Compile Data Set for Download or QSAR

Found 8 hits of ic50 for UniProtKB: P48995   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Short transient receptor potential channel 1/4 (Homo sapiens)	BDBM50519465 (CHEMBL4466522) Show SMILES Cn1c2nc(Oc3cccc(OC(F)(F)F)c3)n(Cc3ccc(Cl)cc3)c2c(=O)n(CCCO)c1=O Show InChI InChI=1S/C23H20ClF3N4O5/c1-29-19-18(20(33)30(22(29)34)10-3-11-32)31(13-14-6-8-15(24)9-7-14)21(28-19)35-16-4-2-5-17(12-16)36-23(25,26)27/h2,4-9,12,32H,3,10-11,13H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	0.0330	n/a	n/a	n/a	n/a	n/a	n/a
University of Nebraska Medical Center Curated by ChEMBL					Assay Description Inhibition of human TRPC4/human TRPC1 expressed in HEK293 cells assessed as reduction in englerin A-induced calcium entry incubated for 30 mins by Fl...				J Med Chem 62: 7589-7602 (2019) Article DOI: 10.1021/acs.jmedchem.8b01954 BindingDB Entry DOI: 10.7270/Q2XS5ZR8
					More data for this Ligand-Target Pair
Short transient receptor potential channel 1/5 (Homo sapiens (Human))	BDBM50519465 (CHEMBL4466522) Show SMILES Cn1c2nc(Oc3cccc(OC(F)(F)F)c3)n(Cc3ccc(Cl)cc3)c2c(=O)n(CCCO)c1=O Show InChI InChI=1S/C23H20ClF3N4O5/c1-29-19-18(20(33)30(22(29)34)10-3-11-32)31(13-14-6-8-15(24)9-7-14)21(28-19)35-16-4-2-5-17(12-16)36-23(25,26)27/h2,4-9,12,32H,3,10-11,13H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	0.190	n/a	n/a	n/a	n/a	n/a	n/a
University of Nebraska Medical Center Curated by ChEMBL					Assay Description Inhibition of human TRPC5/human TRPC1 expressed in HEK293 cells assessed as reduction in englerin A-induced calcium entry incubated for 30 mins by Fl...				J Med Chem 62: 7589-7602 (2019) Article DOI: 10.1021/acs.jmedchem.8b01954 BindingDB Entry DOI: 10.7270/Q2XS5ZR8
					More data for this Ligand-Target Pair				3D Structure (crystal)
Short transient receptor potential channel 1/4 (Homo sapiens)	BDBM50519489 (CHEMBL4450705) Show SMILES [H][C@@]12CC[C@@H](C)[C@@]1([H])[C@H](OC(=O)\C=C\c1ccccc1)[C@]1(C[C@@H](OCCO)[C@]2(C)O1)C(C)C |r| Show InChI InChI=1S/C26H36O5/c1-17(2)26-16-21(29-15-14-27)25(4,31-26)20-12-10-18(3)23(20)24(26)30-22(28)13-11-19-8-6-5-7-9-19/h5-9,11,13,17-18,20-21,23-24,27H,10,12,14-16H2,1-4H3/b13-11+/t18-,20-,21-,23-,24+,25-,26+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	62	n/a	n/a	n/a	n/a	n/a	n/a
University of Nebraska Medical Center Curated by ChEMBL					Assay Description Antagonist activity at TRPC4/TRPC1 in human A498 cells assessed as reduction in englerin A-induced calcium entry preincubated for 30 mins followed by...				J Med Chem 62: 7589-7602 (2019) Article DOI: 10.1021/acs.jmedchem.8b01954 BindingDB Entry DOI: 10.7270/Q2XS5ZR8
					More data for this Ligand-Target Pair
Short transient receptor potential channel 1 (Homo sapiens)	BDBM50450630 (CHEMBL101896) Show SMILES Fc1cnccc1C(=O)Nc1ccc(cc1)-n1nc(cc1C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C17H9F7N4O/c18-12-8-25-6-5-11(12)15(29)26-9-1-3-10(4-2-9)28-14(17(22,23)24)7-13(27-28)16(19,20)21/h1-8H,(H,26,29)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ del Piemonte Orientale Curated by ChEMBL					Assay Description Modulation of TRPC1/TRPC3/STIM1/Orai1 in HEK cells assessed as induction of store-operated calcium entry by measuring residual activity preincubated ...				J Med Chem 61: 9756-9783 (2018) Article DOI: 10.1021/acs.jmedchem.8b01512 BindingDB Entry DOI: 10.7270/Q2QV3Q2G
					More data for this Ligand-Target Pair
Short transient receptor potential channel 1 (Homo sapiens)	BDBM50450629 (CHEMBL4177187) Show SMILES [#6]-[#6]-[#8]-[#6](=O)-c1cnn(c1C(F)(F)F)-c1ccc(-[#7]-[#6](=O)-[#6](\Cl)=[#6](/Cl)Cl)cc1 Show InChI InChI=1S/C16H11Cl3F3N3O3/c1-2-28-15(27)10-7-23-25(12(10)16(20,21)22)9-5-3-8(4-6-9)24-14(26)11(17)13(18)19/h3-7H,2H2,1H3,(H,24,26)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ del Piemonte Orientale Curated by ChEMBL					Assay Description Modulation of TRPC1/TRPC3/STIM1/Orai1 in HEK cells assessed as induction of store-operated calcium entry by measuring residual activity preincubated ...				J Med Chem 61: 9756-9783 (2018) Article DOI: 10.1021/acs.jmedchem.8b01512 BindingDB Entry DOI: 10.7270/Q2QV3Q2G
					More data for this Ligand-Target Pair
Calcium release-activated calcium channel protein 1/Short transient receptor potential channel 1/Short transient receptor potential channel 3/Stromal interaction molecule 1 (Homo sapiens (Human))	BDBM50450626 (CHEMBL4162723) Show SMILES CCOC(=O)c1cnn(c1C(F)(F)F)-c1ccc(cc1)-n1cc(nn1)-c1cccc(c1)C(O)=O Show InChI InChI=1S/C22H16F3N5O4/c1-2-34-21(33)17-11-26-30(19(17)22(23,24)25)16-8-6-15(7-9-16)29-12-18(27-28-29)13-4-3-5-14(10-13)20(31)32/h3-12H,2H2,1H3,(H,31,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ del Piemonte Orientale Curated by ChEMBL					Assay Description Modulation of TRPC1/TRPC3/STIM1/Orai1 in HEK cells assessed as induction of store-operated calcium entry by measuring residual activity preincubated ...				J Med Chem 61: 9756-9783 (2018) Article DOI: 10.1021/acs.jmedchem.8b01512 BindingDB Entry DOI: 10.7270/Q2QV3Q2G
					More data for this Ligand-Target Pair
Short transient receptor potential channel 1 (Homo sapiens)	BDBM50450627 (CHEMBL4162062) Show SMILES CC(C)OC(=O)c1cnn(c1C(F)(F)F)-c1ccc(cc1)-n1cc(nn1)-c1cccc(c1)C(O)=O Show InChI InChI=1S/C23H18F3N5O4/c1-13(2)35-22(34)18-11-27-31(20(18)23(24,25)26)17-8-6-16(7-9-17)30-12-19(28-29-30)14-4-3-5-15(10-14)21(32)33/h3-13H,1-2H3,(H,32,33)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ del Piemonte Orientale Curated by ChEMBL					Assay Description Modulation of TRPC1/TRPC3/STIM1/Orai1 in HEK cells assessed as induction of store-operated calcium entry by measuring residual activity preincubated ...				J Med Chem 61: 9756-9783 (2018) Article DOI: 10.1021/acs.jmedchem.8b01512 BindingDB Entry DOI: 10.7270/Q2QV3Q2G
					More data for this Ligand-Target Pair
Short transient receptor potential channel 1 (Homo sapiens)	BDBM50450628 (CHEMBL4172741) Show SMILES CCCC(C)OC(=O)c1cnn(c1C(F)(F)F)-c1ccc(cc1)-n1cc(nn1)-c1cccc(c1)C(O)=O Show InChI InChI=1S/C25H22F3N5O4/c1-3-5-15(2)37-24(36)20-13-29-33(22(20)25(26,27)28)19-10-8-18(9-11-19)32-14-21(30-31-32)16-6-4-7-17(12-16)23(34)35/h4,6-15H,3,5H2,1-2H3,(H,34,35)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ del Piemonte Orientale Curated by ChEMBL					Assay Description Modulation of TRPC1/TRPC3/STIM1/Orai1 in HEK cells assessed as induction of store-operated calcium entry by measuring residual activity preincubated ...				J Med Chem 61: 9756-9783 (2018) Article DOI: 10.1021/acs.jmedchem.8b01512 BindingDB Entry DOI: 10.7270/Q2QV3Q2G
					More data for this Ligand-Target Pair