Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Proteinase-activated receptor 2' and Ligand = 'BDBM50091327'   

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
Proteinase-activated receptor 2 (Homo sapiens (Human))	BDBM50091327 (CHEMBL3582251) Show SMILES CC(C)(C)OC(=O)N1CCN(C(=O)c2cn3nc(cc(c3n2)C(C)(C)C)-c2ccc(F)cc2)C(C)(C)C1 Show InChI InChI=1S/C28H36FN5O3/c1-26(2,3)20-15-21(18-9-11-19(29)12-10-18)31-34-16-22(30-23(20)34)24(35)33-14-13-32(17-28(33,7)8)25(36)37-27(4,5)6/h9-12,15-16H,13-14,17H2,1-8H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.20	n/a	n/a	n/a	n/a	n/a	n/a
Therachem Research Medilab (India) Pvt. Ltd. Curated by ChEMBL					Assay Description Antagonist activity against PAR2 in human HT29 cells assessed as inhibition of SLIGKV-induced Ca2+ responses pre-incubated for 30 mins before SLIGKV ...				ACS Med Chem Lett 6: 487-8 (2015) Article DOI: 10.1021/acsmedchemlett.5b00147 BindingDB Entry DOI: 10.7270/Q27W6DX3
					More data for this Ligand-Target Pair
Proteinase-activated receptor 2 (Homo sapiens (Human))	BDBM50091327 (CHEMBL3582251) Show SMILES CC(C)(C)OC(=O)N1CCN(C(=O)c2cn3nc(cc(c3n2)C(C)(C)C)-c2ccc(F)cc2)C(C)(C)C1 Show InChI InChI=1S/C28H36FN5O3/c1-26(2,3)20-15-21(18-9-11-19(29)12-10-18)31-34-16-22(30-23(20)34)24(35)33-14-13-32(17-28(33,7)8)25(36)37-27(4,5)6/h9-12,15-16H,13-14,17H2,1-8H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.80	n/a	n/a	n/a	n/a	n/a	n/a
Therachem Research Medilab (India) Pvt. Ltd. Curated by ChEMBL					Assay Description Antagonist activity against PAR2 in human HT29 cells assessed as inhibition of trypsin-induced Ca2+ responses pre-incubated for 30 mins before trypsi...				ACS Med Chem Lett 6: 487-8 (2015) Article DOI: 10.1021/acsmedchemlett.5b00147 BindingDB Entry DOI: 10.7270/Q27W6DX3
					More data for this Ligand-Target Pair
Proteinase-activated receptor 2 (Homo sapiens (Human))	BDBM50091327 (CHEMBL3582251) Show SMILES CC(C)(C)OC(=O)N1CCN(C(=O)c2cn3nc(cc(c3n2)C(C)(C)C)-c2ccc(F)cc2)C(C)(C)C1 Show InChI InChI=1S/C28H36FN5O3/c1-26(2,3)20-15-21(18-9-11-19(29)12-10-18)31-34-16-22(30-23(20)34)24(35)33-14-13-32(17-28(33,7)8)25(36)37-27(4,5)6/h9-12,15-16H,13-14,17H2,1-8H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Therachem Research Medilab (India) Pvt. Ltd. Curated by ChEMBL					Assay Description Antagonist activity against PAR2 in human HT29 cells assessed as inhibition of UTP-induced Ca2+ responses pre-incubated for 30 mins before UTP stimul...				ACS Med Chem Lett 6: 487-8 (2015) Article DOI: 10.1021/acsmedchemlett.5b00147 BindingDB Entry DOI: 10.7270/Q27W6DX3
					More data for this Ligand-Target Pair
Proteinase-activated receptor 2 (Homo sapiens (Human))	BDBM50091327 (CHEMBL3582251) Show SMILES CC(C)(C)OC(=O)N1CCN(C(=O)c2cn3nc(cc(c3n2)C(C)(C)C)-c2ccc(F)cc2)C(C)(C)C1 Show InChI InChI=1S/C28H36FN5O3/c1-26(2,3)20-15-21(18-9-11-19(29)12-10-18)31-34-16-22(30-23(20)34)24(35)33-14-13-32(17-28(33,7)8)25(36)37-27(4,5)6/h9-12,15-16H,13-14,17H2,1-8H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Therachem Research Medilab (India) Pvt. Ltd. Curated by ChEMBL					Assay Description Antagonist activity against PAR2 in human HT29 cells assessed as inhibition of thrombin-induced Ca2+ responses pre-incubated for 30 mins before throm...				ACS Med Chem Lett 6: 487-8 (2015) Article DOI: 10.1021/acsmedchemlett.5b00147 BindingDB Entry DOI: 10.7270/Q27W6DX3
					More data for this Ligand-Target Pair