Compile Data Set for Download or QSAR

Found 18 hits with Last Name = 'hamanaka' and Initial = 'es'   

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
Sterol O-acyltransferase 1 (Rattus norvegicus)	BDBM50041289 ((S)-2-Hexylsulfanyl-decanoic acid (6-methyl-2,4-bi...) Show SMILES CCCCCCCC[C@H](SCCCCCC)C(=O)Nc1c(SC)cc(C)nc1SC Show InChI InChI=1S/C24H42N2OS3/c1-6-8-10-12-13-14-16-20(30-17-15-11-9-7-2)23(27)26-22-21(28-4)18-19(3)25-24(22)29-5/h18,20H,6-17H2,1-5H3,(H,26,27)/t20-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description In vitro potency was determined using Acyl coenzyme A:cholesterol acyltransferase in liver microsomes from rats				J Med Chem 37: 1252-5 (1994) BindingDB Entry DOI: 10.7270/Q25X280J
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 1 (Homo sapiens (Human))	BDBM50097898 (CHEMBL355862 | N-(5-Cyclopropyl-1-quinolin-5-yl-1H...) Show SMILES NC(=N)NC(=O)c1cnn(c1C1CC1)-c1cccc2ncccc12 Show InChI InChI=1S/C17H16N6O/c18-17(19)22-16(24)12-9-21-23(15(12)10-6-7-10)14-5-1-4-13-11(14)3-2-8-20-13/h1-5,8-10H,6-7H2,(H4,18,19,22,24)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	59	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description In vitro concentration required to inhibit NHE-1 mediated intracellular maximal pH recovery by 50%				Bioorg Med Chem Lett 11: 803-7 (2001) BindingDB Entry DOI: 10.7270/Q2TM79CK
					More data for this Ligand-Target Pair
Sterol O-acyltransferase 1 (Rattus norvegicus)	BDBM50041290 ((S)-2-Hexylsulfanyl-decanoic acid (6-methylsulfany...) Show SMILES CCCCCCCC[C@H](SCCCCCC)C(=O)Nc1c(SC)ccc2ncccc12 Show InChI InChI=1S/C26H40N2OS2/c1-4-6-8-10-11-12-16-24(31-20-13-9-7-5-2)26(29)28-25-21-15-14-19-27-22(21)17-18-23(25)30-3/h14-15,17-19,24H,4-13,16,20H2,1-3H3,(H,28,29)/t24-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	135	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description In vitro potency was determined using Acyl coenzyme A:cholesterol acyltransferase in liver microsomes from rats				J Med Chem 37: 1252-5 (1994) BindingDB Entry DOI: 10.7270/Q25X280J
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 1 (Homo sapiens (Human))	BDBM50058715 (CHEMBL64360 | EMD-96785 | ENIPORIDE | N-(5-Methane...) Show SMILES Cc1cc(c(cc1C(=O)NC(N)=N)S(C)(=O)=O)-n1cccc1 Show InChI InChI=1S/C14H16N4O3S/c1-9-7-11(18-5-3-4-6-18)12(22(2,20)21)8-10(9)13(19)17-14(15)16/h3-8H,1-2H3,(H4,15,16,17,19)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description In vitro concentration required to inhibit NHE-1 mediated intracellular maximal pH recovery by 50%				Bioorg Med Chem Lett 11: 803-7 (2001) BindingDB Entry DOI: 10.7270/Q2TM79CK
					More data for this Ligand-Target Pair
Sterol O-acyltransferase 1 (Rattus norvegicus)	BDBM50453642 (CHEMBL2093028) Show SMILES CCCCCCCC[C@@H](SCCCCCC)C(=O)Nc1c(SC)cc(C)nc1SC Show InChI InChI=1S/C24H42N2OS3/c1-6-8-10-12-13-14-16-20(30-17-15-11-9-7-2)23(27)26-22-21(28-4)18-19(3)25-24(22)29-5/h18,20H,6-17H2,1-5H3,(H,26,27)/t20-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description In vitro potency was determined using Acyl coenzyme A:cholesterol acyltransferase in liver microsomes from rats				J Med Chem 37: 1252-5 (1994) BindingDB Entry DOI: 10.7270/Q25X280J
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 1 (Homo sapiens (Human))	BDBM50097896 (CHEMBL354137 | N-(5-Cyclopropyl-1-naphthalen-1-yl-...) Show SMILES NC(=N)NC(=O)c1cnn(c1C1CC1)-c1cccc2ccccc12 Show InChI InChI=1S/C18H17N5O/c19-18(20)22-17(24)14-10-21-23(16(14)12-8-9-12)15-7-3-5-11-4-1-2-6-13(11)15/h1-7,10,12H,8-9H2,(H4,19,20,22,24)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description In vitro concentration required to inhibit NHE-1 mediated intracellular maximal pH recovery by 50%				Bioorg Med Chem Lett 11: 803-7 (2001) BindingDB Entry DOI: 10.7270/Q2TM79CK
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 1 (Homo sapiens (Human))	BDBM50097895 (CHEMBL355071 | N-(5-Cyclopropyl-1-phenyl-1H-pyrazo...) Show SMILES NC(=N)NC(=O)c1cnn(c1C1CC1)-c1ccccc1 Show InChI InChI=1S/C14H15N5O/c15-14(16)18-13(20)11-8-17-19(12(11)9-6-7-9)10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(H4,15,16,18,20)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	350	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description In vitro concentration required to inhibit NHE-1 mediated intracellular maximal pH recovery by 50%				Bioorg Med Chem Lett 11: 803-7 (2001) BindingDB Entry DOI: 10.7270/Q2TM79CK
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 1 (Homo sapiens (Human))	BDBM50058759 (CHEMBL436559 | CHEMBL462831 | Cariporide | N-(4-Is...) Show SMILES CC(C)c1ccc(cc1S(C)(=O)=O)C(=O)NC(N)=N Show InChI InChI=1S/C12H17N3O3S/c1-7(2)9-5-4-8(11(16)15-12(13)14)6-10(9)19(3,17)18/h4-7H,1-3H3,(H4,13,14,15,16)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	560	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description In vitro concentration required to inhibit NHE-1 mediated intracellular maximal pH recovery by 50%				Bioorg Med Chem Lett 11: 803-7 (2001) BindingDB Entry DOI: 10.7270/Q2TM79CK
					More data for this Ligand-Target Pair
Sterol O-acyltransferase 1 (Rattus norvegicus)	BDBM50453641 (CHEMBL2093029) Show SMILES CCCCCCCC[C@@H](SCCCCCC)C(=O)Nc1c(SC)ccc2ncccc12 Show InChI InChI=1S/C26H40N2OS2/c1-4-6-8-10-11-12-16-24(31-20-13-9-7-5-2)26(29)28-25-21-15-14-19-27-22(21)17-18-23(25)30-3/h14-15,17-19,24H,4-13,16,20H2,1-3H3,(H,28,29)/t24-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	750	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description In vitro potency was determined using Acyl coenzyme A:cholesterol acyltransferase in liver microsomes from rats				J Med Chem 37: 1252-5 (1994) BindingDB Entry DOI: 10.7270/Q25X280J
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 1 (Homo sapiens (Human))	BDBM50097897 (CHEMBL352933 | N-(5-Methyl-1-phenyl-1H-pyrazole-4-...) Show SMILES Cc1c(cnn1-c1ccccc1)C(=O)NC(N)=N Show InChI InChI=1S/C12H13N5O/c1-8-10(11(18)16-12(13)14)7-15-17(8)9-5-3-2-4-6-9/h2-7H,1H3,(H4,13,14,16,18)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	830	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description In vitro concentration required to inhibit NHE-1 mediated intracellular maximal pH recovery by 50%				Bioorg Med Chem Lett 11: 803-7 (2001) BindingDB Entry DOI: 10.7270/Q2TM79CK
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 1 (Homo sapiens (Human))	BDBM50097899 (CHEMBL167495 | N-(5-Methyl-1-quinolin-5-yl-1H-pyra...) Show SMILES Cc1c(cnn1-c1cccc2ncccc12)C(=O)NC(N)=N Show InChI InChI=1S/C15H14N6O/c1-9-11(14(22)20-15(16)17)8-19-21(9)13-6-2-5-12-10(13)4-3-7-18-12/h2-8H,1H3,(H4,16,17,20,22)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	860	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description In vitro concentration required to inhibit NHE-1 mediated intracellular maximal pH recovery by 50%				Bioorg Med Chem Lett 11: 803-7 (2001) BindingDB Entry DOI: 10.7270/Q2TM79CK
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 2 (Homo sapiens (Human))	BDBM50097897 (CHEMBL352933 | N-(5-Methyl-1-phenyl-1H-pyrazole-4-...) Show SMILES Cc1c(cnn1-c1ccccc1)C(=O)NC(N)=N Show InChI InChI=1S/C12H13N5O/c1-8-10(11(18)16-12(13)14)7-15-17(8)9-5-3-2-4-6-9/h2-7H,1H3,(H4,13,14,16,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	3.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description In vitro concentration of compound required to inhibit NHE-2 mediated intracellular maximal pH recovery by 50%				Bioorg Med Chem Lett 11: 803-7 (2001) BindingDB Entry DOI: 10.7270/Q2TM79CK
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 2 (Homo sapiens (Human))	BDBM50058715 (CHEMBL64360 | EMD-96785 | ENIPORIDE | N-(5-Methane...) Show SMILES Cc1cc(c(cc1C(=O)NC(N)=N)S(C)(=O)=O)-n1cccc1 Show InChI InChI=1S/C14H16N4O3S/c1-9-7-11(18-5-3-4-6-18)12(22(2,20)21)8-10(9)13(19)17-14(15)16/h3-8H,1-2H3,(H4,15,16,17,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	9.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description In vitro concentration of compound required to inhibit NHE-2 mediated intracellular maximal pH recovery by 50%				Bioorg Med Chem Lett 11: 803-7 (2001) BindingDB Entry DOI: 10.7270/Q2TM79CK
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 2 (Homo sapiens (Human))	BDBM50097898 (CHEMBL355862 | N-(5-Cyclopropyl-1-quinolin-5-yl-1H...) Show SMILES NC(=N)NC(=O)c1cnn(c1C1CC1)-c1cccc2ncccc12 Show InChI InChI=1S/C17H16N6O/c18-17(19)22-16(24)12-9-21-23(15(12)10-6-7-10)14-5-1-4-13-11(14)3-2-8-20-13/h1-5,8-10H,6-7H2,(H4,18,19,22,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description In vitro concentration of compound required to inhibit NHE-2 mediated intracellular maximal pH recovery by 50%				Bioorg Med Chem Lett 11: 803-7 (2001) BindingDB Entry DOI: 10.7270/Q2TM79CK
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 2 (Homo sapiens (Human))	BDBM50097895 (CHEMBL355071 | N-(5-Cyclopropyl-1-phenyl-1H-pyrazo...) Show SMILES NC(=N)NC(=O)c1cnn(c1C1CC1)-c1ccccc1 Show InChI InChI=1S/C14H15N5O/c15-14(16)18-13(20)11-8-17-19(12(11)9-6-7-9)10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(H4,15,16,18,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.28E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description In vitro concentration of compound required to inhibit NHE-2 mediated intracellular maximal pH recovery by 50%				Bioorg Med Chem Lett 11: 803-7 (2001) BindingDB Entry DOI: 10.7270/Q2TM79CK
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 2 (Homo sapiens (Human))	BDBM50097896 (CHEMBL354137 | N-(5-Cyclopropyl-1-naphthalen-1-yl-...) Show SMILES NC(=N)NC(=O)c1cnn(c1C1CC1)-c1cccc2ccccc12 Show InChI InChI=1S/C18H17N5O/c19-18(20)22-17(24)14-10-21-23(16(14)12-8-9-12)15-7-3-5-11-4-1-2-6-13(11)15/h1-7,10,12H,8-9H2,(H4,19,20,22,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.63E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description In vitro concentration of compound required to inhibit NHE-2 mediated intracellular maximal pH recovery by 50%				Bioorg Med Chem Lett 11: 803-7 (2001) BindingDB Entry DOI: 10.7270/Q2TM79CK
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 2 (Homo sapiens (Human))	BDBM50058759 (CHEMBL436559 | CHEMBL462831 | Cariporide | N-(4-Is...) Show SMILES CC(C)c1ccc(cc1S(C)(=O)=O)C(=O)NC(N)=N Show InChI InChI=1S/C12H17N3O3S/c1-7(2)9-5-4-8(11(16)15-12(13)14)6-10(9)19(3,17)18/h4-7H,1-3H3,(H4,13,14,15,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2.87E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description In vitro concentration of compound required to inhibit NHE-2 mediated intracellular maximal pH recovery by 50%				Bioorg Med Chem Lett 11: 803-7 (2001) BindingDB Entry DOI: 10.7270/Q2TM79CK
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 2 (Homo sapiens (Human))	BDBM50097899 (CHEMBL167495 | N-(5-Methyl-1-quinolin-5-yl-1H-pyra...) Show SMILES Cc1c(cnn1-c1cccc2ncccc12)C(=O)NC(N)=N Show InChI InChI=1S/C15H14N6O/c1-9-11(14(22)20-15(16)17)8-19-21(9)13-6-2-5-12-10(13)4-3-7-18-12/h2-8H,1H3,(H4,16,17,20,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.16E+5	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description In vitro concentration of compound required to inhibit NHE-2 mediated intracellular maximal pH recovery by 50%				Bioorg Med Chem Lett 11: 803-7 (2001) BindingDB Entry DOI: 10.7270/Q2TM79CK
					More data for this Ligand-Target Pair