Compile Data Set for Download or QSAR

Found 10 hits Enz. Inhib. hit(s) with all data for assayid = 5 entry = 50000736   

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
G-protein coupled receptor 35 (Homo sapiens (Human))	BDBM50436001 (CHEMBL2392174 | CHEMBL2425818) Show SMILES COc1ccc(cc1)C(=O)Nc1cc(Br)cc2c1oc(cc2=O)C(O)=O Show InChI InChI=1S/C18H12BrNO6/c1-25-11-4-2-9(3-5-11)17(22)20-13-7-10(19)6-12-14(21)8-15(18(23)24)26-16(12)13/h2-8H,1H3,(H,20,22)(H,23,24)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	12	n/a	n/a	n/a	n/a
Dalian Institute of Chemical Physics Curated by ChEMBL					Assay Description Agonist activity at human GPR35 expressed in CHO-K1 cells after 90 mins by beta-arrestin 2 recruitment assay				J Med Chem 60: 362-372 (2017) Article DOI: 10.1021/acs.jmedchem.6b01431 BindingDB Entry DOI: 10.7270/Q2J67KC8
					More data for this Ligand-Target Pair
G-protein coupled receptor 35 (Homo sapiens (Human))	BDBM38549 (2-[2-[4-[(4-chlorophenyl)-phenyl-methyl]piperazino...) Show SMILES OC(=O)c1cc2ccccc2c(Cc2c(O)c(cc3ccccc23)C(O)=O)c1O Show InChI InChI=1S/C23H16O6/c24-20-16(14-7-3-1-5-12(14)9-18(20)22(26)27)11-17-15-8-4-2-6-13(15)10-19(21(17)25)23(28)29/h1-10,24-25H,11H2,(H,26,27)(H,28,29)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	500	n/a	n/a	n/a	n/a
Dalian Institute of Chemical Physics Curated by ChEMBL					Assay Description Agonist activity at human GPR35 expressed in CHO-K1 cells after 90 mins by beta-arrestin 2 recruitment assay				J Med Chem 60: 362-372 (2017) Article DOI: 10.1021/acs.jmedchem.6b01431 BindingDB Entry DOI: 10.7270/Q2J67KC8
					More data for this Ligand-Target Pair
G-protein coupled receptor 35 (Homo sapiens (Human))	BDBM50259887 (CHEMBL3277775) Show SMILES OC(=O)c1cc(=O)c2c(ccc3c2[nH]c(cc3=O)C(O)=O)[nH]1 Show InChI InChI=1S/C14H8N2O6/c17-9-3-8(14(21)22)16-12-5(9)1-2-6-11(12)10(18)4-7(15-6)13(19)20/h1-4H,(H,15,18)(H,16,17)(H,19,20)(H,21,22)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	13	n/a	n/a	n/a	n/a
Dalian Institute of Chemical Physics Curated by ChEMBL					Assay Description Agonist activity at human GPR35 expressed in CHO-K1 cells after 90 mins by beta-arrestin 2 recruitment assay				J Med Chem 60: 362-372 (2017) Article DOI: 10.1021/acs.jmedchem.6b01431 BindingDB Entry DOI: 10.7270/Q2J67KC8
					More data for this Ligand-Target Pair
G-protein coupled receptor 35 (Homo sapiens (Human))	BDBM35525 (3,3''''-methylenebis(4-hydroxy-coumarin | 3,3''''-...) Show SMILES Oc1c(Cc2c(O)c3ccccc3oc2=O)c(=O)oc2ccccc12 Show InChI InChI=1S/C19H12O6/c20-16-10-5-1-3-7-14(10)24-18(22)12(16)9-13-17(21)11-6-2-4-8-15(11)25-19(13)23/h1-8,20-21H,9H2	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a
Dalian Institute of Chemical Physics Curated by ChEMBL					Assay Description Agonist activity at human GPR35 expressed in CHO-K1 cells after 90 mins by beta-arrestin 2 recruitment assay				J Med Chem 60: 362-372 (2017) Article DOI: 10.1021/acs.jmedchem.6b01431 BindingDB Entry DOI: 10.7270/Q2J67KC8
					More data for this Ligand-Target Pair
G-protein coupled receptor 35 (Homo sapiens (Human))	BDBM14363 (3-(2-propoxyphenyl)-2,4,7,8,9-pentazabicyclo[4.3.0...) Show SMILES CCCOc1ccccc1-c1nc2nn[nH]c2c(=O)[nH]1 Show InChI InChI=1S/C13H13N5O2/c1-2-7-20-9-6-4-3-5-8(9)11-14-12-10(13(19)15-11)16-18-17-12/h3-6H,2,7H2,1H3,(H2,14,15,16,17,18,19)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	4.20E+3	n/a	n/a	n/a	n/a
Dalian Institute of Chemical Physics Curated by ChEMBL					Assay Description Agonist activity at human GPR35 expressed in CHO-K1 cells after 90 mins by beta-arrestin 2 recruitment assay				J Med Chem 60: 362-372 (2017) Article DOI: 10.1021/acs.jmedchem.6b01431 BindingDB Entry DOI: 10.7270/Q2J67KC8
					More data for this Ligand-Target Pair
G-protein coupled receptor 35 (Homo sapiens (Human))	BDBM50440033 (CROMOLYN | Crolom | Cromoglicic Acid) Show SMILES OC(COc1cccc2oc(cc(=O)c12)C(O)=O)COc1cccc2oc(cc(=O)c12)C(O)=O Show InChI InChI=1S/C23H16O11/c24-11(9-31-14-3-1-5-16-20(14)12(25)7-18(33-16)22(27)28)10-32-15-4-2-6-17-21(15)13(26)8-19(34-17)23(29)30/h1-8,11,24H,9-10H2,(H,27,28)(H,29,30)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a
Dalian Institute of Chemical Physics Curated by ChEMBL					Assay Description Agonist activity at human GPR35 expressed in CHO-K1 cells after 90 mins by beta-arrestin 2 recruitment assay				J Med Chem 60: 362-372 (2017) Article DOI: 10.1021/acs.jmedchem.6b01431 BindingDB Entry DOI: 10.7270/Q2J67KC8
					More data for this Ligand-Target Pair
G-protein coupled receptor 35 (Homo sapiens (Human))	BDBM50357187 (CHEMBL1914576) Show SMILES [#6]-[#6]1=[#6](C#N)\[#6](-[#8]C1([#6])c1ccc(Cl)c(Cl)c1)=[#6](\C#N)C#N |c:1| Show InChI InChI=1S/C16H9Cl2N3O/c1-9-12(8-21)15(10(6-19)7-20)22-16(9,2)11-3-4-13(17)14(18)5-11/h3-5H,1-2H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	1.02E+4	n/a	n/a	n/a	n/a
Dalian Institute of Chemical Physics Curated by ChEMBL					Assay Description Agonist activity at human GPR35 expressed in CHO-K1 cells after 90 mins by beta-arrestin 2 recruitment assay				J Med Chem 60: 362-372 (2017) Article DOI: 10.1021/acs.jmedchem.6b01431 BindingDB Entry DOI: 10.7270/Q2J67KC8
					More data for this Ligand-Target Pair
G-protein coupled receptor 35 (Homo sapiens (Human))	BDBM50259889 (Lodoxamide) Show SMILES OC(=O)C(=O)Nc1cc(cc(NC(=O)C(O)=O)c1Cl)C#N Show InChI InChI=1S/C11H6ClN3O6/c12-7-5(14-8(16)10(18)19)1-4(3-13)2-6(7)15-9(17)11(20)21/h1-2H,(H,14,16)(H,15,17)(H,18,19)(H,20,21)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a
Dalian Institute of Chemical Physics Curated by ChEMBL					Assay Description Agonist activity at human GPR35 expressed in CHO-K1 cells after 90 mins by beta-arrestin 2 recruitment assay				J Med Chem 60: 362-372 (2017) Article DOI: 10.1021/acs.jmedchem.6b01431 BindingDB Entry DOI: 10.7270/Q2J67KC8
					More data for this Ligand-Target Pair				3D Structure (crystal)
G-protein coupled receptor 35 (Homo sapiens (Human))	BDBM50233945 (CHEBI:18344 | Kynurenic Acid | TRANSTORINE) Show SMILES OC(=O)c1cc(=O)c2ccccc2[nH]1 Show InChI InChI=1S/C10H7NO3/c12-9-5-8(10(13)14)11-7-4-2-1-3-6(7)9/h1-5H,(H,11,12)(H,13,14)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	2.17E+5	n/a	n/a	n/a	n/a
Dalian Institute of Chemical Physics Curated by ChEMBL					Assay Description Agonist activity at human GPR35 expressed in CHO-K1 cells after 90 mins by beta-arrestin 2 recruitment assay				J Med Chem 60: 362-372 (2017) Article DOI: 10.1021/acs.jmedchem.6b01431 BindingDB Entry DOI: 10.7270/Q2J67KC8
					More data for this Ligand-Target Pair
G-protein coupled receptor 35 (Homo sapiens (Human))	BDBM357857 (Aphthasol | US10214536, Amlexanox) Show SMILES CC(C)c1ccc2oc3nc(N)c(cc3c(=O)c2c1)C(O)=O Show InChI InChI=1S/C16H14N2O4/c1-7(2)8-3-4-12-9(5-8)13(19)10-6-11(16(20)21)14(17)18-15(10)22-12/h3-7H,1-2H3,(H2,17,18)(H,20,21)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a
Dalian Institute of Chemical Physics Curated by ChEMBL					Assay Description Agonist activity at human GPR35 expressed in CHO-K1 cells after 90 mins by beta-arrestin 2 recruitment assay				J Med Chem 60: 362-372 (2017) Article DOI: 10.1021/acs.jmedchem.6b01431 BindingDB Entry DOI: 10.7270/Q2J67KC8
					More data for this Ligand-Target Pair