Compile Data Set for Download or QSAR

Found 16 hits with Last Name = 'brown' and Initial = 'pn'   

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
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50338821 (2-(2-aminothiazol-4-yl)-N-(4-(((2S,5R)-5-((R)-hydr...) Show SMILES Nc1nc(CC(=O)Nc2ccc(C[C@@H]3CC[C@@H](N3)[C@H](O)c3ccccc3)cc2)cs1 |r| Show InChI InChI=1S/C23H26N4O2S/c24-23-27-19(14-30-23)13-21(28)26-17-8-6-15(7-9-17)12-18-10-11-20(25-18)22(29)16-4-2-1-3-5-16/h1-9,14,18,20,22,25,29H,10-13H2,(H2,24,27)(H,26,28)/t18-,20+,22+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck and Co. Curated by ChEMBL					Assay Description Inhibition of CYP2D6 in human liver microsomes assessed as dextromethorphan O-demethylation				J Med Chem 57: 1437-53 (2014) Article DOI: 10.1021/jm4017224 BindingDB Entry DOI: 10.7270/Q25M6767
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50448786 (CHEMBL3128194) Show SMILES Nc1nc2[C@@H](CCc2s1)C(=O)Nc1ccc(C[C@@H]2CC[C@@H](N2)[C@H](O)c2ccccc2)cc1 |r| Show InChI InChI=1S/C25H28N4O2S/c26-25-29-22-19(11-13-21(22)32-25)24(31)28-17-8-6-15(7-9-17)14-18-10-12-20(27-18)23(30)16-4-2-1-3-5-16/h1-9,18-20,23,27,30H,10-14H2,(H2,26,29)(H,28,31)/t18-,19+,20+,23+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.83E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck and Co. Curated by ChEMBL					Assay Description Inhibition of CYP2D6 in human liver microsomes assessed as dextromethorphan O-demethylation				J Med Chem 57: 1437-53 (2014) Article DOI: 10.1021/jm4017224 BindingDB Entry DOI: 10.7270/Q25M6767
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50448788 (CHEMBL3128180) Show SMILES Cc1nc2[C@@H](CCc2s1)C(=O)Nc1ccc(C[C@@H]2CC[C@@H](N2)[C@H](O)c2cccnc2)cc1 |r| Show InChI InChI=1S/C25H28N4O2S/c1-15-27-23-20(9-11-22(23)32-15)25(31)29-18-6-4-16(5-7-18)13-19-8-10-21(28-19)24(30)17-3-2-12-26-14-17/h2-7,12,14,19-21,24,28,30H,8-11,13H2,1H3,(H,29,31)/t19-,20+,21+,24+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.72E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck and Co. Curated by ChEMBL					Assay Description Inhibition of CYP2C9 in human liver microsomes assessed as diclofenac alpha'-hydroxylation				J Med Chem 57: 1437-53 (2014) Article DOI: 10.1021/jm4017224 BindingDB Entry DOI: 10.7270/Q25M6767
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50448787 (CHEMBL3128178) Show SMILES O[C@@H]([C@H]1CC[C@@H](Cc2ccc(NC(=O)[C@@H]3CCc4scnc34)cc2)N1)c1cccnc1 |r| Show InChI InChI=1S/C24H26N4O2S/c29-23(16-2-1-11-25-13-16)20-9-7-18(27-20)12-15-3-5-17(6-4-15)28-24(30)19-8-10-21-22(19)26-14-31-21/h1-6,11,13-14,18-20,23,27,29H,7-10,12H2,(H,28,30)/t18-,19+,20+,23+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.88E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck and Co. Curated by ChEMBL					Assay Description Inhibition of CYP2D6 in human liver microsomes assessed as dextromethorphan O-demethylation				J Med Chem 57: 1437-53 (2014) Article DOI: 10.1021/jm4017224 BindingDB Entry DOI: 10.7270/Q25M6767
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50448788 (CHEMBL3128180) Show SMILES Cc1nc2[C@@H](CCc2s1)C(=O)Nc1ccc(C[C@@H]2CC[C@@H](N2)[C@H](O)c2cccnc2)cc1 |r| Show InChI InChI=1S/C25H28N4O2S/c1-15-27-23-20(9-11-22(23)32-15)25(31)29-18-6-4-16(5-7-18)13-19-8-10-21(28-19)24(30)17-3-2-12-26-14-17/h2-7,12,14,19-21,24,28,30H,8-11,13H2,1H3,(H,29,31)/t19-,20+,21+,24+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Merck and Co. Curated by ChEMBL					Assay Description Inhibition of CYP2D6 in human liver microsomes assessed as dextromethorphan O-demethylation				J Med Chem 57: 1437-53 (2014) Article DOI: 10.1021/jm4017224 BindingDB Entry DOI: 10.7270/Q25M6767
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50448789 (CHEMBL3128188) Show SMILES O[C@@H]([C@H]1CC[C@@H](Cc2ccc(NC(=O)[C@@H]3CCc4ccnn34)cc2)N1)c1cccnc1 |r| Show InChI InChI=1S/C24H27N5O2/c30-23(17-2-1-12-25-15-17)21-9-7-19(27-21)14-16-3-5-18(6-4-16)28-24(31)22-10-8-20-11-13-26-29(20)22/h1-6,11-13,15,19,21-23,27,30H,7-10,14H2,(H,28,31)/t19-,21+,22-,23+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Merck and Co. Curated by ChEMBL					Assay Description Inhibition of CYP2D6 in human liver microsomes assessed as dextromethorphan O-demethylation				J Med Chem 57: 1437-53 (2014) Article DOI: 10.1021/jm4017224 BindingDB Entry DOI: 10.7270/Q25M6767
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50448789 (CHEMBL3128188) Show SMILES O[C@@H]([C@H]1CC[C@@H](Cc2ccc(NC(=O)[C@@H]3CCc4ccnn34)cc2)N1)c1cccnc1 |r| Show InChI InChI=1S/C24H27N5O2/c30-23(17-2-1-12-25-15-17)21-9-7-19(27-21)14-16-3-5-18(6-4-16)28-24(31)22-10-8-20-11-13-26-29(20)22/h1-6,11-13,15,19,21-23,27,30H,7-10,14H2,(H,28,31)/t19-,21+,22-,23+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Merck and Co. Curated by ChEMBL					Assay Description Inhibition of CYP2C9 in human liver microsomes assessed as diclofenac alpha'-hydroxylation				J Med Chem 57: 1437-53 (2014) Article DOI: 10.1021/jm4017224 BindingDB Entry DOI: 10.7270/Q25M6767
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50448787 (CHEMBL3128178) Show SMILES O[C@@H]([C@H]1CC[C@@H](Cc2ccc(NC(=O)[C@@H]3CCc4scnc34)cc2)N1)c1cccnc1 |r| Show InChI InChI=1S/C24H26N4O2S/c29-23(16-2-1-11-25-13-16)20-9-7-18(27-20)12-15-3-5-17(6-4-15)28-24(30)19-8-10-21-22(19)26-14-31-21/h1-6,11,13-14,18-20,23,27,29H,7-10,12H2,(H,28,30)/t18-,19+,20+,23+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Merck and Co. Curated by ChEMBL					Assay Description Inhibition of CYP2C9 in human liver microsomes assessed as diclofenac alpha'-hydroxylation				J Med Chem 57: 1437-53 (2014) Article DOI: 10.1021/jm4017224 BindingDB Entry DOI: 10.7270/Q25M6767
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50448786 (CHEMBL3128194) Show SMILES Nc1nc2[C@@H](CCc2s1)C(=O)Nc1ccc(C[C@@H]2CC[C@@H](N2)[C@H](O)c2ccccc2)cc1 |r| Show InChI InChI=1S/C25H28N4O2S/c26-25-29-22-19(11-13-21(22)32-25)24(31)28-17-8-6-15(7-9-17)14-18-10-12-20(27-18)23(30)16-4-2-1-3-5-16/h1-9,18-20,23,27,30H,10-14H2,(H2,26,29)(H,28,31)/t18-,19+,20+,23+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Merck and Co. Curated by ChEMBL					Assay Description Inhibition of CYP2C9 in human liver microsomes assessed as diclofenac alpha'-hydroxylation				J Med Chem 57: 1437-53 (2014) Article DOI: 10.1021/jm4017224 BindingDB Entry DOI: 10.7270/Q25M6767
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50338821 (2-(2-aminothiazol-4-yl)-N-(4-(((2S,5R)-5-((R)-hydr...) Show SMILES Nc1nc(CC(=O)Nc2ccc(C[C@@H]3CC[C@@H](N3)[C@H](O)c3ccccc3)cc2)cs1 |r| Show InChI InChI=1S/C23H26N4O2S/c24-23-27-19(14-30-23)13-21(28)26-17-8-6-15(7-9-17)12-18-10-11-20(25-18)22(29)16-4-2-1-3-5-16/h1-9,14,18,20,22,25,29H,10-13H2,(H2,24,27)(H,26,28)/t18-,20+,22+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Merck and Co. Curated by ChEMBL					Assay Description Inhibition of CYP2C9 in human liver microsomes assessed as diclofenac alpha'-hydroxylation				J Med Chem 57: 1437-53 (2014) Article DOI: 10.1021/jm4017224 BindingDB Entry DOI: 10.7270/Q25M6767
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Macaca mulatta)	BDBM50448787 (CHEMBL3128178) Show SMILES O[C@@H]([C@H]1CC[C@@H](Cc2ccc(NC(=O)[C@@H]3CCc4scnc34)cc2)N1)c1cccnc1 |r| Show InChI InChI=1S/C24H26N4O2S/c29-23(16-2-1-11-25-13-16)20-9-7-18(27-20)12-15-3-5-17(6-4-15)28-24(30)19-8-10-21-22(19)26-14-31-21/h1-6,11,13-14,18-20,23,27,29H,7-10,12H2,(H,28,30)/t18-,19+,20+,23+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2	n/a	n/a	n/a	n/a
Merck and Co. Curated by ChEMBL					Assay Description Agonist activity at rhesus monkey beta-3 adrenergic receptor expressed in CHO cells assessed as increase in intracellular cAMP accumulation after 30 ...				J Med Chem 57: 1437-53 (2014) Article DOI: 10.1021/jm4017224 BindingDB Entry DOI: 10.7270/Q25M6767
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Macaca mulatta)	BDBM50448789 (CHEMBL3128188) Show SMILES O[C@@H]([C@H]1CC[C@@H](Cc2ccc(NC(=O)[C@@H]3CCc4ccnn34)cc2)N1)c1cccnc1 |r| Show InChI InChI=1S/C24H27N5O2/c30-23(17-2-1-12-25-15-17)21-9-7-19(27-21)14-16-3-5-18(6-4-16)28-24(31)22-10-8-20-11-13-26-29(20)22/h1-6,11-13,15,19,21-23,27,30H,7-10,14H2,(H,28,31)/t19-,21+,22-,23+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	4.70	n/a	n/a	n/a	n/a
Merck and Co. Curated by ChEMBL					Assay Description Agonist activity at rhesus monkey beta-3 adrenergic receptor expressed in CHO cells assessed as increase in intracellular cAMP accumulation after 30 ...				J Med Chem 57: 1437-53 (2014) Article DOI: 10.1021/jm4017224 BindingDB Entry DOI: 10.7270/Q25M6767
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Canis familiaris)	BDBM50448787 (CHEMBL3128178) Show SMILES O[C@@H]([C@H]1CC[C@@H](Cc2ccc(NC(=O)[C@@H]3CCc4scnc34)cc2)N1)c1cccnc1 |r| Show InChI InChI=1S/C24H26N4O2S/c29-23(16-2-1-11-25-13-16)20-9-7-18(27-20)12-15-3-5-17(6-4-15)28-24(30)19-8-10-21-22(19)26-14-31-21/h1-6,11,13-14,18-20,23,27,29H,7-10,12H2,(H,28,30)/t18-,19+,20+,23+/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	5	n/a	n/a	n/a	n/a
Merck and Co. Curated by ChEMBL					Assay Description Agonist activity at dog beta-3 adrenergic receptor expressed in CHO cells assessed as increase in intracellular cAMP accumulation after 30 mins by ti...				J Med Chem 57: 1437-53 (2014) Article DOI: 10.1021/jm4017224 BindingDB Entry DOI: 10.7270/Q25M6767
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Canis familiaris)	BDBM50448789 (CHEMBL3128188) Show SMILES O[C@@H]([C@H]1CC[C@@H](Cc2ccc(NC(=O)[C@@H]3CCc4ccnn34)cc2)N1)c1cccnc1 |r| Show InChI InChI=1S/C24H27N5O2/c30-23(17-2-1-12-25-15-17)21-9-7-19(27-21)14-16-3-5-18(6-4-16)28-24(31)22-10-8-20-11-13-26-29(20)22/h1-6,11-13,15,19,21-23,27,30H,7-10,14H2,(H,28,31)/t19-,21+,22-,23+/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	22	n/a	n/a	n/a	n/a
Merck and Co. Curated by ChEMBL					Assay Description Agonist activity at dog beta-3 adrenergic receptor expressed in CHO cells assessed as increase in intracellular cAMP accumulation after 30 mins by ti...				J Med Chem 57: 1437-53 (2014) Article DOI: 10.1021/jm4017224 BindingDB Entry DOI: 10.7270/Q25M6767
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Canis familiaris)	BDBM50448786 (CHEMBL3128194) Show SMILES Nc1nc2[C@@H](CCc2s1)C(=O)Nc1ccc(C[C@@H]2CC[C@@H](N2)[C@H](O)c2ccccc2)cc1 |r| Show InChI InChI=1S/C25H28N4O2S/c26-25-29-22-19(11-13-21(22)32-25)24(31)28-17-8-6-15(7-9-17)14-18-10-12-20(27-18)23(30)16-4-2-1-3-5-16/h1-9,18-20,23,27,30H,10-14H2,(H2,26,29)(H,28,31)/t18-,19+,20+,23+/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.190	n/a	n/a	n/a	n/a
Merck and Co. Curated by ChEMBL					Assay Description Agonist activity at dog beta-3 adrenergic receptor expressed in CHO cells assessed as increase in intracellular cAMP accumulation after 30 mins by ti...				J Med Chem 57: 1437-53 (2014) Article DOI: 10.1021/jm4017224 BindingDB Entry DOI: 10.7270/Q25M6767
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Macaca mulatta)	BDBM50448786 (CHEMBL3128194) Show SMILES Nc1nc2[C@@H](CCc2s1)C(=O)Nc1ccc(C[C@@H]2CC[C@@H](N2)[C@H](O)c2ccccc2)cc1 |r| Show InChI InChI=1S/C25H28N4O2S/c26-25-29-22-19(11-13-21(22)32-25)24(31)28-17-8-6-15(7-9-17)14-18-10-12-20(27-18)23(30)16-4-2-1-3-5-16/h1-9,18-20,23,27,30H,10-14H2,(H2,26,29)(H,28,31)/t18-,19+,20+,23+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.0600	n/a	n/a	n/a	n/a
Merck and Co. Curated by ChEMBL					Assay Description Agonist activity at rhesus monkey beta-3 adrenergic receptor expressed in CHO cells assessed as increase in intracellular cAMP accumulation after 30 ...				J Med Chem 57: 1437-53 (2014) Article DOI: 10.1021/jm4017224 BindingDB Entry DOI: 10.7270/Q25M6767
					More data for this Ligand-Target Pair