Compile Data Set for Download or QSAR

Found 22 hits Enz. Inhib. hit(s) with all data for entry = 50003761   

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
Hydroxycarboxylic acid receptor 3 (Homo sapiens (Human))	BDBM50241028 (1-Isopropyl-1H-benzotriazole-5-carboxylic acid | 1...) Show SMILES CC(C)n1nnc2cc(ccc12)C(O)=O Show InChI InChI=1S/C10H11N3O2/c1-6(2)13-9-4-3-7(10(14)15)5-8(9)11-12-13/h3-6H,1-2H3,(H,14,15)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	n/a	n/a	398	n/a	n/a	n/a	n/a
TBA Curated by PDSP Ki Database					Assay Description Agonistic activity at GPR109b by cAMP whole cell assay				J Med Chem 49: 1227-30 (2006) Article DOI: 10.1021/jm051099t BindingDB Entry DOI: 10.7270/Q2SF2ZZ4
					More data for this Ligand-Target Pair
Hydroxycarboxylic acid receptor 3 (Homo sapiens (Human))	BDBM50475646 (CHEMBL201278) Show SMILES OC(=O)c1ccc2n(Cc3ccccc3)nnc2c1 Show InChI InChI=1S/C14H11N3O2/c18-14(19)11-6-7-13-12(8-11)15-16-17(13)9-10-4-2-1-3-5-10/h1-8H,9H2,(H,18,19)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	9.12E+3	n/a	n/a	n/a	n/a
TBA Curated by PDSP Ki Database					Assay Description Agonistic activity at GPR109b by cAMP whole cell assay				J Med Chem 49: 1227-30 (2006) Article DOI: 10.1021/jm051099t BindingDB Entry DOI: 10.7270/Q2SF2ZZ4
					More data for this Ligand-Target Pair
Hydroxycarboxylic acid receptor 3 (Homo sapiens (Human))	BDBM50475627 (CHEMBL202657) Show SMILES OC(=O)c1ccc2n(Cc3cc(F)cc(F)c3)nnc2c1 Show InChI InChI=1S/C14H9F2N3O2/c15-10-3-8(4-11(16)6-10)7-19-13-2-1-9(14(20)21)5-12(13)17-18-19/h1-6H,7H2,(H,20,21)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a
TBA Curated by PDSP Ki Database					Assay Description Agonistic activity at GPR109b by cAMP whole cell assay				J Med Chem 49: 1227-30 (2006) Article DOI: 10.1021/jm051099t BindingDB Entry DOI: 10.7270/Q2SF2ZZ4
					More data for this Ligand-Target Pair
Hydroxycarboxylic acid receptor 3 (Homo sapiens (Human))	BDBM50475628 (CHEMBL202614) Show SMILES CCCn1nnc2cc(ccc12)C(O)=O Show InChI InChI=1S/C10H11N3O2/c1-2-5-13-9-4-3-7(10(14)15)6-8(9)11-12-13/h3-4,6H,2,5H2,1H3,(H,14,15)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	7.41E+3	n/a	n/a	n/a	n/a
TBA Curated by PDSP Ki Database					Assay Description Agonistic activity at GPR109b by cAMP whole cell assay				J Med Chem 49: 1227-30 (2006) Article DOI: 10.1021/jm051099t BindingDB Entry DOI: 10.7270/Q2SF2ZZ4
					More data for this Ligand-Target Pair
Hydroxycarboxylic acid receptor 3 (Homo sapiens (Human))	BDBM50475629 (CHEMBL201048) Show SMILES CCCCCn1nnc2cc(ccc12)C(O)=O Show InChI InChI=1S/C12H15N3O2/c1-2-3-4-7-15-11-6-5-9(12(16)17)8-10(11)13-14-15/h5-6,8H,2-4,7H2,1H3,(H,16,17)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	288	n/a	n/a	n/a	n/a
TBA Curated by PDSP Ki Database					Assay Description Agonistic activity at GPR109b by cAMP whole cell assay				J Med Chem 49: 1227-30 (2006) Article DOI: 10.1021/jm051099t BindingDB Entry DOI: 10.7270/Q2SF2ZZ4
					More data for this Ligand-Target Pair
Hydroxycarboxylic acid receptor 3 (Homo sapiens (Human))	BDBM50475630 (CHEMBL382096) Show SMILES COCC(C)n1nnc2cc(ccc12)C(O)=O Show InChI InChI=1S/C11H13N3O3/c1-7(6-17-2)14-10-4-3-8(11(15)16)5-9(10)12-13-14/h3-5,7H,6H2,1-2H3,(H,15,16)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	200	n/a	n/a	n/a	n/a
TBA Curated by PDSP Ki Database					Assay Description Agonistic activity at GPR109b by cAMP whole cell assay				J Med Chem 49: 1227-30 (2006) Article DOI: 10.1021/jm051099t BindingDB Entry DOI: 10.7270/Q2SF2ZZ4
					More data for this Ligand-Target Pair
Hydroxycarboxylic acid receptor 3 (Homo sapiens (Human))	BDBM50475631 (CHEMBL202351) Show SMILES CCOCCn1nnc2cc(ccc12)C(O)=O Show InChI InChI=1S/C11H13N3O3/c1-2-17-6-5-14-10-4-3-8(11(15)16)7-9(10)12-13-14/h3-4,7H,2,5-6H2,1H3,(H,15,16)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	257	n/a	n/a	n/a	n/a
TBA Curated by PDSP Ki Database					Assay Description Agonistic activity at GPR109b by cAMP whole cell assay				J Med Chem 49: 1227-30 (2006) Article DOI: 10.1021/jm051099t BindingDB Entry DOI: 10.7270/Q2SF2ZZ4
					More data for this Ligand-Target Pair
Hydroxycarboxylic acid receptor 3 (Homo sapiens (Human))	BDBM50475632 (CHEMBL382863) Show SMILES CC(C)n1cnc2cc(ccc12)C(O)=O Show InChI InChI=1S/C11H12N2O2/c1-7(2)13-6-12-9-5-8(11(14)15)3-4-10(9)13/h3-7H,1-2H3,(H,14,15)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	n/a	n/a	3.39E+3	n/a	n/a	n/a	n/a
TBA Curated by PDSP Ki Database					Assay Description Agonistic activity at GPR109b by cAMP whole cell assay				J Med Chem 49: 1227-30 (2006) Article DOI: 10.1021/jm051099t BindingDB Entry DOI: 10.7270/Q2SF2ZZ4
					More data for this Ligand-Target Pair
Hydroxycarboxylic acid receptor 3 (Homo sapiens (Human))	BDBM50475633 (CHEMBL440217) Show SMILES CCn1nnc2cc(ccc12)C(O)=O Show InChI InChI=1S/C9H9N3O2/c1-2-12-8-4-3-6(9(13)14)5-7(8)10-11-12/h3-5H,2H2,1H3,(H,13,14)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	891	n/a	n/a	n/a	n/a
TBA Curated by PDSP Ki Database					Assay Description Agonistic activity at GPR109b by cAMP whole cell assay				J Med Chem 49: 1227-30 (2006) Article DOI: 10.1021/jm051099t BindingDB Entry DOI: 10.7270/Q2SF2ZZ4
					More data for this Ligand-Target Pair
Hydroxycarboxylic acid receptor 3 (Homo sapiens (Human))	BDBM50475634 (CHEMBL202427) Show SMILES COc1cccc(Cn2nnc3cc(ccc23)C(O)=O)c1 Show InChI InChI=1S/C15H13N3O3/c1-21-12-4-2-3-10(7-12)9-18-14-6-5-11(15(19)20)8-13(14)16-17-18/h2-8H,9H2,1H3,(H,19,20)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	5.01E+3	n/a	n/a	n/a	n/a
TBA Curated by PDSP Ki Database					Assay Description Agonistic activity at GPR109b by cAMP whole cell assay				J Med Chem 49: 1227-30 (2006) Article DOI: 10.1021/jm051099t BindingDB Entry DOI: 10.7270/Q2SF2ZZ4
					More data for this Ligand-Target Pair
Hydroxycarboxylic acid receptor 3 (Homo sapiens (Human))	BDBM50475635 (CHEMBL202586) Show SMILES CCCCn1nnc2cc(ccc12)C(O)=O Show InChI InChI=1S/C11H13N3O2/c1-2-3-6-14-10-5-4-8(11(15)16)7-9(10)12-13-14/h4-5,7H,2-3,6H2,1H3,(H,15,16)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	692	n/a	n/a	n/a	n/a
TBA Curated by PDSP Ki Database					Assay Description Agonistic activity at GPR109b by cAMP whole cell assay				J Med Chem 49: 1227-30 (2006) Article DOI: 10.1021/jm051099t BindingDB Entry DOI: 10.7270/Q2SF2ZZ4
					More data for this Ligand-Target Pair
Hydroxycarboxylic acid receptor 3 (Homo sapiens (Human))	BDBM50475636 (CHEMBL383367) Show SMILES OC(=O)c1ccc2n(nnc2c1)C(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C20H15N3O2/c24-20(25)16-11-12-18-17(13-16)21-22-23(18)19(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-13,19H,(H,24,25)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a
TBA Curated by PDSP Ki Database					Assay Description Agonistic activity at GPR109b by cAMP whole cell assay				J Med Chem 49: 1227-30 (2006) Article DOI: 10.1021/jm051099t BindingDB Entry DOI: 10.7270/Q2SF2ZZ4
					More data for this Ligand-Target Pair
Hydroxycarboxylic acid receptor 3 (Homo sapiens (Human))	BDBM50475637 (CHEMBL202206) Show SMILES CCC(C)n1nnc2cc(ccc12)C(O)=O Show InChI InChI=1S/C11H13N3O2/c1-3-7(2)14-10-5-4-8(11(15)16)6-9(10)12-13-14/h4-7H,3H2,1-2H3,(H,15,16)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	331	n/a	n/a	n/a	n/a
TBA Curated by PDSP Ki Database					Assay Description Agonistic activity at GPR109b by cAMP whole cell assay				J Med Chem 49: 1227-30 (2006) Article DOI: 10.1021/jm051099t BindingDB Entry DOI: 10.7270/Q2SF2ZZ4
					More data for this Ligand-Target Pair
Hydroxycarboxylic acid receptor 3 (Homo sapiens (Human))	BDBM50475638 (CHEMBL201724) Show SMILES OC(=O)c1ccc2n(nnc2c1)C1CCCC1 Show InChI InChI=1S/C12H13N3O2/c16-12(17)8-5-6-11-10(7-8)13-14-15(11)9-3-1-2-4-9/h5-7,9H,1-4H2,(H,16,17)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a
TBA Curated by PDSP Ki Database					Assay Description Agonistic activity at GPR109b by cAMP whole cell assay				J Med Chem 49: 1227-30 (2006) Article DOI: 10.1021/jm051099t BindingDB Entry DOI: 10.7270/Q2SF2ZZ4
					More data for this Ligand-Target Pair
Hydroxycarboxylic acid receptor 3 (Homo sapiens (Human))	BDBM50475639 (CHEMBL201409) Show SMILES CCSCCn1nnc2cc(ccc12)C(O)=O Show InChI InChI=1S/C11H13N3O2S/c1-2-17-6-5-14-10-4-3-8(11(15)16)7-9(10)12-13-14/h3-4,7H,2,5-6H2,1H3,(H,15,16)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	302	n/a	n/a	n/a	n/a
TBA Curated by PDSP Ki Database					Assay Description Agonistic activity at GPR109b by cAMP whole cell assay				J Med Chem 49: 1227-30 (2006) Article DOI: 10.1021/jm051099t BindingDB Entry DOI: 10.7270/Q2SF2ZZ4
					More data for this Ligand-Target Pair
Hydroxycarboxylic acid receptor 3 (Homo sapiens (Human))	BDBM50475640 (CHEMBL380939) Show SMILES OC(=O)c1ccc2n(nnc2c1)C1CC1 Show InChI InChI=1S/C10H9N3O2/c14-10(15)6-1-4-9-8(5-6)11-12-13(9)7-2-3-7/h1,4-5,7H,2-3H2,(H,14,15)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	2.34E+3	n/a	n/a	n/a	n/a
TBA Curated by PDSP Ki Database					Assay Description Agonistic activity at GPR109b by cAMP whole cell assay				J Med Chem 49: 1227-30 (2006) Article DOI: 10.1021/jm051099t BindingDB Entry DOI: 10.7270/Q2SF2ZZ4
					More data for this Ligand-Target Pair
Hydroxycarboxylic acid receptor 3 (Homo sapiens (Human))	BDBM50475641 (CHEMBL440041) Show SMILES OC(=O)c1ccc2n(nnc2c1)C1CCC1 Show InChI InChI=1S/C11H11N3O2/c15-11(16)7-4-5-10-9(6-7)12-13-14(10)8-2-1-3-8/h4-6,8H,1-3H2,(H,15,16)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	3.09E+3	n/a	n/a	n/a	n/a
TBA Curated by PDSP Ki Database					Assay Description Agonistic activity at GPR109b by cAMP whole cell assay				J Med Chem 49: 1227-30 (2006) Article DOI: 10.1021/jm051099t BindingDB Entry DOI: 10.7270/Q2SF2ZZ4
					More data for this Ligand-Target Pair
Hydroxycarboxylic acid receptor 3 (Homo sapiens (Human))	BDBM50475642 (CHEMBL201513) Show SMILES Cn1nnc2cc(ccc12)C(O)=O Show InChI InChI=1S/C8H7N3O2/c1-11-7-3-2-5(8(12)13)4-6(7)9-10-11/h2-4H,1H3,(H,12,13)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a
TBA Curated by PDSP Ki Database					Assay Description Agonistic activity at GPR109b by cAMP whole cell assay				J Med Chem 49: 1227-30 (2006) Article DOI: 10.1021/jm051099t BindingDB Entry DOI: 10.7270/Q2SF2ZZ4
					More data for this Ligand-Target Pair
Hydroxycarboxylic acid receptor 3 (Homo sapiens (Human))	BDBM50475643 (CHEMBL370386) Show SMILES CCC(CC)n1nnc2cc(ccc12)C(O)=O Show InChI InChI=1S/C12H15N3O2/c1-3-9(4-2)15-11-6-5-8(12(16)17)7-10(11)13-14-15/h5-7,9H,3-4H2,1-2H3,(H,16,17)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	3.02E+3	n/a	n/a	n/a	n/a
TBA Curated by PDSP Ki Database					Assay Description Agonistic activity at GPR109b by cAMP whole cell assay				J Med Chem 49: 1227-30 (2006) Article DOI: 10.1021/jm051099t BindingDB Entry DOI: 10.7270/Q2SF2ZZ4
					More data for this Ligand-Target Pair
Hydroxycarboxylic acid receptor 3 (Homo sapiens (Human))	BDBM50475644 (CHEMBL383099) Show SMILES OC(=O)c1ccc2n(nnc2c1)C1CCCCC1 Show InChI InChI=1S/C13H15N3O2/c17-13(18)9-6-7-12-11(8-9)14-15-16(12)10-4-2-1-3-5-10/h6-8,10H,1-5H2,(H,17,18)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	n/a	n/a	5.89E+3	n/a	n/a	n/a	n/a
TBA Curated by PDSP Ki Database					Assay Description Agonistic activity at GPR109b by cAMP whole cell assay				J Med Chem 49: 1227-30 (2006) Article DOI: 10.1021/jm051099t BindingDB Entry DOI: 10.7270/Q2SF2ZZ4
					More data for this Ligand-Target Pair
Hydroxycarboxylic acid receptor 3 (Homo sapiens (Human))	BDBM50475645 (CHEMBL202157) Show SMILES COCCn1nnc2cc(ccc12)C(O)=O Show InChI InChI=1S/C10H11N3O3/c1-16-5-4-13-9-3-2-7(10(14)15)6-8(9)11-12-13/h2-3,6H,4-5H2,1H3,(H,14,15)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	316	n/a	n/a	n/a	n/a
TBA Curated by PDSP Ki Database					Assay Description Agonistic activity at GPR109b by cAMP whole cell assay				J Med Chem 49: 1227-30 (2006) Article DOI: 10.1021/jm051099t BindingDB Entry DOI: 10.7270/Q2SF2ZZ4
					More data for this Ligand-Target Pair
Hydroxycarboxylic acid receptor 3 (Homo sapiens (Human))	BDBM50475626 (CHEMBL372727) Show SMILES CC(C)(C)n1nnc2cc(ccc12)C(O)=O Show InChI InChI=1S/C11H13N3O2/c1-11(2,3)14-9-5-4-7(10(15)16)6-8(9)12-13-14/h4-6H,1-3H3,(H,15,16)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	257	n/a	n/a	n/a	n/a
TBA Curated by PDSP Ki Database					Assay Description Agonistic activity at GPR109b by cAMP whole cell assay				J Med Chem 49: 1227-30 (2006) Article DOI: 10.1021/jm051099t BindingDB Entry DOI: 10.7270/Q2SF2ZZ4
					More data for this Ligand-Target Pair