICAL CO., LTD. US Patent					Assay Description The following method was used to test the in vitro inhibitory effect of the compounds of the present invention on the activity of human blood-coagula...				US Patent US10174020 (2019) BindingDB Entry DOI: 10.7270/Q2BK1FGM
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50386350 (CHEMBL2048590) Show SMILES COC1(CCCN(C1)c1nnc(s1)N1CCC(CC1)N1CCCCC1)c1ccccn1 Show InChI InChI=1S/C23H34N6OS/c1-30-23(20-8-3-4-12-24-20)11-7-15-29(18-23)22-26-25-21(31-22)28-16-9-19(10-17-28)27-13-5-2-6-14-27/h3-4,8,12,19H,2,5-7,9-11,13-18H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]-N-alpha-methylhistamine from human recombinant histamine H3 receptor after 30 mins by scintillation counting				ACS Med Chem Lett 3: 198-202 (2012) Article DOI: 10.1021/ml200250t BindingDB Entry DOI: 10.7270/Q2736S0M
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50386353 (CHEMBL2048587) Show SMILES C1CCN(CC1)C1CCN(CC1)c1nnc(s1)N1CCC=C(C1)c1ccccn1 |c:23| Show InChI InChI=1S/C22H30N6S/c1-4-12-26(13-5-1)19-9-15-27(16-10-19)21-24-25-22(29-21)28-14-6-7-18(17-28)20-8-2-3-11-23-20/h2-3,7-8,11,19H,1,4-6,9-10,12-17H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]-N-alpha-methylhistamine from human recombinant histamine H3 receptor after 30 mins by scintillation counting				ACS Med Chem Lett 3: 198-202 (2012) Article DOI: 10.1021/ml200250t BindingDB Entry DOI: 10.7270/Q2736S0M
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM320258 (N-(2-carboxyindol-5-yl)-2-(4-(5-chloro-2-(1H-tetra...) Show SMILES CC(C)(C)OC(=O)c1cc2cc(NC(=O)Cn3ccc(cc3=O)-c3cc(Cl)ccc3-n3cnnn3)ccc2[nH]1 Show InChI InChI=1S/C27H24ClN7O4/c1-27(2,3)39-26(38)22-11-17-10-19(5-6-21(17)31-22)30-24(36)14-34-9-8-16(12-25(34)37)20-13-18(28)4-7-23(20)35-15-29-32-33-35/h4-13,15,31H,14H2,1-3H3,(H,30,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SICHUAN HAISCO PHARMACEUTICAL CO., LTD. US Patent					Assay Description The following method was used to test the in vitro inhibitory effect of the compounds of the present invention on the activity of human blood-coagula...				US Patent US10174020 (2019) BindingDB Entry DOI: 10.7270/Q2BK1FGM
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50432672 (CHEMBL2347912) Show SMILES Oc1cc2OCC=Cc2c2oc(cc(=O)c12)-c1ccccc1 |c:6| Show InChI InChI=1S/C18H12O4/c19-13-9-15(11-5-2-1-3-6-11)22-18-12-7-4-8-21-16(12)10-14(20)17(13)18/h1-7,9-10,20H,8H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Xavier University of Louisiana Curated by ChEMBL					Assay Description Inhibition of human microsomal CYP1A2-dependent methoxyresorufin-O-demethylase activity by spectrofluorimetric analysis in presence of NADPH regenera...				J Med Chem 58: 6481-93 (2015) Article DOI: 10.1021/acs.jmedchem.5b00494 BindingDB Entry DOI: 10.7270/Q2183895
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50386352 (CHEMBL2048588) Show SMILES C1CCN(CC1)C1CCN(CC1)c1nnc(s1)N1CCC=C(C1)c1ncccn1 |c:23| Show InChI InChI=1S/C21H29N7S/c1-2-11-26(12-3-1)18-7-14-27(15-8-18)20-24-25-21(29-20)28-13-4-6-17(16-28)19-22-9-5-10-23-19/h5-6,9-10,18H,1-4,7-8,11-16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]-N-alpha-methylhistamine from human recombinant histamine H3 receptor after 30 mins by scintillation counting				ACS Med Chem Lett 3: 198-202 (2012) Article DOI: 10.1021/ml200250t BindingDB Entry DOI: 10.7270/Q2736S0M
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50386359 (CHEMBL2048581) Show SMILES FC1(F)CCN(CC1)c1nnc(s1)N1CCC(CC1)N1CCCCC1 Show InChI InChI=1S/C17H27F2N5S/c18-17(19)6-12-24(13-7-17)16-21-20-15(25-16)23-10-4-14(5-11-23)22-8-2-1-3-9-22/h14H,1-13H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]-N-alpha-methylhistamine from human recombinant histamine H3 receptor after 30 mins by scintillation counting				ACS Med Chem Lett 3: 198-202 (2012) Article DOI: 10.1021/ml200250t BindingDB Entry DOI: 10.7270/Q2736S0M
					More data for this Ligand-Target Pair
Cytochrome P450 1B1 (Homo sapiens (Human))	BDBM50014323 (2-PHENYL-4H-BENZO[H]CHROMEN-4-ONE | 2-Phenyl-benzo...) Show SMILES O=c1cc(oc2c3ccccc3ccc12)-c1ccccc1 Show InChI InChI=1S/C19H12O2/c20-17-12-18(14-7-2-1-3-8-14)21-19-15-9-5-4-6-13(15)10-11-16(17)19/h1-12H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Xavier University of Louisiana Curated by ChEMBL					Assay Description Inhibition of human microsomal CYP1B1-dependent ethoxyresorufin-O-deethylase activity by spectrofluorimetric analysis in presence of NADPH regenerati...				J Med Chem 58: 6481-93 (2015) Article DOI: 10.1021/acs.jmedchem.5b00494 BindingDB Entry DOI: 10.7270/Q2183895
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histamine H3 receptor (Mus musculus)	BDBM50386347 (CHEMBL2048595) Show SMILES C1CCN(CC1)C1CCN(CC1)c1nnc(s1)N1CCOC(C1)c1cnccn1 Show InChI InChI=1S/C20H29N7OS/c1-2-8-25(9-3-1)16-4-10-26(11-5-16)19-23-24-20(29-19)27-12-13-28-18(15-27)17-14-21-6-7-22-17/h6-7,14,16,18H,1-5,8-13,15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]-N-alpha-methylhistamine from mouse recombinant histamine H3 receptor after 30 mins by scintillation counting				ACS Med Chem Lett 3: 198-202 (2012) Article DOI: 10.1021/ml200250t BindingDB Entry DOI: 10.7270/Q2736S0M
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM320256 (N-(2-carboxyindol-5-yl)-2-(5-chloro-2-(1H-tetrazol...) Show SMILES CC(C)(C)OC(=O)c1cc2cc(NC(=O)C3CCc4nc(cc(=O)n34)-c3cc(Cl)ccc3-n3cnnn3)ccc2[nH]1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SICHUAN HAISCO PHARMACEUTICAL CO., LTD. US Patent					Assay Description The following method was used to test the in vitro inhibitory effect of the compounds of the present invention on the activity of human blood-coagula...				US Patent US10174020 (2019) BindingDB Entry DOI: 10.7270/Q2BK1FGM
					More data for this Ligand-Target Pair
Histamine H3 receptor (Mus musculus)	BDBM50386359 (CHEMBL2048581) Show SMILES FC1(F)CCN(CC1)c1nnc(s1)N1CCC(CC1)N1CCCCC1 Show InChI InChI=1S/C17H27F2N5S/c18-17(19)6-12-24(13-7-17)16-21-20-15(25-16)23-10-4-14(5-11-23)22-8-2-1-3-9-22/h14H,1-13H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]-N-alpha-methylhistamine from mouse recombinant histamine H3 receptor after 30 mins by scintillation counting				ACS Med Chem Lett 3: 198-202 (2012) Article DOI: 10.1021/ml200250t BindingDB Entry DOI: 10.7270/Q2736S0M
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50014323 (2-PHENYL-4H-BENZO[H]CHROMEN-4-ONE | 2-Phenyl-benzo...) Show SMILES O=c1cc(oc2c3ccccc3ccc12)-c1ccccc1 Show InChI InChI=1S/C19H12O2/c20-17-12-18(14-7-2-1-3-8-14)21-19-15-9-5-4-6-13(15)10-11-16(17)19/h1-12H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Xavier University of Louisiana Curated by ChEMBL					Assay Description Inhibition of human microsomal CYP1A2-dependent methoxyresorufin-O-demethylase activity by spectrofluorimetric analysis in presence of NADPH regenera...				J Med Chem 58: 6481-93 (2015) Article DOI: 10.1021/acs.jmedchem.5b00494 BindingDB Entry DOI: 10.7270/Q2183895
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histamine H3 receptor (Homo sapiens (Human))	BDBM50386362 (CHEMBL2048412) Show SMILES O=C1N(CCCN1c1ccccc1)c1nnc(s1)N1CCC(CC1)N1CCCCC1 Show InChI InChI=1S/C22H30N6OS/c29-22-27(19-8-3-1-4-9-19)14-7-15-28(22)21-24-23-20(30-21)26-16-10-18(11-17-26)25-12-5-2-6-13-25/h1,3-4,8-9,18H,2,5-7,10-17H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]-N-alpha-methylhistamine from human recombinant histamine H3 receptor after 30 mins by scintillation counting				ACS Med Chem Lett 3: 198-202 (2012) Article DOI: 10.1021/ml200250t BindingDB Entry DOI: 10.7270/Q2736S0M
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50113259 (CHEMBL3601433) Show SMILES Cc1cc2c(ccc3c2oc(cc3=O)-c2ccccc2)o1 Show InChI InChI=1S/C18H12O3/c1-11-9-14-16(20-11)8-7-13-15(19)10-17(21-18(13)14)12-5-3-2-4-6-12/h2-10H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Xavier University of Louisiana Curated by ChEMBL					Assay Description Inhibition of human microsomal CYP1A2-dependent methoxyresorufin-O-demethylase activity by spectrofluorimetric analysis in presence of NADPH regenera...				J Med Chem 58: 6481-93 (2015) Article DOI: 10.1021/acs.jmedchem.5b00494 BindingDB Entry DOI: 10.7270/Q2183895
					More data for this Ligand-Target Pair
Histamine H3 receptor (Mus musculus)	BDBM50386362 (CHEMBL2048412) Show SMILES O=C1N(CCCN1c1ccccc1)c1nnc(s1)N1CCC(CC1)N1CCCCC1 Show InChI InChI=1S/C22H30N6OS/c29-22-27(19-8-3-1-4-9-19)14-7-15-28(22)21-24-23-20(30-21)26-16-10-18(11-17-26)25-12-5-2-6-13-25/h1,3-4,8-9,18H,2,5-7,10-17H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]-N-alpha-methylhistamine from mouse recombinant histamine H3 receptor after 30 mins by scintillation counting				ACS Med Chem Lett 3: 198-202 (2012) Article DOI: 10.1021/ml200250t BindingDB Entry DOI: 10.7270/Q2736S0M
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50386363 (CHEMBL2048411) Show SMILES O=C1N(CCN1c1nnc(s1)N1CCC(CC1)N1CCCCC1)C1CCCC1 Show InChI InChI=1S/C20H32N6OS/c27-20-25(17-6-2-3-7-17)14-15-26(20)19-22-21-18(28-19)24-12-8-16(9-13-24)23-10-4-1-5-11-23/h16-17H,1-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	34	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]-N-alpha-methylhistamine from human recombinant histamine H3 receptor after 30 mins by scintillation counting				ACS Med Chem Lett 3: 198-202 (2012) Article DOI: 10.1021/ml200250t BindingDB Entry DOI: 10.7270/Q2736S0M
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50386346 (CHEMBL2048594) Show SMILES C1CCN(CC1)C1CCN(CC1)c1nnc(s1)N1CCOC(C1)c1ccccn1 Show InChI InChI=1S/C21H30N6OS/c1-4-10-25(11-5-1)17-7-12-26(13-8-17)20-23-24-21(29-20)27-14-15-28-19(16-27)18-6-2-3-9-22-18/h2-3,6,9,17,19H,1,4-5,7-8,10-16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	34	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]-N-alpha-methylhistamine from human recombinant histamine H3 receptor after 30 mins by scintillation counting				ACS Med Chem Lett 3: 198-202 (2012) Article DOI: 10.1021/ml200250t BindingDB Entry DOI: 10.7270/Q2736S0M
					More data for this Ligand-Target Pair
Histamine H3 receptor (Mus musculus)	BDBM50386354 (CHEMBL2048586) Show SMILES CC1CN(CC(C)O1)c1nnc(s1)N1CCC(CC1)N1CCCCC1 Show InChI InChI=1S/C18H31N5OS/c1-14-12-23(13-15(2)24-14)18-20-19-17(25-18)22-10-6-16(7-11-22)21-8-4-3-5-9-21/h14-16H,3-13H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]-N-alpha-methylhistamine from mouse recombinant histamine H3 receptor after 30 mins by scintillation counting				ACS Med Chem Lett 3: 198-202 (2012) Article DOI: 10.1021/ml200250t BindingDB Entry DOI: 10.7270/Q2736S0M
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50386357 (CHEMBL2048583) Show SMILES COC1CCCN(C1)c1nnc(s1)N1CCC(CC1)N1CCCCC1 Show InChI InChI=1S/C18H31N5OS/c1-24-16-6-5-11-23(14-16)18-20-19-17(25-18)22-12-7-15(8-13-22)21-9-3-2-4-10-21/h15-16H,2-14H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]-N-alpha-methylhistamine from human recombinant histamine H3 receptor after 30 mins by scintillation counting				ACS Med Chem Lett 3: 198-202 (2012) Article DOI: 10.1021/ml200250t BindingDB Entry DOI: 10.7270/Q2736S0M
					More data for this Ligand-Target Pair
Cytochrome P450 1A1 (Homo sapiens (Human))	BDBM50113261 (CHEMBL3601435) Show SMILES O=c1cc(oc2c3cccnc3ccc12)-c1ccccc1 Show InChI InChI=1S/C18H11NO2/c20-16-11-17(12-5-2-1-3-6-12)21-18-13-7-4-10-19-15(13)9-8-14(16)18/h1-11H	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Xavier University of Louisiana Curated by ChEMBL					Assay Description Inhibition of human microsomal CYP1A1-dependent ethoxyresorufin-O-deethylase activity by spectrofluorimetric analysis in presence of NADPH regenerati...				J Med Chem 58: 6481-93 (2015) Article DOI: 10.1021/acs.jmedchem.5b00494 BindingDB Entry DOI: 10.7270/Q2183895
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50113260 (CHEMBL3601434) Show SMILES Cc1cc2c(cc(O)c3c2oc(cc3=O)-c2ccccc2)o1 Show InChI InChI=1S/C18H12O4/c1-10-7-12-16(21-10)9-14(20)17-13(19)8-15(22-18(12)17)11-5-3-2-4-6-11/h2-9,20H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	44	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Xavier University of Louisiana Curated by ChEMBL					Assay Description Inhibition of human microsomal CYP1A2-dependent methoxyresorufin-O-demethylase activity by spectrofluorimetric analysis in presence of NADPH regenera...				J Med Chem 58: 6481-93 (2015) Article DOI: 10.1021/acs.jmedchem.5b00494 BindingDB Entry DOI: 10.7270/Q2183895
					More data for this Ligand-Target Pair
Histamine H3 receptor (Mus musculus)	BDBM50386352 (CHEMBL2048588) Show SMILES C1CCN(CC1)C1CCN(CC1)c1nnc(s1)N1CCC=C(C1)c1ncccn1 |c:23| Show InChI InChI=1S/C21H29N7S/c1-2-11-26(12-3-1)18-7-14-27(15-8-18)20-24-25-21(29-20)28-13-4-6-17(16-28)19-22-9-5-10-23-19/h5-6,9-10,18H,1-4,7-8,11-16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	44	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]-N-alpha-methylhistamine from mouse recombinant histamine H3 receptor after 30 mins by scintillation counting				ACS Med Chem Lett 3: 198-202 (2012) Article DOI: 10.1021/ml200250t BindingDB Entry DOI: 10.7270/Q2736S0M
					More data for this Ligand-Target Pair
Cytochrome P450 1A1 (Homo sapiens (Human))	BDBM50014323 (2-PHENYL-4H-BENZO[H]CHROMEN-4-ONE | 2-Phenyl-benzo...) Show SMILES O=c1cc(oc2c3ccccc3ccc12)-c1ccccc1 Show InChI InChI=1S/C19H12O2/c20-17-12-18(14-7-2-1-3-8-14)21-19-15-9-5-4-6-13(15)10-11-16(17)19/h1-12H	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	45	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Xavier University of Louisiana Curated by ChEMBL					Assay Description Inhibition of human microsomal CYP1A1-dependent ethoxyresorufin-O-deethylase activity by spectrofluorimetric analysis in presence of NADPH regenerati...				J Med Chem 58: 6481-93 (2015) Article DOI: 10.1021/acs.jmedchem.5b00494 BindingDB Entry DOI: 10.7270/Q2183895
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histamine H3 receptor (Mus musculus)	BDBM50386357 (CHEMBL2048583) Show SMILES COC1CCCN(C1)c1nnc(s1)N1CCC(CC1)N1CCCCC1 Show InChI InChI=1S/C18H31N5OS/c1-24-16-6-5-11-23(14-16)18-20-19-17(25-18)22-12-7-15(8-13-22)21-9-3-2-4-10-21/h15-16H,2-14H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	46	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]-N-alpha-methylhistamine from mouse recombinant histamine H3 receptor after 30 mins by scintillation counting				ACS Med Chem Lett 3: 198-202 (2012) Article DOI: 10.1021/ml200250t BindingDB Entry DOI: 10.7270/Q2736S0M
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50386356 (CHEMBL2048584) Show SMILES OC1CCCN(C1)c1nnc(s1)N1CCC(CC1)N1CCCCC1 Show InChI InChI=1S/C17H29N5OS/c23-15-5-4-10-22(13-15)17-19-18-16(24-17)21-11-6-14(7-12-21)20-8-2-1-3-9-20/h14-15,23H,1-13H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	46	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]-N-alpha-methylhistamine from human recombinant histamine H3 receptor after 30 mins by scintillation counting				ACS Med Chem Lett 3: 198-202 (2012) Article DOI: 10.1021/ml200250t BindingDB Entry DOI: 10.7270/Q2736S0M
					More data for this Ligand-Target Pair
Histamine H3 receptor (Mus musculus)	BDBM50333504 (1-(5-(1,4'-bipiperidin-1'-yl)-1,3,4-thiadiazol-2-y...) Show SMILES O=C(NC1CCCC1)Nc1nnc(s1)N1CCC(CC1)N1CCCCC1 Show InChI InChI=1S/C18H30N6OS/c25-16(19-14-6-2-3-7-14)20-17-21-22-18(26-17)24-12-8-15(9-13-24)23-10-4-1-5-11-23/h14-15H,1-13H2,(H2,19,20,21,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	47	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]-N-alpha-methylhistamine from mouse recombinant histamine H3 receptor after 30 mins by scintillation counting				ACS Med Chem Lett 3: 198-202 (2012) Article DOI: 10.1021/ml200250t BindingDB Entry DOI: 10.7270/Q2736S0M
					More data for this Ligand-Target Pair
Histamine H3 receptor (Mus musculus)	BDBM50386353 (CHEMBL2048587) Show SMILES C1CCN(CC1)C1CCN(CC1)c1nnc(s1)N1CCC=C(C1)c1ccccn1 |c:23| Show InChI InChI=1S/C22H30N6S/c1-4-12-26(13-5-1)19-9-15-27(16-10-19)21-24-25-22(29-21)28-14-6-7-18(17-28)20-8-2-3-11-23-20/h2-3,7-8,11,19H,1,4-6,9-10,12-17H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	49	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]-N-alpha-methylhistamine from mouse recombinant histamine H3 receptor after 30 mins by scintillation counting				ACS Med Chem Lett 3: 198-202 (2012) Article DOI: 10.1021/ml200250t BindingDB Entry DOI: 10.7270/Q2736S0M
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50333504 (1-(5-(1,4'-bipiperidin-1'-yl)-1,3,4-thiadiazol-2-y...) Show SMILES O=C(NC1CCCC1)Nc1nnc(s1)N1CCC(CC1)N1CCCCC1 Show InChI InChI=1S/C18H30N6OS/c25-16(19-14-6-2-3-7-14)20-17-21-22-18(26-17)24-12-8-15(9-13-24)23-10-4-1-5-11-23/h14-15H,1-13H2,(H2,19,20,21,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	49	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]-N-alpha-methylhistamine from human recombinant histamine H3 receptor after 30 mins by scintillation counting				ACS Med Chem Lett 3: 198-202 (2012) Article DOI: 10.1021/ml200250t BindingDB Entry DOI: 10.7270/Q2736S0M
					More data for this Ligand-Target Pair
Cytochrome P450 1B1 (Homo sapiens (Human))	BDBM50432677 (CHEMBL2347756) Show SMILES O=c1cc(oc2c3C=CCOc3ccc12)-c1ccccc1 |c:7| Show InChI InChI=1S/C18H12O3/c19-15-11-17(12-5-2-1-3-6-12)21-18-13(15)8-9-16-14(18)7-4-10-20-16/h1-9,11H,10H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	53	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Xavier University of Louisiana Curated by ChEMBL					Assay Description Inhibition of human microsomal CYP1B1-dependent ethoxyresorufin-O-deethylase activity by spectrofluorimetric analysis in presence of NADPH regenerati...				J Med Chem 58: 6481-93 (2015) Article DOI: 10.1021/acs.jmedchem.5b00494 BindingDB Entry DOI: 10.7270/Q2183895
					More data for this Ligand-Target Pair
Histamine H3 receptor (Mus musculus)	BDBM50386363 (CHEMBL2048411) Show SMILES O=C1N(CCN1c1nnc(s1)N1CCC(CC1)N1CCCCC1)C1CCCC1 Show InChI InChI=1S/C20H32N6OS/c27-20-25(17-6-2-3-7-17)14-15-26(20)19-22-21-18(28-19)24-12-8-16(9-13-24)23-10-4-1-5-11-23/h16-17H,1-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	53	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]-N-alpha-methylhistamine from mouse recombinant histamine H3 receptor after 30 mins by scintillation counting				ACS Med Chem Lett 3: 198-202 (2012) Article DOI: 10.1021/ml200250t BindingDB Entry DOI: 10.7270/Q2736S0M
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50386354 (CHEMBL2048586) Show SMILES CC1CN(CC(C)O1)c1nnc(s1)N1CCC(CC1)N1CCCCC1 Show InChI InChI=1S/C18H31N5OS/c1-14-12-23(13-15(2)24-14)18-20-19-17(25-18)22-10-6-16(7-11-22)21-8-4-3-5-9-21/h14-16H,3-13H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	53	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]-N-alpha-methylhistamine from human recombinant histamine H3 receptor after 30 mins by scintillation counting				ACS Med Chem Lett 3: 198-202 (2012) Article DOI: 10.1021/ml200250t BindingDB Entry DOI: 10.7270/Q2736S0M
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50386349 (CHEMBL2048591) Show SMILES OC1(CCCN(C1)c1nnc(s1)N1CCC(CC1)N1CCCCC1)c1ccccn1 Show InChI InChI=1S/C22H32N6OS/c29-22(19-7-2-3-11-23-19)10-6-14-28(17-22)21-25-24-20(30-21)27-15-8-18(9-16-27)26-12-4-1-5-13-26/h2-3,7,11,18,29H,1,4-6,8-10,12-17H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	53	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]-N-alpha-methylhistamine from human recombinant histamine H3 receptor after 30 mins by scintillation counting				ACS Med Chem Lett 3: 198-202 (2012) Article DOI: 10.1021/ml200250t BindingDB Entry DOI: 10.7270/Q2736S0M
					More data for this Ligand-Target Pair
Histamine H3 receptor (Mus musculus)	BDBM50386350 (CHEMBL2048590) Show SMILES COC1(CCCN(C1)c1nnc(s1)N1CCC(CC1)N1CCCCC1)c1ccccn1 Show InChI InChI=1S/C23H34N6OS/c1-30-23(20-8-3-4-12-24-20)11-7-15-29(18-23)22-26-25-21(31-22)28-16-9-19(10-17-28)27-13-5-2-6-14-27/h3-4,8,12,19H,2,5-7,9-11,13-18H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt 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
TBA Curated by ChEMBL					Assay Description Displacement of [3H]-N-alpha-methylhistamine from mouse recombinant histamine H3 receptor after 30 mins by scintillation counting				ACS Med Chem Lett 3: 198-202 (2012) Article DOI: 10.1021/ml200250t BindingDB Entry DOI: 10.7270/Q2736S0M
					More data for this Ligand-Target Pair
Histamine H3 receptor (Mus musculus)	BDBM50386349 (CHEMBL2048591) Show SMILES OC1(CCCN(C1)c1nnc(s1)N1CCC(CC1)N1CCCCC1)c1ccccn1 Show InChI InChI=1S/C22H32N6OS/c29-22(19-7-2-3-11-23-19)10-6-14-28(17-22)21-25-24-20(30-21)27-15-8-18(9-16-27)26-12-4-1-5-13-26/h2-3,7,11,18,29H,1,4-6,8-10,12-17H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	55	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]-N-alpha-methylhistamine from mouse recombinant histamine H3 receptor after 30 mins by scintillation counting				ACS Med Chem Lett 3: 198-202 (2012) Article DOI: 10.1021/ml200250t BindingDB Entry DOI: 10.7270/Q2736S0M
					More data for this Ligand-Target Pair
Histamine H3 receptor (Mus musculus)	BDBM50386355 (CHEMBL2048585) Show SMILES FC1CCCN(C1)c1nnc(s1)N1CCC(CC1)N1CCCCC1 Show InChI InChI=1S/C17H28FN5S/c18-14-5-4-10-23(13-14)17-20-19-16(24-17)22-11-6-15(7-12-22)21-8-2-1-3-9-21/h14-15H,1-13H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	56	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]-N-alpha-methylhistamine from mouse recombinant histamine H3 receptor after 30 mins by scintillation counting				ACS Med Chem Lett 3: 198-202 (2012) Article DOI: 10.1021/ml200250t BindingDB Entry DOI: 10.7270/Q2736S0M
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50432677 (CHEMBL2347756) Show SMILES O=c1cc(oc2c3C=CCOc3ccc12)-c1ccccc1 |c:7| Show InChI InChI=1S/C18H12O3/c19-15-11-17(12-5-2-1-3-6-12)21-18-13(15)8-9-16-14(18)7-4-10-20-16/h1-9,11H,10H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	58	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Xavier University of Louisiana Curated by ChEMBL					Assay Description Inhibition of human microsomal CYP1A2-dependent methoxyresorufin-O-demethylase activity by spectrofluorimetric analysis in presence of NADPH regenera...				J Med Chem 58: 6481-93 (2015) Article DOI: 10.1021/acs.jmedchem.5b00494 BindingDB Entry DOI: 10.7270/Q2183895
					More data for this Ligand-Target Pair

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