Compile Data Set for Download or QSAR

Found 537 hits with Last Name = 'widler' and Initial = 'l'   

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
Extracellular calcium-sensing receptor (Homo sapiens (Human))	BDBM50308093 (1-[3-(2-Hydroxy-ethoxy)-benzyl]-4-(4-isopropyl-phe...) Show SMILES CC(C)c1ccc(cc1)-c1nc(=S)n(Cc2cccc(OCCO)c2)c2ccc(OCC#C)cc12 Show InChI InChI=1S/C29H28N2O3S/c1-4-15-33-25-12-13-27-26(18-25)28(23-10-8-22(9-11-23)20(2)3)30-29(35)31(27)19-21-6-5-7-24(17-21)34-16-14-32/h1,5-13,17-18,20,32H,14-16,19H2,2-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Antagonist activity at human CaSR expressed in CCL39 cells assessed as inhibition of extracellular calcium-induced intracellular calcium transient by...				J Med Chem 53: 2250-63 (2010) Article DOI: 10.1021/jm901811v BindingDB Entry DOI: 10.7270/Q2Q240BT
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50097971 (CHEMBL262276 | methyl 2-(4-(4-amino-5-(3-hydroxyph...) Show SMILES COC(=O)CN1CCC(CC1)n1cc(-c2cccc(O)c2)c2c(N)ncnc12 Show InChI InChI=1S/C20H23N5O3/c1-28-17(27)11-24-7-5-14(6-8-24)25-10-16(13-3-2-4-15(26)9-13)18-19(21)22-12-23-20(18)25/h2-4,9-10,12,14,26H,5-8,11H2,1H3,(H2,21,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma Research Curated by ChEMBL					Assay Description Concentration required for inhibition of v-Abl receptor by tyrosine kinase enzyme assay				Bioorg Med Chem Lett 11: 853-6 (2001) BindingDB Entry DOI: 10.7270/Q29P30XJ
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50097979 (2-(4-(4-amino-5-(3-hydroxyphenyl)-7H-pyrrolo[2,3-d...) Show SMILES NC(=O)CN1CCC(CC1)n1cc(-c2cccc(O)c2)c2c(N)ncnc12 Show InChI InChI=1S/C19H22N6O2/c20-16(27)10-24-6-4-13(5-7-24)25-9-15(12-2-1-3-14(26)8-12)17-18(21)22-11-23-19(17)25/h1-3,8-9,11,13,26H,4-7,10H2,(H2,20,27)(H2,21,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma Research Curated by ChEMBL					Assay Description Inhibition of p60 c-Src tyrosine kinase enzyme activity in liquid-phase tyrosine phosphorylation assay at 830 ng/mL				Bioorg Med Chem Lett 11: 853-6 (2001) BindingDB Entry DOI: 10.7270/Q29P30XJ
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50097967 (3-(4-amino-7-(1-(2-hydroxyethyl)piperidin-4-yl)-7H...) Show SMILES Nc1ncnc2n(cc(-c3cccc(O)c3)c12)C1CCN(CCO)CC1 Show InChI InChI=1S/C19H23N5O2/c20-18-17-16(13-2-1-3-15(26)10-13)11-24(19(17)22-12-21-18)14-4-6-23(7-5-14)8-9-25/h1-3,10-12,14,25-26H,4-9H2,(H2,20,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma Research Curated by ChEMBL					Assay Description Inhibition of p60 c-Src tyrosine kinase enzyme activity in liquid-phase tyrosine phosphorylation assay at 830 ng/mL				Bioorg Med Chem Lett 11: 853-6 (2001) BindingDB Entry DOI: 10.7270/Q29P30XJ
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Gallus gallus (Chicken))	BDBM50097956 (3-(4-Amino-7-cyclopentyl-7H-pyrrolo[2,3-d]pyrimidi...) Show SMILES Nc1ncnc2n(cc(-c3cccc(O)c3)c12)C1CCCC1 Show InChI InChI=1S/C17H18N4O/c18-16-15-14(11-4-3-7-13(22)8-11)9-21(12-5-1-2-6-12)17(15)20-10-19-16/h3-4,7-10,12,22H,1-2,5-6H2,(H2,18,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma Research Curated by ChEMBL					Assay Description Inhibition of p60 c-Src tyrosine kinase activity				Bioorg Med Chem Lett 11: 849-52 (2001) BindingDB Entry DOI: 10.7270/Q2FF3RMF
					More data for this Ligand-Target Pair
Extracellular calcium-sensing receptor (Homo sapiens (Human))	BDBM50308090 (1-(3-Ethoxy-4-methoxy-benzyl)-4-(4-isopropyl-pheny...) Show SMILES CCOc1cc(Cn2c3ccc(OCC#C)cc3c(nc2=O)-c2ccc(cc2)C(C)C)ccc1OC Show InChI InChI=1S/C30H30N2O4/c1-6-16-36-24-13-14-26-25(18-24)29(23-11-9-22(10-12-23)20(3)4)31-30(33)32(26)19-21-8-15-27(34-5)28(17-21)35-7-2/h1,8-15,17-18,20H,7,16,19H2,2-5H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Antagonist activity at human CaSR expressed in CCL39 cells assessed as inhibition of extracellular calcium-induced intracellular calcium transient by...				J Med Chem 53: 2250-63 (2010) Article DOI: 10.1021/jm901811v BindingDB Entry DOI: 10.7270/Q2Q240BT
					More data for this Ligand-Target Pair
Extracellular calcium-sensing receptor (Homo sapiens (Human))	BDBM50308081 (4-(4-Isopropyl-phenyl)-1-(4-methyl-benzyl)-6-propa...) Show SMILES CC(C)c1ccc(cc1)-c1nc(=O)n(Cc2ccc(C)cc2)c2ccc(OCC#C)cc12 Show InChI InChI=1S/C28H26N2O2/c1-5-16-32-24-14-15-26-25(17-24)27(23-12-10-22(11-13-23)19(2)3)29-28(31)30(26)18-21-8-6-20(4)7-9-21/h1,6-15,17,19H,16,18H2,2-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Antagonist activity at human CaSR expressed in CCL39 cells assessed as inhibition of extracellular calcium-induced intracellular calcium transient by...				J Med Chem 53: 2250-63 (2010) Article DOI: 10.1021/jm901811v BindingDB Entry DOI: 10.7270/Q2Q240BT
					More data for this Ligand-Target Pair
Extracellular calcium-sensing receptor (Homo sapiens (Human))	BDBM50325523 (2-(4-isopropylphenyl)-7-methoxy-1-(2-methoxyethyl)...) Show SMILES COCCn1c(nc2c(c(Cc3cccnc3SC)cc(OC)c12)C(F)(F)F)-c1ccc(cc1)C(C)C Show InChI InChI=1S/C28H30F3N3O2S/c1-17(2)18-8-10-19(11-9-18)26-33-24-23(28(29,30)31)21(15-20-7-6-12-32-27(20)37-5)16-22(36-4)25(24)34(26)13-14-35-3/h6-12,16-17H,13-15H2,1-5H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Antagonist activity at human CaSR expressed in hamster fibroblasts assessed as inhibition of calcium mobilization				Bioorg Med Chem Lett 20: 5161-4 (2010) Article DOI: 10.1016/j.bmcl.2010.07.016 BindingDB Entry DOI: 10.7270/Q2H70G1X
					More data for this Ligand-Target Pair
Extracellular calcium-sensing receptor (Homo sapiens (Human))	BDBM50308087 (4-(4-Isopropyl-phenyl)-1-(3-methyl-benzyl)-6-propa...) Show SMILES CC(C)c1ccc(cc1)-c1nc(=O)n(Cc2cccc(C)c2)c2ccc(OCC#C)cc12 Show InChI InChI=1S/C28H26N2O2/c1-5-15-32-24-13-14-26-25(17-24)27(23-11-9-22(10-12-23)19(2)3)29-28(31)30(26)18-21-8-6-7-20(4)16-21/h1,6-14,16-17,19H,15,18H2,2-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Antagonist activity at human CaSR expressed in CCL39 cells assessed as inhibition of extracellular calcium-induced intracellular calcium transient by...				J Med Chem 53: 2250-63 (2010) Article DOI: 10.1021/jm901811v BindingDB Entry DOI: 10.7270/Q2Q240BT
					More data for this Ligand-Target Pair
Extracellular calcium-sensing receptor (Homo sapiens (Human))	BDBM50325525 (2-((2-(4-isopropylphenyl)-7-methoxy-1-(2-methoxyet...) Show SMILES COCCn1c(nc2c(c(Cc3nccs3)cc(OC)c12)C(F)(F)F)-c1ccc(cc1)C(C)C Show InChI InChI=1S/C25H26F3N3O2S/c1-15(2)16-5-7-17(8-6-16)24-30-22-21(25(26,27)28)18(14-20-29-9-12-34-20)13-19(33-4)23(22)31(24)10-11-32-3/h5-9,12-13,15H,10-11,14H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Antagonist activity at human CaSR expressed in hamster fibroblasts assessed as inhibition of calcium mobilization				Bioorg Med Chem Lett 20: 5161-4 (2010) Article DOI: 10.1016/j.bmcl.2010.07.016 BindingDB Entry DOI: 10.7270/Q2H70G1X
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Gallus gallus (Chicken))	BDBM50097939 (7-Cyclopentyl-5-(3-methoxy-phenyl)-7H-pyrrolo[2,3-...) Show SMILES COc1cccc(c1)-c1cn(C2CCCC2)c2ncnc(N)c12 Show InChI InChI=1S/C18H20N4O/c1-23-14-8-4-5-12(9-14)15-10-22(13-6-2-3-7-13)18-16(15)17(19)20-11-21-18/h4-5,8-11,13H,2-3,6-7H2,1H3,(H2,19,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma Research Curated by ChEMBL					Assay Description Inhibition of p60 c-Src tyrosine kinase activity				Bioorg Med Chem Lett 11: 849-52 (2001) BindingDB Entry DOI: 10.7270/Q2FF3RMF
					More data for this Ligand-Target Pair
Extracellular calcium-sensing receptor (Homo sapiens (Human))	BDBM50308103 (CHEMBL590539 | N-{3-[4-(4-Isopropyl-pheny)-2-oxo-6...) Show SMILES CC(C)c1ccc(cc1)-c1nc(=O)n(Cc2cccc(NC(=O)CN3CCN(C)CC3)c2)c2ccc(OCC#C)cc12 Show InChI InChI=1S/C34H37N5O3/c1-5-19-42-29-13-14-31-30(21-29)33(27-11-9-26(10-12-27)24(2)3)36-34(41)39(31)22-25-7-6-8-28(20-25)35-32(40)23-38-17-15-37(4)16-18-38/h1,6-14,20-21,24H,15-19,22-23H2,2-4H3,(H,35,40)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Antagonist activity at human CaSR expressed in CCL39 cells assessed as inhibition of extracellular calcium-induced intracellular calcium transient by...				J Med Chem 53: 2250-63 (2010) Article DOI: 10.1021/jm901811v BindingDB Entry DOI: 10.7270/Q2Q240BT
					More data for this Ligand-Target Pair
Extracellular calcium-sensing receptor (Homo sapiens (Human))	BDBM50308108 (1-Benzyl-5-cyclopropylmethyl-6-hydroxy-4-(4-isopro...) Show SMILES CC(C)c1ccc(cc1)-c1nc(=O)n(Cc2ccccc2)c2ccc(O)c(CC3CC3)c12 Show InChI InChI=1S/C28H28N2O2/c1-18(2)21-10-12-22(13-11-21)27-26-23(16-19-8-9-19)25(31)15-14-24(26)30(28(32)29-27)17-20-6-4-3-5-7-20/h3-7,10-15,18-19,31H,8-9,16-17H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Antagonist activity at human CaSR expressed in CCL39 cells assessed as inhibition of extracellular calcium-induced intracellular calcium transient by...				J Med Chem 53: 2250-63 (2010) Article DOI: 10.1021/jm901811v BindingDB Entry DOI: 10.7270/Q2Q240BT
					More data for this Ligand-Target Pair
Extracellular calcium-sensing receptor (Homo sapiens (Human))	BDBM50325524 (2-(4-isopropylphenyl)-7-methoxy-1-(2-methoxyethyl)...) Show SMILES COCCn1c(nc2c(c(Cc3cccnc3S(C)=O)cc(OC)c12)C(F)(F)F)-c1ccc(cc1)C(C)C Show InChI InChI=1S/C28H30F3N3O3S/c1-17(2)18-8-10-19(11-9-18)26-33-24-23(28(29,30)31)21(15-20-7-6-12-32-27(20)38(5)35)16-22(37-4)25(24)34(26)13-14-36-3/h6-12,16-17H,13-15H2,1-5H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Antagonist activity at human CaSR expressed in hamster fibroblasts assessed as inhibition of calcium mobilization				Bioorg Med Chem Lett 20: 5161-4 (2010) Article DOI: 10.1016/j.bmcl.2010.07.016 BindingDB Entry DOI: 10.7270/Q2H70G1X
					More data for this Ligand-Target Pair
Extracellular calcium-sensing receptor (Homo sapiens (Human))	BDBM50308089 (1-(3-Methoxy-benzyl)-4-(4-isopropyl-phenyl)-6-prop...) Show SMILES COc1cccc(Cn2c3ccc(OCC#C)cc3c(nc2=O)-c2ccc(cc2)C(C)C)c1 Show InChI InChI=1S/C28H26N2O3/c1-5-15-33-24-13-14-26-25(17-24)27(22-11-9-21(10-12-22)19(2)3)29-28(31)30(26)18-20-7-6-8-23(16-20)32-4/h1,6-14,16-17,19H,15,18H2,2-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Antagonist activity at human CaSR expressed in CCL39 cells assessed as inhibition of extracellular calcium-induced intracellular calcium transient by...				J Med Chem 53: 2250-63 (2010) Article DOI: 10.1021/jm901811v BindingDB Entry DOI: 10.7270/Q2Q240BT
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50097958 (2-(4-(4-amino-5-(3-hydroxyphenyl)-7H-pyrrolo[2,3-d...) Show SMILES CN(C)C(=O)CN1CCC(CC1)n1cc(-c2cccc(O)c2)c2c(N)ncnc12 Show InChI InChI=1S/C21H26N6O2/c1-25(2)18(29)12-26-8-6-15(7-9-26)27-11-17(14-4-3-5-16(28)10-14)19-20(22)23-13-24-21(19)27/h3-5,10-11,13,15,28H,6-9,12H2,1-2H3,(H2,22,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma Research Curated by ChEMBL					Assay Description Inhibition of p60 c-Src tyrosine kinase enzyme activity in liquid-phase tyrosine phosphorylation assay at 830 ng/mL				Bioorg Med Chem Lett 11: 853-6 (2001) BindingDB Entry DOI: 10.7270/Q29P30XJ
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50097991 (CHEMBL355019 | {3-[4-Amino-5-(3-hydroxy-phenyl)-py...) Show SMILES COC(=O)CN1CCC(C1)n1cc(-c2cccc(O)c2)c2c(N)ncnc12 Show InChI InChI=1S/C19H21N5O3/c1-27-16(26)10-23-6-5-13(8-23)24-9-15(12-3-2-4-14(25)7-12)17-18(20)21-11-22-19(17)24/h2-4,7,9,11,13,25H,5-6,8,10H2,1H3,(H2,20,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma Research Curated by ChEMBL					Assay Description Inhibition of p60 c-Src tyrosine kinase enzyme activity in liquid-phase tyrosine phosphorylation assay at 830 ng/mL				Bioorg Med Chem Lett 11: 853-6 (2001) BindingDB Entry DOI: 10.7270/Q29P30XJ
					More data for this Ligand-Target Pair
Extracellular calcium-sensing receptor (Homo sapiens (Human))	BDBM50308091 (CHEMBL597194 | {3-[4-(4-Isopropyl-phenyl)-2-oxo-6-...) Show SMILES CC(C)c1ccc(cc1)-c1nc(=O)n(Cc2cccc(OCC(O)=O)c2)c2ccc(OCC#C)cc12 Show InChI InChI=1S/C29H26N2O5/c1-4-14-35-24-12-13-26-25(16-24)28(22-10-8-21(9-11-22)19(2)3)30-29(34)31(26)17-20-6-5-7-23(15-20)36-18-27(32)33/h1,5-13,15-16,19H,14,17-18H2,2-3H3,(H,32,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Antagonist activity at human CaSR expressed in CCL39 cells assessed as inhibition of extracellular calcium-induced intracellular calcium transient by...				J Med Chem 53: 2250-63 (2010) Article DOI: 10.1021/jm901811v BindingDB Entry DOI: 10.7270/Q2Q240BT
					More data for this Ligand-Target Pair
Extracellular calcium-sensing receptor (Homo sapiens (Human))	BDBM50308106 (5-Allyl-1-benzyl-6-hydroxy-4-(4-isopropyl-phenyl)-...) Show SMILES CC(C)c1ccc(cc1)-c1nc(=O)n(Cc2ccccc2)c2ccc(O)c(CC=C)c12 Show InChI InChI=1S/C27H26N2O2/c1-4-8-22-24(30)16-15-23-25(22)26(21-13-11-20(12-14-21)18(2)3)28-27(31)29(23)17-19-9-6-5-7-10-19/h4-7,9-16,18,30H,1,8,17H2,2-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.90	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Antagonist activity at human CaSR expressed in CCL39 cells assessed as inhibition of extracellular calcium-induced intracellular calcium transient by...				J Med Chem 53: 2250-63 (2010) Article DOI: 10.1021/jm901811v BindingDB Entry DOI: 10.7270/Q2Q240BT
					More data for this Ligand-Target Pair
Extracellular calcium-sensing receptor (Homo sapiens (Human))	BDBM50325521 (2-(4-isopropylphenyl)-7-methoxy-1-(2-methoxyethyl)...) Show SMILES COCCn1c(nc2c(c(Cc3cccnc3OC)cc(OC)c12)C(F)(F)F)-c1ccc(cc1)C(C)C Show InChI InChI=1S/C28H30F3N3O3/c1-17(2)18-8-10-19(11-9-18)26-33-24-23(28(29,30)31)21(15-20-7-6-12-32-27(20)37-5)16-22(36-4)25(24)34(26)13-14-35-3/h6-12,16-17H,13-15H2,1-5H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Antagonist activity at human CaSR expressed in hamster fibroblasts assessed as inhibition of calcium mobilization				Bioorg Med Chem Lett 20: 5161-4 (2010) Article DOI: 10.1016/j.bmcl.2010.07.016 BindingDB Entry DOI: 10.7270/Q2H70G1X
					More data for this Ligand-Target Pair
Extracellular calcium-sensing receptor (Homo sapiens (Human))	BDBM50325522 (4-bromo-2-(4-isopropylphenyl)-7-methoxy-1-(2-metho...) Show SMILES COCCn1c(nc2c(Br)c(Cc3cccnc3SC)cc(OC)c12)-c1ccc(cc1)C(C)C Show InChI InChI=1S/C27H30BrN3O2S/c1-17(2)18-8-10-19(11-9-18)26-30-24-23(28)21(15-20-7-6-12-29-27(20)34-5)16-22(33-4)25(24)31(26)13-14-32-3/h6-12,16-17H,13-15H2,1-5H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Antagonist activity at human CaSR expressed in hamster fibroblasts assessed as inhibition of calcium mobilization				Bioorg Med Chem Lett 20: 5161-4 (2010) Article DOI: 10.1016/j.bmcl.2010.07.016 BindingDB Entry DOI: 10.7270/Q2H70G1X
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Gallus gallus (Chicken))	BDBM50097942 (3-(4-Amino-7-cyclobutyl-7H-pyrrolo[2,3-d]pyrimidin...) Show SMILES Nc1ncnc2n(cc(-c3cccc(O)c3)c12)C1CCC1 Show InChI InChI=1S/C16H16N4O/c17-15-14-13(10-3-1-6-12(21)7-10)8-20(11-4-2-5-11)16(14)19-9-18-15/h1,3,6-9,11,21H,2,4-5H2,(H2,17,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma Research Curated by ChEMBL					Assay Description Inhibition of p60 c-Src tyrosine kinase mediated phosphorylation of Fak in IC8.1 fibroblasts				Bioorg Med Chem Lett 11: 849-52 (2001) BindingDB Entry DOI: 10.7270/Q2FF3RMF
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50097962 (2-{3-[4-Amino-5-(3-hydroxy-phenyl)-pyrrolo[2,3-d]p...) Show SMILES NC(=O)CN1CCC(C1)n1cc(-c2cccc(O)c2)c2c(N)ncnc12 Show InChI InChI=1S/C18H20N6O2/c19-15(26)9-23-5-4-12(7-23)24-8-14(11-2-1-3-13(25)6-11)16-17(20)21-10-22-18(16)24/h1-3,6,8,10,12,25H,4-5,7,9H2,(H2,19,26)(H2,20,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma Research Curated by ChEMBL					Assay Description Inhibition of p60 c-Src tyrosine kinase enzyme activity in liquid-phase tyrosine phosphorylation assay at 830 ng/mL				Bioorg Med Chem Lett 11: 853-6 (2001) BindingDB Entry DOI: 10.7270/Q29P30XJ
					More data for this Ligand-Target Pair
Extracellular calcium-sensing receptor (Homo sapiens (Human))	BDBM50308082 (1-(4-Ethyl-benzyl)-4-(4-isopropyl-phenyl)-6-propar...) Show SMILES CCc1ccc(Cn2c3ccc(OCC#C)cc3c(nc2=O)-c2ccc(cc2)C(C)C)cc1 Show InChI InChI=1S/C29H28N2O2/c1-5-17-33-25-15-16-27-26(18-25)28(24-13-11-23(12-14-24)20(3)4)30-29(32)31(27)19-22-9-7-21(6-2)8-10-22/h1,7-16,18,20H,6,17,19H2,2-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.20	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Antagonist activity at human CaSR expressed in CCL39 cells assessed as inhibition of extracellular calcium-induced intracellular calcium transient by...				J Med Chem 53: 2250-63 (2010) Article DOI: 10.1021/jm901811v BindingDB Entry DOI: 10.7270/Q2Q240BT
					More data for this Ligand-Target Pair
Extracellular calcium-sensing receptor (Homo sapiens (Human))	BDBM50308084 (4-(4-Isopropyl-phenyl)-1-(4-methoxy-benzyl)-6-prop...) Show SMILES COc1ccc(Cn2c3ccc(OCC#C)cc3c(nc2=O)-c2ccc(cc2)C(C)C)cc1 Show InChI InChI=1S/C28H26N2O3/c1-5-16-33-24-14-15-26-25(17-24)27(22-10-8-21(9-11-22)19(2)3)29-28(31)30(26)18-20-6-12-23(32-4)13-7-20/h1,6-15,17,19H,16,18H2,2-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.20	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Antagonist activity at human CaSR expressed in CCL39 cells assessed as inhibition of extracellular calcium-induced intracellular calcium transient by...				J Med Chem 53: 2250-63 (2010) Article DOI: 10.1021/jm901811v BindingDB Entry DOI: 10.7270/Q2Q240BT
					More data for this Ligand-Target Pair
Extracellular calcium-sensing receptor (Homo sapiens (Human))	BDBM50308080 (1-Benzyl-4-(4-isopropyl-phenyl)-6-propargyloxy-1H-...) Show SMILES CC(C)c1ccc(cc1)-c1nc(=O)n(Cc2ccccc2)c2ccc(OCC#C)cc12 Show InChI InChI=1S/C27H24N2O2/c1-4-16-31-23-14-15-25-24(17-23)26(22-12-10-21(11-13-22)19(2)3)28-27(30)29(25)18-20-8-6-5-7-9-20/h1,5-15,17,19H,16,18H2,2-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.40	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Antagonist activity at human CaSR expressed in CCL39 cells assessed as inhibition of extracellular calcium-induced intracellular calcium transient by...				J Med Chem 53: 2250-63 (2010) Article DOI: 10.1021/jm901811v BindingDB Entry DOI: 10.7270/Q2Q240BT
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1/ABL2 (Homo sapiens (Human))	BDBM50097942 (3-(4-Amino-7-cyclobutyl-7H-pyrrolo[2,3-d]pyrimidin...) Show SMILES Nc1ncnc2n(cc(-c3cccc(O)c3)c12)C1CCC1 Show InChI InChI=1S/C16H16N4O/c17-15-14-13(10-3-1-6-12(21)7-10)8-20(11-4-2-5-11)16(14)19-9-18-15/h1,3,6-9,11,21H,2,4-5H2,(H2,17,18,19)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma Research Curated by ChEMBL					Assay Description Inhibition of v-Abl tyrosine kinase activity				Bioorg Med Chem Lett 11: 849-52 (2001) BindingDB Entry DOI: 10.7270/Q2FF3RMF
					More data for this Ligand-Target Pair
Extracellular calcium-sensing receptor (Homo sapiens (Human))	BDBM50325515 (5-benzyl-4-bromo-2-(4-isopropylphenyl)-7-methoxy-1...) Show SMILES COCCn1c(nc2c(Br)c(Cc3ccccc3)cc(OC)c12)-c1ccc(cc1)C(C)C Show InChI InChI=1S/C27H29BrN2O2/c1-18(2)20-10-12-21(13-11-20)27-29-25-24(28)22(16-19-8-6-5-7-9-19)17-23(32-4)26(25)30(27)14-15-31-3/h5-13,17-18H,14-16H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Antagonist activity at human CaSR expressed in hamster fibroblasts assessed as inhibition of calcium mobilization				Bioorg Med Chem Lett 20: 5161-4 (2010) Article DOI: 10.1016/j.bmcl.2010.07.016 BindingDB Entry DOI: 10.7270/Q2H70G1X
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50097986 (CHEMBL169939 | {(R)-4-[(S)-4-Amino-5-(4-hydroxy-ph...) Show SMILES CCOC(=O)C[C@H]1C[C@H](CN1)n1cc(-c2ccc(O)cc2)c2c(N)ncnc12 Show InChI InChI=1S/C20H23N5O3/c1-2-28-17(27)8-13-7-14(9-22-13)25-10-16(12-3-5-15(26)6-4-12)18-19(21)23-11-24-20(18)25/h3-6,10-11,13-14,22,26H,2,7-9H2,1H3,(H2,21,23,24)/t13-,14-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma Research Curated by ChEMBL					Assay Description Inhibition of p60 c-Src tyrosine kinase enzyme activity in liquid-phase tyrosine phosphorylation assay at 830 ng/mL				Bioorg Med Chem Lett 11: 853-6 (2001) BindingDB Entry DOI: 10.7270/Q29P30XJ
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50097968 (3-[4-Amino-5-(3-hydroxy-phenyl)-pyrrolo[2,3-d]pyri...) Show SMILES CC(C)(C)OC(=O)N1CCC(C1)n1cc(-c2cccc(O)c2)c2c(N)ncnc12 Show InChI InChI=1S/C21H25N5O3/c1-21(2,3)29-20(28)25-8-7-14(10-25)26-11-16(13-5-4-6-15(27)9-13)17-18(22)23-12-24-19(17)26/h4-6,9,11-12,14,27H,7-8,10H2,1-3H3,(H2,22,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma Research Curated by ChEMBL					Assay Description Inhibition of p60 c-Src tyrosine kinase enzyme activity in liquid-phase tyrosine phosphorylation assay at 830 ng/mL				Bioorg Med Chem Lett 11: 853-6 (2001) BindingDB Entry DOI: 10.7270/Q29P30XJ
					More data for this Ligand-Target Pair
Extracellular calcium-sensing receptor (Homo sapiens (Human))	BDBM50325519 (4-bromo-2-(4-isopropylphenyl)-7-methoxy-1-(2-metho...) Show SMILES COCCn1c(nc2c(Br)c(Cc3ccccc3S(C)=O)cc(OC)c12)-c1ccc(cc1)C(C)C Show InChI InChI=1S/C28H31BrN2O3S/c1-18(2)19-10-12-20(13-11-19)28-30-26-25(29)22(16-21-8-6-7-9-24(21)35(5)32)17-23(34-4)27(26)31(28)14-15-33-3/h6-13,17-18H,14-16H2,1-5H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Antagonist activity at human CaSR expressed in hamster fibroblasts assessed as inhibition of calcium mobilization				Bioorg Med Chem Lett 20: 5161-4 (2010) Article DOI: 10.1016/j.bmcl.2010.07.016 BindingDB Entry DOI: 10.7270/Q2H70G1X
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50097972 (3-(4-Amino-7-pyrrolidin-3-yl-7H-pyrrolo[2,3-d]pyri...) Show SMILES Nc1ncnc2n(cc(-c3cccc(O)c3)c12)C1CCNC1 Show InChI InChI=1S/C16H17N5O/c17-15-14-13(10-2-1-3-12(22)6-10)8-21(11-4-5-18-7-11)16(14)20-9-19-15/h1-3,6,8-9,11,18,22H,4-5,7H2,(H2,17,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma Research Curated by ChEMBL					Assay Description Inhibition of p60 c-Src tyrosine kinase enzyme activity in liquid-phase tyrosine phosphorylation assay at 830 ng/mL				Bioorg Med Chem Lett 11: 853-6 (2001) BindingDB Entry DOI: 10.7270/Q29P30XJ
					More data for this Ligand-Target Pair
Extracellular calcium-sensing receptor (Homo sapiens (Human))	BDBM50325508 (5-bromo-4-iodo-2-(4-isopropylphenyl)-7-methoxy-1-(...) Show SMILES COCCn1c(nc2c(I)c(Br)cc(OC)c12)-c1ccc(cc1)C(C)C Show InChI InChI=1S/C20H22BrIN2O2/c1-12(2)13-5-7-14(8-6-13)20-23-18-17(22)15(21)11-16(26-4)19(18)24(20)9-10-25-3/h5-8,11-12H,9-10H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Antagonist activity at human CaSR expressed in hamster fibroblasts assessed as inhibition of calcium mobilization				Bioorg Med Chem Lett 20: 5161-4 (2010) Article DOI: 10.1016/j.bmcl.2010.07.016 BindingDB Entry DOI: 10.7270/Q2H70G1X
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50097974 (2-((2-(4-(4-amino-5-(3-methoxyphenyl)-7H-pyrrolo[2...) Show SMILES COc1cccc(c1)-c1cn(C2CCN(CCN(C)CCO)CC2)c2ncnc(N)c12 Show InChI InChI=1S/C23H32N6O2/c1-27(12-13-30)10-11-28-8-6-18(7-9-28)29-15-20(17-4-3-5-19(14-17)31-2)21-22(24)25-16-26-23(21)29/h3-5,14-16,18,30H,6-13H2,1-2H3,(H2,24,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma Research Curated by ChEMBL					Assay Description Inhibition of p60 c-Src tyrosine kinase enzyme activity in liquid-phase tyrosine phosphorylation assay at 830 ng/mL				Bioorg Med Chem Lett 11: 853-6 (2001) BindingDB Entry DOI: 10.7270/Q29P30XJ
					More data for this Ligand-Target Pair
Histone deacetylase 4 [2-1084] (Homo sapiens (Human))	BDBM187784 (US9670193, 36 3-chloro-N-(1-(pyridin-4-yl)ethyl)-5...) Show SMILES CC(Nc1ncc(cc1Cl)-c1noc(n1)C(F)(F)F)c1ccncc1 Show InChI InChI=1S/C15H11ClF3N5O/c1-8(9-2-4-20-5-3-9)22-13-11(16)6-10(7-21-13)12-23-14(25-24-12)15(17,18)19/h2-8H,1H3,(H,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.40	n/a	n/a	n/a	n/a	8.0	25
Novartis AG US Patent					Assay Description Human recombinant HDAC4 was expressed in full length form (aa 2-1084) in Sf9 insect cells (obtained from ATCC) using baculovirus generated with Bac-t...				US Patent US9670193 (2017) BindingDB Entry DOI: 10.7270/Q2SF2TCV
					More data for this Ligand-Target Pair
Extracellular calcium-sensing receptor (Homo sapiens (Human))	BDBM50308107 (1-Benzyl-6-hydroxy-4-(4-isopropyl-phenyl)-5-propyl...) Show SMILES CCCc1c(O)ccc2n(Cc3ccccc3)c(=O)nc(-c3ccc(cc3)C(C)C)c12 Show InChI InChI=1S/C27H28N2O2/c1-4-8-22-24(30)16-15-23-25(22)26(21-13-11-20(12-14-21)18(2)3)28-27(31)29(23)17-19-9-6-5-7-10-19/h5-7,9-16,18,30H,4,8,17H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.60	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Antagonist activity at human CaSR expressed in CCL39 cells assessed as inhibition of extracellular calcium-induced intracellular calcium transient by...				J Med Chem 53: 2250-63 (2010) Article DOI: 10.1021/jm901811v BindingDB Entry DOI: 10.7270/Q2Q240BT
					More data for this Ligand-Target Pair
Extracellular calcium-sensing receptor (Homo sapiens (Human))	BDBM50308092 (1-[3-(2-Hydroxy-ethoxy)-benzyl]-4-(4-isopropyl-phe...) Show SMILES CC(C)c1ccc(cc1)-c1nc(=O)n(Cc2cccc(OCCO)c2)c2ccc(OCC#C)cc12 Show InChI InChI=1S/C29H28N2O4/c1-4-15-34-25-12-13-27-26(18-25)28(23-10-8-22(9-11-23)20(2)3)30-29(33)31(27)19-21-6-5-7-24(17-21)35-16-14-32/h1,5-13,17-18,20,32H,14-16,19H2,2-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7.30	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Antagonist activity at human CaSR expressed in CCL39 cells assessed as inhibition of extracellular calcium-induced intracellular calcium transient by...				J Med Chem 53: 2250-63 (2010) Article DOI: 10.1021/jm901811v BindingDB Entry DOI: 10.7270/Q2Q240BT
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50097970 (3-[4-Amino-5-(4-hydroxy-phenyl)-pyrrolo[2,3-d]pyri...) Show SMILES CC(C)(C)OC(=O)N1CCC(C1)n1cc(-c2ccc(O)cc2)c2c(N)ncnc12 Show InChI InChI=1S/C21H25N5O3/c1-21(2,3)29-20(28)25-9-8-14(10-25)26-11-16(13-4-6-15(27)7-5-13)17-18(22)23-12-24-19(17)26/h4-7,11-12,14,27H,8-10H2,1-3H3,(H2,22,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma Research Curated by ChEMBL					Assay Description Inhibition of p60 c-Src tyrosine kinase enzyme activity in liquid-phase tyrosine phosphorylation assay at 830 ng/mL				Bioorg Med Chem Lett 11: 853-6 (2001) BindingDB Entry DOI: 10.7270/Q29P30XJ
					More data for this Ligand-Target Pair
Extracellular calcium-sensing receptor (Homo sapiens (Human))	BDBM50308105 (2-[4-(3-Dimethylamino-propyl)piperazin-1-yl]-N-{3-...) Show SMILES CC(C)c1ccc(cc1)-c1nc(=O)n(Cc2cccc(NC(=O)CN3CCN(CCCN(C)C)CC3)c2)c2ccc(OCC#C)cc12 Show InChI InChI=1S/C38H46N6O3/c1-6-23-47-33-15-16-35-34(25-33)37(31-13-11-30(12-14-31)28(2)3)40-38(46)44(35)26-29-9-7-10-32(24-29)39-36(45)27-43-21-19-42(20-22-43)18-8-17-41(4)5/h1,7,9-16,24-25,28H,8,17-23,26-27H2,2-5H3,(H,39,45)	PDB UniProtKB/SwissProt antibodypedia 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
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Antagonist activity at human CaSR expressed in CCL39 cells assessed as inhibition of extracellular calcium-induced intracellular calcium transient by...				J Med Chem 53: 2250-63 (2010) Article DOI: 10.1021/jm901811v BindingDB Entry DOI: 10.7270/Q2Q240BT
					More data for this Ligand-Target Pair
Extracellular calcium-sensing receptor (Homo sapiens (Human))	BDBM50308078 (1-Isopropyl-4-(4-isopropyl-phenyl)-6-propargyloxy-...) Show SMILES CC(C)c1ccc(cc1)-c1nc(=O)n(C(C)C)c2ccc(OCC#C)cc12 Show InChI InChI=1S/C23H24N2O2/c1-6-13-27-19-11-12-21-20(14-19)22(24-23(26)25(21)16(4)5)18-9-7-17(8-10-18)15(2)3/h1,7-12,14-16H,13H2,2-5H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Antagonist activity at human CaSR expressed in CCL39 cells assessed as inhibition of extracellular calcium-induced intracellular calcium transient by...				J Med Chem 53: 2250-63 (2010) Article DOI: 10.1021/jm901811v BindingDB Entry DOI: 10.7270/Q2Q240BT
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1/ABL2 (Homo sapiens (Human))	BDBM50097956 (3-(4-Amino-7-cyclopentyl-7H-pyrrolo[2,3-d]pyrimidi...) Show SMILES Nc1ncnc2n(cc(-c3cccc(O)c3)c12)C1CCCC1 Show InChI InChI=1S/C17H18N4O/c18-16-15-14(11-4-3-7-13(22)8-11)9-21(12-5-1-2-6-12)17(15)20-10-19-16/h3-4,7-10,12,22H,1-2,5-6H2,(H2,18,19,20)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma Research Curated by ChEMBL					Assay Description Inhibition of v-Abl tyrosine kinase activity				Bioorg Med Chem Lett 11: 849-52 (2001) BindingDB Entry DOI: 10.7270/Q2FF3RMF
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Gallus gallus (Chicken))	BDBM50088905 (2-(3-(4-amino-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-...) Show SMILES Nc1ncnc2n(cc(-c3ccccc3)c12)-c1cccc(CNCCO)c1 Show InChI InChI=1S/C21H21N5O/c22-20-19-18(16-6-2-1-3-7-16)13-26(21(19)25-14-24-20)17-8-4-5-15(11-17)12-23-9-10-27/h1-8,11,13-14,23,27H,9-10,12H2,(H2,22,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description Tested for inhibition of protein tyrosine kinase c-Src phosphorylation				Bioorg Med Chem Lett 10: 945-9 (2000) BindingDB Entry DOI: 10.7270/Q2R78DG4
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Gallus gallus (Chicken))	BDBM50097951 (4-(4-Amino-7-cyclobutyl-7H-pyrrolo[2,3-d]pyrimidin...) Show SMILES Nc1ncnc2n(cc(-c3ccc(O)cc3)c12)C1CCC1 Show InChI InChI=1S/C16H16N4O/c17-15-14-13(10-4-6-12(21)7-5-10)8-20(11-2-1-3-11)16(14)19-9-18-15/h4-9,11,21H,1-3H2,(H2,17,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma Research Curated by ChEMBL					Assay Description Inhibition of p60 c-Src tyrosine kinase activity				Bioorg Med Chem Lett 11: 849-52 (2001) BindingDB Entry DOI: 10.7270/Q2FF3RMF
					More data for this Ligand-Target Pair
Histone deacetylase 4 [2-1084] (Homo sapiens (Human))	BDBM187643 (US9670193, 35 3-chloro-N-(pyridin-4-ylmethyl)-5-(5...) Show SMILES FC(F)(F)c1nc(no1)-c1cnc(NCc2ccncc2)c(Cl)c1 Show InChI InChI=1S/C14H9ClF3N5O/c15-10-5-9(11-22-13(24-23-11)14(16,17)18)7-21-12(10)20-6-8-1-3-19-4-2-8/h1-5,7H,6H2,(H,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11	n/a	n/a	n/a	n/a	8.0	25
Novartis AG US Patent					Assay Description Human recombinant HDAC4 was expressed in full length form (aa 2-1084) in Sf9 insect cells (obtained from ATCC) using baculovirus generated with Bac-t...				US Patent US9670193 (2017) BindingDB Entry DOI: 10.7270/Q2SF2TCV
					More data for this Ligand-Target Pair
Extracellular calcium-sensing receptor (Homo sapiens (Human))	BDBM50325509 (4-bromo-2-(4-isopropylphenyl)-7-methoxy-1-(2-metho...) Show SMILES COCCn1c(nc2c(Br)c(cc(OC)c12)C(F)(F)F)-c1ccc(cc1)C(C)C Show InChI InChI=1S/C21H22BrF3N2O2/c1-12(2)13-5-7-14(8-6-13)20-26-18-17(22)15(21(23,24)25)11-16(29-4)19(18)27(20)9-10-28-3/h5-8,11-12H,9-10H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Antagonist activity at human CaSR expressed in hamster fibroblasts assessed as inhibition of calcium mobilization				Bioorg Med Chem Lett 20: 5161-4 (2010) Article DOI: 10.1016/j.bmcl.2010.07.016 BindingDB Entry DOI: 10.7270/Q2H70G1X
					More data for this Ligand-Target Pair
Extracellular calcium-sensing receptor (Homo sapiens (Human))	BDBM50308086 (CHEMBL603248 | {4-[4-(4-Isopropyl-phenyl)-2-oxo-6-...) Show SMILES CC(C)c1ccc(cc1)-c1nc(=O)n(Cc2ccc(OCC(O)=O)cc2)c2ccc(OCC#C)cc12 Show InChI InChI=1S/C29H26N2O5/c1-4-15-35-24-13-14-26-25(16-24)28(22-9-7-21(8-10-22)19(2)3)30-29(34)31(26)17-20-5-11-23(12-6-20)36-18-27(32)33/h1,5-14,16,19H,15,17-18H2,2-3H3,(H,32,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	12.6	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Antagonist activity at human CaSR expressed in CCL39 cells assessed as inhibition of extracellular calcium-induced intracellular calcium transient by...				J Med Chem 53: 2250-63 (2010) Article DOI: 10.1021/jm901811v BindingDB Entry DOI: 10.7270/Q2Q240BT
					More data for this Ligand-Target Pair
Extracellular calcium-sensing receptor (Homo sapiens (Human))	BDBM50325498 (4-iodo-2-(4-isopropylphenyl)-7-methoxy-1-(2-methox...) Show SMILES COCCn1c(nc2c(I)ccc(OC)c12)-c1ccc(cc1)C(C)C Show InChI InChI=1S/C20H23IN2O2/c1-13(2)14-5-7-15(8-6-14)20-22-18-16(21)9-10-17(25-4)19(18)23(20)11-12-24-3/h5-10,13H,11-12H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Antagonist activity at human CaSR expressed in hamster fibroblasts assessed as inhibition of calcium mobilization				Bioorg Med Chem Lett 20: 5161-4 (2010) Article DOI: 10.1016/j.bmcl.2010.07.016 BindingDB Entry DOI: 10.7270/Q2H70G1X
					More data for this Ligand-Target Pair
Extracellular calcium-sensing receptor (Homo sapiens (Human))	BDBM50308104 (CHEMBL590552 | N-{3-[4-(4-Isopropyl-pheny)-2-oxo-6...) Show SMILES COCCN1CCN(CC(=O)Nc2cccc(Cn3c4ccc(OCC#C)cc4c(nc3=O)-c3ccc(cc3)C(C)C)c2)CC1 Show InChI InChI=1S/C36H41N5O4/c1-5-20-45-31-13-14-33-32(23-31)35(29-11-9-28(10-12-29)26(2)3)38-36(43)41(33)24-27-7-6-8-30(22-27)37-34(42)25-40-17-15-39(16-18-40)19-21-44-4/h1,6-14,22-23,26H,15-21,24-25H2,2-4H3,(H,37,42)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Antagonist activity at human CaSR expressed in CCL39 cells assessed as inhibition of extracellular calcium-induced intracellular calcium transient by...				J Med Chem 53: 2250-63 (2010) Article DOI: 10.1021/jm901811v BindingDB Entry DOI: 10.7270/Q2Q240BT
					More data for this Ligand-Target Pair
Extracellular calcium-sensing receptor (Homo sapiens (Human))	BDBM50308088 (1-(3-Ethyl-benzyl)-4-(4-isopropyl-phenyl)-6-propar...) Show SMILES CCc1cccc(Cn2c3ccc(OCC#C)cc3c(nc2=O)-c2ccc(cc2)C(C)C)c1 Show InChI InChI=1S/C29H28N2O2/c1-5-16-33-25-14-15-27-26(18-25)28(24-12-10-23(11-13-24)20(3)4)30-29(32)31(27)19-22-9-7-8-21(6-2)17-22/h1,7-15,17-18,20H,6,16,19H2,2-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Antagonist activity at human CaSR expressed in CCL39 cells assessed as inhibition of extracellular calcium-induced intracellular calcium transient by...				J Med Chem 53: 2250-63 (2010) Article DOI: 10.1021/jm901811v BindingDB Entry DOI: 10.7270/Q2Q240BT
					More data for this Ligand-Target Pair
Extracellular calcium-sensing receptor (Homo sapiens (Human))	BDBM50325507 (4,5-dibromo-2-(4-isopropylphenyl)-7-methoxy-1-(2-m...) Show SMILES COCCn1c(nc2c(Br)c(Br)cc(OC)c12)-c1ccc(cc1)C(C)C Show InChI InChI=1S/C20H22Br2N2O2/c1-12(2)13-5-7-14(8-6-13)20-23-18-17(22)15(21)11-16(26-4)19(18)24(20)9-10-25-3/h5-8,11-12H,9-10H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Antagonist activity at human CaSR expressed in hamster fibroblasts assessed as inhibition of calcium mobilization				Bioorg Med Chem Lett 20: 5161-4 (2010) Article DOI: 10.1016/j.bmcl.2010.07.016 BindingDB Entry DOI: 10.7270/Q2H70G1X
					More data for this Ligand-Target Pair

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