Compile Data Set for Download or QSAR

Found 20 hits with Last Name = 'medina-hernández' and Initial = 'mj'   

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 H1 receptor (RAT)	BDBM50079527 ((3E)-3-dibenzo[b,e]oxepin-11(6H)-ylidene-N,N-dimet...) Show SMILES CN(C)CC\C=C1\c2ccccc2COc2ccccc12 Show InChI InChI=1S/C19H21NO/c1-20(2)13-7-11-17-16-9-4-3-8-15(16)14-21-19-12-6-5-10-18(17)19/h3-6,8-12H,7,13-14H2,1-2H3/b17-11-	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	0.00300	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Valencia Curated by ChEMBL					Assay Description Compound tested for its inhibitory activity against Histamine H1 receptor				J Med Chem 42: 3154-62 (1999) Article DOI: 10.1021/jm9910369 BindingDB Entry DOI: 10.7270/Q2N0176G
					More data for this Ligand-Target Pair
Histamine H1 receptor (RAT)	BDBM31005 (2-methyl-1,2,3,4,10,14b-hexahydrodibenzo[c,f]pyraz...) Show SMILES Cl.CN1CCN2C(C1)c1ccccc1Cc1ccccc21 Show InChI InChI=1S/C18H20N2.ClH/c1-19-10-11-20-17-9-5-3-7-15(17)12-14-6-2-4-8-16(14)18(20)13-19;/h2-9,18H,10-13H2,1H3;1H	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.00600	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Valencia Curated by ChEMBL					Assay Description Compound tested for its inhibitory activity against Histamine H1 receptor				J Med Chem 42: 3154-62 (1999) Article DOI: 10.1021/jm9910369 BindingDB Entry DOI: 10.7270/Q2N0176G
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Rattus norvegicus (Rat))	BDBM50079527 ((3E)-3-dibenzo[b,e]oxepin-11(6H)-ylidene-N,N-dimet...) Show SMILES CN(C)CC\C=C1\c2ccccc2COc2ccccc12 Show InChI InChI=1S/C19H21NO/c1-20(2)13-7-11-17-16-9-4-3-8-15(16)14-21-19-12-6-5-10-18(17)19/h3-6,8-12H,7,13-14H2,1-2H3/b17-11-	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	0.0100	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Valencia Curated by ChEMBL					Assay Description Compound was tested for its inhibitory activity against Alpha-1 adrenergic receptor				J Med Chem 42: 3154-62 (1999) Article DOI: 10.1021/jm9910369 BindingDB Entry DOI: 10.7270/Q2N0176G
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Rattus norvegicus (Rat))	BDBM50020712 (10,11-dihydro-5-(gamma-dimethylaminopropylidene)-5...) Show SMILES [#6]-[#7](-[#6])-[#6]-[#6]\[#6]=[#6]-1/c2ccccc2-[#6]-[#6]-c2ccccc-12 Show InChI InChI=1S/C20H23N/c1-21(2)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20/h3-6,8-12H,7,13-15H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	0.0200	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Valencia Curated by ChEMBL					Assay Description Compound was tested for its inhibitory activity against Alpha-1 adrenergic receptor				J Med Chem 42: 3154-62 (1999) Article DOI: 10.1021/jm9910369 BindingDB Entry DOI: 10.7270/Q2N0176G
					More data for this Ligand-Target Pair
Histamine H1 receptor (RAT)	BDBM50020712 (10,11-dihydro-5-(gamma-dimethylaminopropylidene)-5...) Show SMILES [#6]-[#7](-[#6])-[#6]-[#6]\[#6]=[#6]-1/c2ccccc2-[#6]-[#6]-c2ccccc-12 Show InChI InChI=1S/C20H23N/c1-21(2)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20/h3-6,8-12H,7,13-15H2,1-2H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	0.0200	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Valencia Curated by ChEMBL					Assay Description Compound tested for its inhibitory activity against Histamine H1 receptor				J Med Chem 42: 3154-62 (1999) Article DOI: 10.1021/jm9910369 BindingDB Entry DOI: 10.7270/Q2N0176G
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Rattus norvegicus (Rat))	BDBM112777 (NORTRIPTYLINE | US8629135, SW-02) Show SMILES [#6]-[#7]-[#6]-[#6]\[#6]=[#6]-1/c2ccccc2-[#6]-[#6]-c2ccccc-12 Show InChI InChI=1S/C19H21N/c1-20-14-6-11-19-17-9-4-2-7-15(17)12-13-16-8-3-5-10-18(16)19/h2-5,7-11,20H,6,12-14H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	0.0400	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Valencia Curated by ChEMBL					Assay Description Compound was tested for its inhibitory activity against Alpha-1 adrenergic receptor				J Med Chem 42: 3154-62 (1999) Article DOI: 10.1021/jm9910369 BindingDB Entry DOI: 10.7270/Q2N0176G
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Rattus norvegicus (Rat))	BDBM77970 (3-(2-chloranyl-5,6-dihydrobenzo[b][1]benzazepin-11...) Show SMILES CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc12 Show InChI InChI=1S/C19H23ClN2/c1-21(2)12-5-13-22-18-7-4-3-6-15(18)8-9-16-10-11-17(20)14-19(16)22/h3-4,6-7,10-11,14H,5,8-9,12-13H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	0.0400	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Valencia Curated by ChEMBL					Assay Description Compound was tested for its inhibitory activity against Alpha-1 adrenergic receptor				J Med Chem 42: 3154-62 (1999) Article DOI: 10.1021/jm9910369 BindingDB Entry DOI: 10.7270/Q2N0176G
					More data for this Ligand-Target Pair
Histamine H1 receptor (RAT)	BDBM112777 (NORTRIPTYLINE | US8629135, SW-02) Show SMILES [#6]-[#7]-[#6]-[#6]\[#6]=[#6]-1/c2ccccc2-[#6]-[#6]-c2ccccc-12 Show InChI InChI=1S/C19H21N/c1-20-14-6-11-19-17-9-4-2-7-15(17)12-13-16-8-3-5-10-18(16)19/h2-5,7-11,20H,6,12-14H2,1H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	0.0500	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Valencia Curated by ChEMBL					Assay Description Compound tested for its inhibitory activity against Histamine H1 receptor				J Med Chem 42: 3154-62 (1999) Article DOI: 10.1021/jm9910369 BindingDB Entry DOI: 10.7270/Q2N0176G
					More data for this Ligand-Target Pair
Histamine H1 receptor (RAT)	BDBM50010859 (CHEMBL11 | IMIPRAMINE HYDROCHLORIDE | IMIPRAMINE P...) Show SMILES CN(C)CCCN1c2ccccc2CCc2ccccc12 Show InChI InChI=1S/C19H24N2/c1-20(2)14-7-15-21-18-10-5-3-8-16(18)12-13-17-9-4-6-11-19(17)21/h3-6,8-11H,7,12-15H2,1-2H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	0.0600	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Valencia Curated by ChEMBL					Assay Description Compound tested for its inhibitory activity against Histamine H1 receptor				J Med Chem 42: 3154-62 (1999) Article DOI: 10.1021/jm9910369 BindingDB Entry DOI: 10.7270/Q2N0176G
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Rattus norvegicus (Rat))	BDBM31005 (2-methyl-1,2,3,4,10,14b-hexahydrodibenzo[c,f]pyraz...) Show SMILES Cl.CN1CCN2C(C1)c1ccccc1Cc1ccccc21 Show InChI InChI=1S/C18H20N2.ClH/c1-19-10-11-20-17-9-5-3-7-15(17)12-14-6-2-4-8-16(14)18(20)13-19;/h2-9,18H,10-13H2,1H3;1H	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0700	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Valencia Curated by ChEMBL					Assay Description Compound was tested for its inhibitory activity against Alpha-1 adrenergic receptor				J Med Chem 42: 3154-62 (1999) Article DOI: 10.1021/jm9910369 BindingDB Entry DOI: 10.7270/Q2N0176G
					More data for this Ligand-Target Pair
Histamine H1 receptor (RAT)	BDBM77970 (3-(2-chloranyl-5,6-dihydrobenzo[b][1]benzazepin-11...) Show SMILES CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc12 Show InChI InChI=1S/C19H23ClN2/c1-21(2)12-5-13-22-18-7-4-3-6-15(18)8-9-16-10-11-17(20)14-19(16)22/h3-4,6-7,10-11,14H,5,8-9,12-13H2,1-2H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Valencia Curated by ChEMBL					Assay Description Compound tested for its inhibitory activity against Histamine H1 receptor				J Med Chem 42: 3154-62 (1999) Article DOI: 10.1021/jm9910369 BindingDB Entry DOI: 10.7270/Q2N0176G
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Rattus norvegicus (Rat))	BDBM35229 (3-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-N-met...) Show SMILES CNCCCN1c2ccccc2CCc2ccccc12 Show InChI InChI=1S/C18H22N2/c1-19-13-6-14-20-17-9-4-2-7-15(17)11-12-16-8-3-5-10-18(16)20/h2-5,7-10,19H,6,11-14H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	0.25	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Valencia Curated by ChEMBL					Assay Description Compound was tested for its inhibitory activity against Alpha-1 adrenergic receptor				J Med Chem 42: 3154-62 (1999) Article DOI: 10.1021/jm9910369 BindingDB Entry DOI: 10.7270/Q2N0176G
					More data for this Ligand-Target Pair
Histamine H1 receptor (RAT)	BDBM35229 (3-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-N-met...) Show SMILES CNCCCN1c2ccccc2CCc2ccccc12 Show InChI InChI=1S/C18H22N2/c1-19-13-6-14-20-17-9-4-2-7-15(17)11-12-16-8-3-5-10-18(16)20/h2-5,7-10,19H,6,11-14H2,1H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Valencia Curated by ChEMBL					Assay Description Compound tested for its inhibitory activity against Histamine H1 receptor				J Med Chem 42: 3154-62 (1999) Article DOI: 10.1021/jm9910369 BindingDB Entry DOI: 10.7270/Q2N0176G
					More data for this Ligand-Target Pair
Histamine H2 receptor (Cavia porcellus (domestic guinea pig))	BDBM50020712 (10,11-dihydro-5-(gamma-dimethylaminopropylidene)-5...) Show SMILES [#6]-[#7](-[#6])-[#6]-[#6]\[#6]=[#6]-1/c2ccccc2-[#6]-[#6]-c2ccccc-12 Show InChI InChI=1S/C20H23N/c1-21(2)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20/h3-6,8-12H,7,13-15H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	660	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Valencia Curated by ChEMBL					Assay Description Inhibitory activity against brain adenylate cyclase Histamine H2 receptor				J Med Chem 42: 3154-62 (1999) Article DOI: 10.1021/jm9910369 BindingDB Entry DOI: 10.7270/Q2N0176G
					More data for this Ligand-Target Pair
Histamine H2 receptor (Cavia porcellus (domestic guinea pig))	BDBM77970 (3-(2-chloranyl-5,6-dihydrobenzo[b][1]benzazepin-11...) Show SMILES CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc12 Show InChI InChI=1S/C19H23ClN2/c1-21(2)12-5-13-22-18-7-4-3-6-15(18)8-9-16-10-11-17(20)14-19(16)22/h3-4,6-7,10-11,14H,5,8-9,12-13H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	720	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Valencia Curated by ChEMBL					Assay Description Inhibitory activity against brain adenylate cyclase Histamine H2 receptor				J Med Chem 42: 3154-62 (1999) Article DOI: 10.1021/jm9910369 BindingDB Entry DOI: 10.7270/Q2N0176G
					More data for this Ligand-Target Pair
Histamine H2 receptor (Cavia porcellus (domestic guinea pig))	BDBM31005 (2-methyl-1,2,3,4,10,14b-hexahydrodibenzo[c,f]pyraz...) Show SMILES Cl.CN1CCN2C(C1)c1ccccc1Cc1ccccc21 Show InChI InChI=1S/C18H20N2.ClH/c1-19-10-11-20-17-9-5-3-7-15(17)12-14-6-2-4-8-16(14)18(20)13-19;/h2-9,18H,10-13H2,1H3;1H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	880	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Valencia Curated by ChEMBL					Assay Description Inhibitory activity against brain adenylate cyclase Histamine H2 receptor				J Med Chem 42: 3154-62 (1999) Article DOI: 10.1021/jm9910369 BindingDB Entry DOI: 10.7270/Q2N0176G
					More data for this Ligand-Target Pair
Histamine H2 receptor (Cavia porcellus (domestic guinea pig))	BDBM50079527 ((3E)-3-dibenzo[b,e]oxepin-11(6H)-ylidene-N,N-dimet...) Show SMILES CN(C)CC\C=C1\c2ccccc2COc2ccccc12 Show InChI InChI=1S/C19H21NO/c1-20(2)13-7-11-17-16-9-4-3-8-15(16)14-21-19-12-6-5-10-18(17)19/h3-6,8-12H,7,13-14H2,1-2H3/b17-11-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Valencia Curated by ChEMBL					Assay Description Inhibitory activity against brain adenylate cyclase Histamine H2 receptor				J Med Chem 42: 3154-62 (1999) Article DOI: 10.1021/jm9910369 BindingDB Entry DOI: 10.7270/Q2N0176G
					More data for this Ligand-Target Pair
Histamine H2 receptor (Cavia porcellus (domestic guinea pig))	BDBM50010859 (CHEMBL11 | IMIPRAMINE HYDROCHLORIDE | IMIPRAMINE P...) Show SMILES CN(C)CCCN1c2ccccc2CCc2ccccc12 Show InChI InChI=1S/C19H24N2/c1-20(2)14-7-15-21-18-10-5-3-8-16(18)12-13-17-9-4-6-11-19(17)21/h3-6,8-11H,7,12-15H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Valencia Curated by ChEMBL					Assay Description Inhibitory activity against brain adenylate cyclase Histamine H2 receptor				J Med Chem 42: 3154-62 (1999) Article DOI: 10.1021/jm9910369 BindingDB Entry DOI: 10.7270/Q2N0176G
					More data for this Ligand-Target Pair
Histamine H2 receptor (Cavia porcellus (domestic guinea pig))	BDBM35229 (3-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-N-met...) Show SMILES CNCCCN1c2ccccc2CCc2ccccc12 Show InChI InChI=1S/C18H22N2/c1-19-13-6-14-20-17-9-4-2-7-15(17)11-12-16-8-3-5-10-18(16)20/h2-5,7-10,19H,6,11-14H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	3.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Valencia Curated by ChEMBL					Assay Description Inhibitory activity against brain adenylate cyclase Histamine H2 receptor				J Med Chem 42: 3154-62 (1999) Article DOI: 10.1021/jm9910369 BindingDB Entry DOI: 10.7270/Q2N0176G
					More data for this Ligand-Target Pair
Histamine H2 receptor (Cavia porcellus (domestic guinea pig))	BDBM112777 (NORTRIPTYLINE | US8629135, SW-02) Show SMILES [#6]-[#7]-[#6]-[#6]\[#6]=[#6]-1/c2ccccc2-[#6]-[#6]-c2ccccc-12 Show InChI InChI=1S/C19H21N/c1-20-14-6-11-19-17-9-4-2-7-15(17)12-13-16-8-3-5-10-18(16)19/h2-5,7-11,20H,6,12-14H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Valencia Curated by ChEMBL					Assay Description Inhibitory activity against brain adenylate cyclase Histamine H2 receptor				J Med Chem 42: 3154-62 (1999) Article DOI: 10.1021/jm9910369 BindingDB Entry DOI: 10.7270/Q2N0176G
					More data for this Ligand-Target Pair