Compile Data Set for Download or QSAR

Found 32 hits with Last Name = 'di paola' and Initial = 'r'   

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
Nicotinamide phosphoribosyltransferase (Mus musculus)	BDBM50236217 (CHEMBL4061448) Show SMILES O=C(NCCCCCCCn1cc(nn1)-c1cccnc1)c1ccccc1-c1ccccc1 Show InChI InChI=1S/C27H29N5O/c33-27(25-16-8-7-15-24(25)22-12-5-4-6-13-22)29-18-9-2-1-3-10-19-32-21-26(30-31-32)23-14-11-17-28-20-23/h4-8,11-17,20-21H,1-3,9-10,18-19H2,(H,29,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.10	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi del Piemonte Orientale"A. Avogadro" Curated by ChEMBL					Assay Description Inhibition of recombinant mouse NAMPT expressed in bacterial expression system using nicotinamide as substrate after 1 hr by fluorescence based NMNAT...				J Med Chem 60: 1768-1792 (2017) Article DOI: 10.1021/acs.jmedchem.6b01392 BindingDB Entry DOI: 10.7270/Q2TQ63TK
					More data for this Ligand-Target Pair
Nicotinamide phosphoribosyltransferase (Mus musculus)	BDBM50236220 (CHEMBL4074848) Show SMILES C(CCCn1cc(nn1)-c1cccnc1)CCOc1ccccc1-c1ccccc1 Show InChI InChI=1S/C25H26N4O/c1(8-17-29-20-24(27-28-29)22-13-10-16-26-19-22)2-9-18-30-25-15-7-6-14-23(25)21-11-4-3-5-12-21/h3-7,10-16,19-20H,1-2,8-9,17-18H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.80	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi del Piemonte Orientale"A. Avogadro" Curated by ChEMBL					Assay Description Inhibition of recombinant mouse NAMPT expressed in bacterial expression system using nicotinamide as substrate after 1 hr by fluorescence based NMNAT...				J Med Chem 60: 1768-1792 (2017) Article DOI: 10.1021/acs.jmedchem.6b01392 BindingDB Entry DOI: 10.7270/Q2TQ63TK
					More data for this Ligand-Target Pair
Nicotinamide phosphoribosyltransferase (Homo sapiens (Human))	BDBM50236217 (CHEMBL4061448) Show SMILES O=C(NCCCCCCCn1cc(nn1)-c1cccnc1)c1ccccc1-c1ccccc1 Show InChI InChI=1S/C27H29N5O/c33-27(25-16-8-7-15-24(25)22-12-5-4-6-13-22)29-18-9-2-1-3-10-19-32-21-26(30-31-32)23-14-11-17-28-20-23/h4-8,11-17,20-21H,1-3,9-10,18-19H2,(H,29,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.90	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi del Piemonte Orientale"A. Avogadro" Curated by ChEMBL					Assay Description Inhibition of NAMPT in human Jurkat T cells assessed as reduction in NAD levels				J Med Chem 60: 1768-1792 (2017) Article DOI: 10.1021/acs.jmedchem.6b01392 BindingDB Entry DOI: 10.7270/Q2TQ63TK
					More data for this Ligand-Target Pair
Nicotinamide phosphoribosyltransferase (Mus musculus)	BDBM81395 (APO-866) Show SMILES O=C(NCCCCC1CCN(CC1)C(=O)c1ccccc1)\C=C\c1cccnc1 Show InChI InChI=1S/C24H29N3O2/c28-23(12-11-21-8-6-15-25-19-21)26-16-5-4-7-20-13-17-27(18-14-20)24(29)22-9-2-1-3-10-22/h1-3,6,8-12,15,19-20H,4-5,7,13-14,16-18H2,(H,26,28)/b12-11+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Patents	MMDB PDB Article PubMed	n/a	n/a	4.90	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi del Piemonte Orientale"A. Avogadro" Curated by ChEMBL					Assay Description Inhibition of recombinant mouse NAMPT expressed in bacterial expression system using nicotinamide as substrate after 1 hr by fluorescence based NMNAT...				J Med Chem 60: 1768-1792 (2017) Article DOI: 10.1021/acs.jmedchem.6b01392 BindingDB Entry DOI: 10.7270/Q2TQ63TK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nicotinamide phosphoribosyltransferase (Homo sapiens (Human))	BDBM50236220 (CHEMBL4074848) Show SMILES C(CCCn1cc(nn1)-c1cccnc1)CCOc1ccccc1-c1ccccc1 Show InChI InChI=1S/C25H26N4O/c1(8-17-29-20-24(27-28-29)22-13-10-16-26-19-22)2-9-18-30-25-15-7-6-14-23(25)21-11-4-3-5-12-21/h3-7,10-16,19-20H,1-2,8-9,17-18H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.70	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi del Piemonte Orientale"A. Avogadro" Curated by ChEMBL					Assay Description Inhibition of NAMPT in human Jurkat T cells assessed as reduction in NAD levels				J Med Chem 60: 1768-1792 (2017) Article DOI: 10.1021/acs.jmedchem.6b01392 BindingDB Entry DOI: 10.7270/Q2TQ63TK
					More data for this Ligand-Target Pair
Nicotinamide phosphoribosyltransferase (Homo sapiens (Human))	BDBM50236219 (CHEMBL4066091) Show SMILES C(CCCn1cc(nn1)-c1cccnc1)CCCn1cc(nn1)-c1ccccc1-c1ccccc1 Show InChI InChI=1S/C28H29N7/c1(2-9-18-34-21-27(30-32-34)24-14-11-17-29-20-24)3-10-19-35-22-28(31-33-35)26-16-8-7-15-25(26)23-12-5-4-6-13-23/h4-8,11-17,20-22H,1-3,9-10,18-19H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.80	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi del Piemonte Orientale"A. Avogadro" Curated by ChEMBL					Assay Description Inhibition of NAMPT in human Jurkat T cells assessed as reduction in NAD levels				J Med Chem 60: 1768-1792 (2017) Article DOI: 10.1021/acs.jmedchem.6b01392 BindingDB Entry DOI: 10.7270/Q2TQ63TK
					More data for this Ligand-Target Pair
Nicotinamide phosphoribosyltransferase (Mus musculus)	BDBM50236219 (CHEMBL4066091) Show SMILES C(CCCn1cc(nn1)-c1cccnc1)CCCn1cc(nn1)-c1ccccc1-c1ccccc1 Show InChI InChI=1S/C28H29N7/c1(2-9-18-34-21-27(30-32-34)24-14-11-17-29-20-24)3-10-19-35-22-28(31-33-35)26-16-8-7-15-25(26)23-12-5-4-6-13-23/h4-8,11-17,20-22H,1-3,9-10,18-19H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.10	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi del Piemonte Orientale"A. Avogadro" Curated by ChEMBL					Assay Description Inhibition of recombinant mouse NAMPT expressed in bacterial expression system using nicotinamide as substrate after 1 hr by fluorescence based NMNAT...				J Med Chem 60: 1768-1792 (2017) Article DOI: 10.1021/acs.jmedchem.6b01392 BindingDB Entry DOI: 10.7270/Q2TQ63TK
					More data for this Ligand-Target Pair
Nicotinamide phosphoribosyltransferase (Mus musculus)	BDBM50236221 (CHEMBL4078882) Show SMILES C(Cc1ccc(Cn2cc(nn2)-c2cccnc2)cc1)Oc1ccccc1-c1ccccc1 Show InChI InChI=1S/C28H24N4O/c1-2-7-24(8-3-1)26-10-4-5-11-28(26)33-18-16-22-12-14-23(15-13-22)20-32-21-27(30-31-32)25-9-6-17-29-19-25/h1-15,17,19,21H,16,18,20H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi del Piemonte Orientale"A. Avogadro" Curated by ChEMBL					Assay Description Inhibition of recombinant mouse NAMPT expressed in bacterial expression system using nicotinamide as substrate after 1 hr by fluorescence based NMNAT...				J Med Chem 60: 1768-1792 (2017) Article DOI: 10.1021/acs.jmedchem.6b01392 BindingDB Entry DOI: 10.7270/Q2TQ63TK
					More data for this Ligand-Target Pair
Nicotinamide phosphoribosyltransferase (Mus musculus)	BDBM50236223 (CHEMBL4083606) Show SMILES C(CCCCn1cc(nn1)-c1cccnc1)CCCOc1ccccc1-c1ccccc1 Show InChI InChI=1S/C27H30N4O/c1(3-10-19-31-22-26(29-30-31)24-15-12-18-28-21-24)2-4-11-20-32-27-17-9-8-16-25(27)23-13-6-5-7-14-23/h5-9,12-18,21-22H,1-4,10-11,19-20H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi del Piemonte Orientale"A. Avogadro" Curated by ChEMBL					Assay Description Inhibition of recombinant mouse NAMPT expressed in bacterial expression system using nicotinamide as substrate after 1 hr by fluorescence based NMNAT...				J Med Chem 60: 1768-1792 (2017) Article DOI: 10.1021/acs.jmedchem.6b01392 BindingDB Entry DOI: 10.7270/Q2TQ63TK
					More data for this Ligand-Target Pair
Nicotinamide phosphoribosyltransferase (Mus musculus)	BDBM50236222 (CHEMBL4101611) Show SMILES C(CCCOc1ccccc1-c1ccccc1)CCCn1cc(nn1)-c1cccnc1 Show InChI InChI=1S/C26H28N4O/c1(2-9-18-30-21-25(28-29-30)23-14-11-17-27-20-23)3-10-19-31-26-16-8-7-15-24(26)22-12-5-4-6-13-22/h4-8,11-17,20-21H,1-3,9-10,18-19H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi del Piemonte Orientale"A. Avogadro" Curated by ChEMBL					Assay Description Inhibition of recombinant mouse NAMPT expressed in bacterial expression system using nicotinamide as substrate after 1 hr by fluorescence based NMNAT...				J Med Chem 60: 1768-1792 (2017) Article DOI: 10.1021/acs.jmedchem.6b01392 BindingDB Entry DOI: 10.7270/Q2TQ63TK
					More data for this Ligand-Target Pair
Nicotinamide phosphoribosyltransferase (Mus musculus)	BDBM50236224 (CHEMBL4088492) Show SMILES O=C(NCCCCCCCn1cc(nn1)-c1cccnc1)Nc1ccccc1-c1ccccc1 Show InChI InChI=1S/C27H30N6O/c34-27(30-25-16-8-7-15-24(25)22-12-5-4-6-13-22)29-18-9-2-1-3-10-19-33-21-26(31-32-33)23-14-11-17-28-20-23/h4-8,11-17,20-21H,1-3,9-10,18-19H2,(H2,29,30,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi del Piemonte Orientale"A. Avogadro" Curated by ChEMBL					Assay Description Inhibition of recombinant mouse NAMPT expressed in bacterial expression system using nicotinamide as substrate after 1 hr by fluorescence based NMNAT...				J Med Chem 60: 1768-1792 (2017) Article DOI: 10.1021/acs.jmedchem.6b01392 BindingDB Entry DOI: 10.7270/Q2TQ63TK
					More data for this Ligand-Target Pair
Nicotinamide phosphoribosyltransferase (Mus musculus)	BDBM50236216 (CHEMBL4064240) Show SMILES O=S(=O)(NCCCCCCCCn1cc(nn1)-c1cccnc1)c1ccccc1-c1ccccc1 Show InChI InChI=1S/C27H31N5O2S/c33-35(34,27-17-9-8-16-25(27)23-13-6-5-7-14-23)29-19-10-3-1-2-4-11-20-32-22-26(30-31-32)24-15-12-18-28-21-24/h5-9,12-18,21-22,29H,1-4,10-11,19-20H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	47	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi del Piemonte Orientale"A. Avogadro" Curated by ChEMBL					Assay Description Inhibition of recombinant mouse NAMPT expressed in bacterial expression system using nicotinamide as substrate after 1 hr by fluorescence based NMNAT...				J Med Chem 60: 1768-1792 (2017) Article DOI: 10.1021/acs.jmedchem.6b01392 BindingDB Entry DOI: 10.7270/Q2TQ63TK
					More data for this Ligand-Target Pair
Nicotinamide phosphoribosyltransferase (Mus musculus)	BDBM50236218 (CHEMBL4094769) Show SMILES O=C(CCCCCCCc1cc(on1)-c1cccnc1)Nc1ccccc1-c1ccccc1 Show InChI InChI=1S/C28H29N3O2/c32-28(30-26-17-10-9-16-25(26)22-12-5-4-6-13-22)18-8-3-1-2-7-15-24-20-27(33-31-24)23-14-11-19-29-21-23/h4-6,9-14,16-17,19-21H,1-3,7-8,15,18H2,(H,30,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi del Piemonte Orientale"A. Avogadro" Curated by ChEMBL					Assay Description Inhibition of recombinant mouse NAMPT expressed in bacterial expression system using nicotinamide as substrate after 1 hr by fluorescence based NMNAT...				J Med Chem 60: 1768-1792 (2017) Article DOI: 10.1021/acs.jmedchem.6b01392 BindingDB Entry DOI: 10.7270/Q2TQ63TK
					More data for this Ligand-Target Pair
Calcium release-activated calcium channel protein/Stromal interaction molecule 1 (Homo sapiens (Human))	BDBM50549365 (CHEMBL3403742) Show SMILES COc1ccc(OC)c(c1)-c1ccc(NC(=O)c2ccncc2F)cc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	228	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of STIM1/Orai1 (unknown origin) expressed in HEK293 cells assessed as reduction in tBHQ-induced calcium response				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01305 BindingDB Entry DOI: 10.7270/Q2HH6PPZ
					More data for this Ligand-Target Pair
Nicotinamide phosphoribosyltransferase (Mus musculus)	BDBM50236215 (CHEMBL4087071) Show SMILES O=C(CCCCCCCc1nnc([nH]1)-c1cccnc1)Nc1ccccc1-c1ccccc1 Show InChI InChI=1S/C27H29N5O/c33-26(29-24-16-10-9-15-23(24)21-12-5-4-6-13-21)18-8-3-1-2-7-17-25-30-27(32-31-25)22-14-11-19-28-20-22/h4-6,9-16,19-20H,1-3,7-8,17-18H2,(H,29,33)(H,30,31,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	269	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi del Piemonte Orientale"A. Avogadro" Curated by ChEMBL					Assay Description Inhibition of recombinant mouse NAMPT expressed in bacterial expression system using nicotinamide as substrate after 1 hr by fluorescence based NMNAT...				J Med Chem 60: 1768-1792 (2017) Article DOI: 10.1021/acs.jmedchem.6b01392 BindingDB Entry DOI: 10.7270/Q2TQ63TK
					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
Calcium release-activated calcium channel protein/Stromal interaction molecule 1 (Homo sapiens (Human))	BDBM50549358 (CHEMBL4753023) Show SMILES COc1ccc(F)c(c1)-c1ccc(cc1)-n1cc(nn1)-c1cccc(c1)C(O)=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	361	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of STIM1/Orai1 (unknown origin) expressed in HEK293 cells assessed as reduction in tBHQ-induced calcium response				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01305 BindingDB Entry DOI: 10.7270/Q2HH6PPZ
					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
Calcium release-activated calcium channel protein/Stromal interaction molecule 1 (Homo sapiens (Human))	BDBM50549357 (CHEMBL4794288) Show SMILES COc1cccc(-c2ccc(cc2)-c2cn(nn2)-c2cccc(c2)C(O)=O)c1OC Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	781	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of STIM1/Orai1 (unknown origin) expressed in HEK293 cells assessed as reduction in tBHQ-induced calcium response				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01305 BindingDB Entry DOI: 10.7270/Q2HH6PPZ
					More data for this Ligand-Target Pair
Calcium release-activated calcium channel protein/Stromal interaction molecule 1 (Homo sapiens (Human))	BDBM50549360 (CHEMBL4780000) Show SMILES COc1cc(OC)cc(c1)-c1ccc(cc1)-n1cc(nn1)-c1cccc(c1)C(O)=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	802	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of STIM1/Orai1 (unknown origin) expressed in HEK293 cells assessed as reduction in tBHQ-induced calcium response				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01305 BindingDB Entry DOI: 10.7270/Q2HH6PPZ
					More data for this Ligand-Target Pair
Calcium release-activated calcium channel protein/Stromal interaction molecule 1 (Homo sapiens (Human))	BDBM50549363 (CHEMBL4751678) Show SMILES COc1cccc(c1)-c1ccc(cc1)-n1cc(nn1)-c1cccc(c1)C(O)=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	807	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of STIM1/Orai1 (unknown origin) expressed in HEK293 cells assessed as reduction in tBHQ-induced calcium response				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01305 BindingDB Entry DOI: 10.7270/Q2HH6PPZ
					More data for this Ligand-Target Pair
Calcium release-activated calcium channel protein/Stromal interaction molecule 1 (Homo sapiens (Human))	BDBM50549362 (CHEMBL4761656) Show SMILES COc1cccc(-c2ccc(cc2)-n2cc(nn2)-c2cccc(c2)C(O)=O)c1OC Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	851	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of STIM1/Orai1 (unknown origin) expressed in HEK293 cells assessed as reduction in tBHQ-induced calcium response				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01305 BindingDB Entry DOI: 10.7270/Q2HH6PPZ
					More data for this Ligand-Target Pair
Calcium release-activated calcium channel protein/Stromal interaction molecule 1 (Homo sapiens (Human))	BDBM50549356 (CHEMBL4799904) Show SMILES COc1ccc(F)c(c1)-c1ccc(cc1)-c1cn(nn1)-c1cccc(c1)C(O)=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	866	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of STIM1/Orai1 (unknown origin) expressed in HEK293 cells assessed as reduction in tBHQ-induced calcium response				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01305 BindingDB Entry DOI: 10.7270/Q2HH6PPZ
					More data for this Ligand-Target Pair
Calcium release-activated calcium channel protein/Stromal interaction molecule 1 (Homo sapiens (Human))	BDBM50549359 (CHEMBL4750981) Show SMILES OC(=O)c1cccc(c1)-c1cn(nn1)-c1ccc(cc1)-c1ccc2OCCOc2c1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of STIM1/Orai1 (unknown origin) expressed in HEK293 cells assessed as reduction in tBHQ-induced calcium response				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01305 BindingDB Entry DOI: 10.7270/Q2HH6PPZ
					More data for this Ligand-Target Pair
Calcium release-activated calcium channel protein/Stromal interaction molecule 1 (Homo sapiens (Human))	BDBM50549361 (CHEMBL4742227) Show SMILES OC(=O)c1cccc(c1)-c1cn(nn1)-c1ccc(cc1)-c1cccc2OCCOc12 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.62E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of STIM1/Orai1 (unknown origin) expressed in HEK293 cells assessed as reduction in tBHQ-induced calcium response				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01305 BindingDB Entry DOI: 10.7270/Q2HH6PPZ
					More data for this Ligand-Target Pair
Calcium release-activated calcium channel protein/Stromal interaction molecule 1 (Homo sapiens (Human))	BDBM50549364 (CHEMBL4742960) Show SMILES COc1ccc(OC)c(c1)-c1ccc(cc1)-c1cn(nn1)-c1cccc(c1)C(O)=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.79E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of STIM1/Orai1 (unknown origin) expressed in HEK293 cells assessed as reduction in tBHQ-induced calcium response				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01305 BindingDB Entry DOI: 10.7270/Q2HH6PPZ
					More data for this Ligand-Target Pair
Stromal interaction molecule 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)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ del Piemonte Orientale Curated by ChEMBL					Assay Description Inhibition of STIM1/STIM2/Orai1 (unknown origin) expressed in mouse BV2 cells assessed as reduction of store-operated calcium entry at 100 uM preincu...				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
Calcium release-activated calcium channel protein/Stromal interaction molecule 1 (Homo sapiens (Human))	BDBM50018011 (Aubagio | CHEBI:68540 | HMR-1726 | TERIFLUNOMIDE) Show SMILES C\C(O)=C(/C#N)C(=O)Nc1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C12H9F3N2O2/c1-7(18)10(6-16)11(19)17-9-4-2-8(3-5-9)12(13,14)15/h2-5,18H,1H3,(H,17,19)/b10-7-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	4.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of STIM1/Orai1 (unknown origin) expressed in HEK293 cells assessed as reduction in tBHQ-induced calcium response				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01305 BindingDB Entry DOI: 10.7270/Q2HH6PPZ
					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
Stromal interaction molecule 1 (Homo sapiens)	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 GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ del Piemonte Orientale Curated by ChEMBL					Assay Description Inhibition of STIM1/STIM2/Orai1 (unknown origin) expressed in mouse BV2 cells assessed as induction of store-operated calcium entry by measuring resi...				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