Compile Data Set for Download or QSAR

Found 13 hits Enz. Inhib. hit(s) with all data for entry = 7218   

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))	BDBM60636 (US9138431, S-NORKETOTIFEN (SNORK)) Show SMILES [#8]-[#6@@H]-1-[#6]-c2ccccc2\[#6](-c2ccsc-12)=[#6]-1/[#6]-[#6]-[#7]-[#6]-[#6]-1 |r| Show InChI InChI=1S/C18H19NOS/c20-16-11-13-3-1-2-4-14(13)17(12-5-8-19-9-6-12)15-7-10-21-18(15)16/h1-4,7,10,16,19-20H,5-6,8-9,11H2/t16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
BRIDGE PHARMA, INC. US Patent					Assay Description Histamine H-4 Receptor Binding Assay				US Patent US9138431 (2015) BindingDB Entry DOI: 10.7270/Q26W98WT
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM181150 (US9138431, R-NORKETOTIFEN (RNORK) | US9138431, RS-...) Show SMILES O=[#6]-1-[#6]-c2ccccc2\[#6](-c2ccsc-12)=[#6]-1/[#6]-[#6]-[#7]-[#6]-[#6]-1 Show InChI InChI=1S/C18H17NOS/c20-16-11-13-3-1-2-4-14(13)17(12-5-8-19-9-6-12)15-7-10-21-18(15)16/h1-4,7,10,19H,5-6,8-9,11H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
BRIDGE PHARMA, INC. US Patent					Assay Description Histamine H-4 Receptor Binding Assay				US Patent US9138431 (2015) BindingDB Entry DOI: 10.7270/Q26W98WT
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM60637 (US9138431, R-NORKETOTIFEN (SNORK)) Show SMILES [#8]-[#6@H]-1-[#6]-c2ccccc2\[#6](-c2ccsc-12)=[#6]-1/[#6]-[#6]-[#7]-[#6]-[#6]-1 |r| Show InChI InChI=1S/C18H19NOS/c20-16-11-13-3-1-2-4-14(13)17(12-5-8-19-9-6-12)15-7-10-21-18(15)16/h1-4,7,10,16,19-20H,5-6,8-9,11H2/t16-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
BRIDGE PHARMA, INC. US Patent					Assay Description Histamine H-4 Receptor Binding Assay				US Patent US9138431 (2015) BindingDB Entry DOI: 10.7270/Q26W98WT
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM94597 ((Z)-2-butenedioate;10-(1-methyl-4-piperidinylidene...) Show SMILES [#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1/c2ccsc2-[#6](=O)-[#6]-c2ccccc-12 Show InChI InChI=1S/C19H19NOS/c1-20-9-6-13(7-10-20)18-15-5-3-2-4-14(15)12-17(21)19-16(18)8-11-22-19/h2-5,8,11H,6-7,9-10,12H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid UniChem Similars	DrugBank US Patent	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
BRIDGE PHARMA, INC. US Patent					Assay Description Affinities of the test compounds for peripheral human histamine H-4-receptors were assessed using receptor-binding assays. The specific binding of th...				US Patent US9138431 (2015) BindingDB Entry DOI: 10.7270/Q26W98WT
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM181150 (US9138431, R-NORKETOTIFEN (RNORK) | US9138431, RS-...) Show SMILES O=[#6]-1-[#6]-c2ccccc2\[#6](-c2ccsc-12)=[#6]-1/[#6]-[#6]-[#7]-[#6]-[#6]-1 Show InChI InChI=1S/C18H17NOS/c20-16-11-13-3-1-2-4-14(13)17(12-5-8-19-9-6-12)15-7-10-21-18(15)16/h1-4,7,10,19H,5-6,8-9,11H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
BRIDGE PHARMA, INC. US Patent					Assay Description Affinities of the test compounds for peripheral human histamine H-4-receptors were assessed using receptor-binding assays. The specific binding of th...				US Patent US9138431 (2015) BindingDB Entry DOI: 10.7270/Q26W98WT
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM50017674 ((2-Benzhydryloxy-ethyl)-dimethyl-amine | 2-(benzhy...) Show SMILES CN(C)CCOC(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C17H21NO/c1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17H,13-14H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	US Patent	n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
BRIDGE PHARMA, INC. US Patent					Assay Description Histamine H-4 Receptor Binding Assay				US Patent US9138431 (2015) BindingDB Entry DOI: 10.7270/Q26W98WT
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50073179 (8-Chloro-11-piperidin-4-ylidene-6,11-dihydro-5H-be...) Show SMILES Clc1ccc2c(-[#6]-[#6]-c3cccnc3\[#6]-2=[#6]-2/[#6]-[#6]-[#7]-[#6]-[#6]-2)c1 Show InChI InChI=1S/C19H19ClN2/c20-16-5-6-17-15(12-16)4-3-14-2-1-9-22-19(14)18(17)13-7-10-21-11-8-13/h1-2,5-6,9,12,21H,3-4,7-8,10-11H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank US Patent	n/a	n/a	1.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
BRIDGE PHARMA, INC. US Patent					Assay Description Affinities of the test compounds for peripheral human histamine H-4-receptors were assessed using receptor-binding assays. The specific binding of th...				US Patent US9138431 (2015) BindingDB Entry DOI: 10.7270/Q26W98WT
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM50073179 (8-Chloro-11-piperidin-4-ylidene-6,11-dihydro-5H-be...) Show SMILES Clc1ccc2c(-[#6]-[#6]-c3cccnc3\[#6]-2=[#6]-2/[#6]-[#6]-[#7]-[#6]-[#6]-2)c1 Show InChI InChI=1S/C19H19ClN2/c20-16-5-6-17-15(12-16)4-3-14-2-1-9-22-19(14)18(17)13-7-10-21-11-8-13/h1-2,5-6,9,12,21H,3-4,7-8,10-11H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	US Patent	n/a	n/a	1.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
BRIDGE PHARMA, INC. US Patent					Assay Description Histamine H-4 Receptor Binding Assay				US Patent US9138431 (2015) BindingDB Entry DOI: 10.7270/Q26W98WT
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM60637 (US9138431, R-NORKETOTIFEN (SNORK)) Show SMILES [#8]-[#6@H]-1-[#6]-c2ccccc2\[#6](-c2ccsc-12)=[#6]-1/[#6]-[#6]-[#7]-[#6]-[#6]-1 |r| Show InChI InChI=1S/C18H19NOS/c20-16-11-13-3-1-2-4-14(13)17(12-5-8-19-9-6-12)15-7-10-21-18(15)16/h1-4,7,10,16,19-20H,5-6,8-9,11H2/t16-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
BRIDGE PHARMA, INC. US Patent					Assay Description Affinities of the test compounds for peripheral human histamine H-4-receptors were assessed using receptor-binding assays. The specific binding of th...				US Patent US9138431 (2015) BindingDB Entry DOI: 10.7270/Q26W98WT
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM94597 ((Z)-2-butenedioate;10-(1-methyl-4-piperidinylidene...) Show SMILES [#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1/c2ccsc2-[#6](=O)-[#6]-c2ccccc-12 Show InChI InChI=1S/C19H19NOS/c1-20-9-6-13(7-10-20)18-15-5-3-2-4-14(15)12-17(21)19-16(18)8-11-22-19/h2-5,8,11H,6-7,9-10,12H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
BRIDGE PHARMA, INC. US Patent					Assay Description Histamine H-4 Receptor Binding Assay				US Patent US9138431 (2015) BindingDB Entry DOI: 10.7270/Q26W98WT
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM60636 (US9138431, S-NORKETOTIFEN (SNORK)) Show SMILES [#8]-[#6@@H]-1-[#6]-c2ccccc2\[#6](-c2ccsc-12)=[#6]-1/[#6]-[#6]-[#7]-[#6]-[#6]-1 |r| Show InChI InChI=1S/C18H19NOS/c20-16-11-13-3-1-2-4-14(13)17(12-5-8-19-9-6-12)15-7-10-21-18(15)16/h1-4,7,10,16,19-20H,5-6,8-9,11H2/t16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
BRIDGE PHARMA, INC. US Patent					Assay Description Affinities of the test compounds for peripheral human histamine H-4-receptors were assessed using receptor-binding assays. The specific binding of th...				US Patent US9138431 (2015) BindingDB Entry DOI: 10.7270/Q26W98WT
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50017674 ((2-Benzhydryloxy-ethyl)-dimethyl-amine | 2-(benzhy...) Show SMILES CN(C)CCOC(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C17H21NO/c1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17H,13-14H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank US Patent	n/a	n/a	8.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
BRIDGE PHARMA, INC. US Patent					Assay Description Affinities of the test compounds for peripheral human histamine H-4-receptors were assessed using receptor-binding assays. The specific binding of th...				US Patent US9138431 (2015) BindingDB Entry DOI: 10.7270/Q26W98WT
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM22876 (CHEMBL998 | Claritin | Loratadine | Sch 29851 | US...) Show SMILES [#6]-[#6]-[#8]-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1\c2ccc(Cl)cc2-[#6]-[#6]-c2cccnc-12 Show InChI InChI=1S/C22H23ClN2O2/c1-2-27-22(26)25-12-9-15(10-13-25)20-19-8-7-18(23)14-17(19)6-5-16-4-3-11-24-21(16)20/h3-4,7-8,11,14H,2,5-6,9-10,12-13H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	DrugBank US Patent	n/a	n/a	1.50E+6	n/a	n/a	n/a	n/a	n/a	n/a
BRIDGE PHARMA, INC. US Patent					Assay Description Affinities of the test compounds for peripheral human histamine H-4-receptors were assessed using receptor-binding assays. The specific binding of th...				US Patent US9138431 (2015) BindingDB Entry DOI: 10.7270/Q26W98WT
					More data for this Ligand-Target Pair