Compile Data Set for Download or QSAR

Found 15 hits Enz. Inhib. hit(s) with all data for entry = 50041851   

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))	BDBM50416874 (CHEMBL1256368) Show SMILES Cc1ccc(c(C)c1)[C@](C)(O)c1nc2ccccc2s1 |r| Show InChI InChI=1S/C17H17NOS/c1-11-8-9-13(12(2)10-11)17(3,19)16-18-14-6-4-5-7-15(14)20-16/h4-10,19H,1-3H3/t17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	10	n/a	n/a	n/a	n/a
ACADIA Pharmaceuticals AB Curated by ChEMBL					Assay Description Positive allosteric modulation of calcium sensing receptor by cell based assay				Bioorg Med Chem Lett 20: 5918-21 (2010) Article DOI: 10.1016/j.bmcl.2010.07.077 BindingDB Entry DOI: 10.7270/Q22J6D4S
					More data for this Ligand-Target Pair
Extracellular calcium-sensing receptor (Homo sapiens (Human))	BDBM50416887 (CHEMBL1256330) Show SMILES COc1ccccc1C(C)(O)c1nc2ccccc2s1 Show InChI InChI=1S/C16H15NO2S/c1-16(18,11-7-3-5-9-13(11)19-2)15-17-12-8-4-6-10-14(12)20-15/h3-10,18H,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	3.98E+3	n/a	n/a	n/a	n/a
ACADIA Pharmaceuticals AB Curated by ChEMBL					Assay Description Positive allosteric modulation of calcium sensing receptor by cell based assay				Bioorg Med Chem Lett 20: 5918-21 (2010) Article DOI: 10.1016/j.bmcl.2010.07.077 BindingDB Entry DOI: 10.7270/Q22J6D4S
					More data for this Ligand-Target Pair
Extracellular calcium-sensing receptor (Homo sapiens (Human))	BDBM50416874 (CHEMBL1256368) Show SMILES Cc1ccc(c(C)c1)[C@](C)(O)c1nc2ccccc2s1 |r| Show InChI InChI=1S/C17H17NOS/c1-11-8-9-13(12(2)10-11)17(3,19)16-18-14-6-4-5-7-15(14)20-16/h4-10,19H,1-3H3/t17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	25.1	n/a	n/a	n/a	n/a
ACADIA Pharmaceuticals AB Curated by ChEMBL					Assay Description Positive allosteric modulation of calcium sensing receptor by cell based assay				Bioorg Med Chem Lett 20: 5918-21 (2010) Article DOI: 10.1016/j.bmcl.2010.07.077 BindingDB Entry DOI: 10.7270/Q22J6D4S
					More data for this Ligand-Target Pair
Extracellular calcium-sensing receptor (Homo sapiens (Human))	BDBM50416876 (CHEMBL1256403) Show SMILES Cc1cc(Cl)ccc1C(C)(O)c1nc2ccccc2s1 Show InChI InChI=1S/C16H14ClNOS/c1-10-9-11(17)7-8-12(10)16(2,19)15-18-13-5-3-4-6-14(13)20-15/h3-9,19H,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	31.6	n/a	n/a	n/a	n/a
ACADIA Pharmaceuticals AB Curated by ChEMBL					Assay Description Positive allosteric modulation of calcium sensing receptor by cell based assay				Bioorg Med Chem Lett 20: 5918-21 (2010) Article DOI: 10.1016/j.bmcl.2010.07.077 BindingDB Entry DOI: 10.7270/Q22J6D4S
					More data for this Ligand-Target Pair
Extracellular calcium-sensing receptor (Homo sapiens (Human))	BDBM50416877 (CHEMBL1256402) Show SMILES Cc1ccc(c(C)c1)[C@@](C)(O)c1nc2ccccc2s1 |r| Show InChI InChI=1S/C17H17NOS/c1-11-8-9-13(12(2)10-11)17(3,19)16-18-14-6-4-5-7-15(14)20-16/h4-10,19H,1-3H3/t17-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	79.4	n/a	n/a	n/a	n/a
ACADIA Pharmaceuticals AB Curated by ChEMBL					Assay Description Positive allosteric modulation of calcium sensing receptor by cell based assay				Bioorg Med Chem Lett 20: 5918-21 (2010) Article DOI: 10.1016/j.bmcl.2010.07.077 BindingDB Entry DOI: 10.7270/Q22J6D4S
					More data for this Ligand-Target Pair
Extracellular calcium-sensing receptor (Homo sapiens (Human))	BDBM50416878 (CHEMBL1256404) Show SMILES CC(O)(c1nc2ccccc2s1)c1ccc(Cl)cc1Cl Show InChI InChI=1S/C15H11Cl2NOS/c1-15(19,10-7-6-9(16)8-11(10)17)14-18-12-4-2-3-5-13(12)20-14/h2-8,19H,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	100	n/a	n/a	n/a	n/a
ACADIA Pharmaceuticals AB Curated by ChEMBL					Assay Description Positive allosteric modulation of calcium sensing receptor by cell based assay				Bioorg Med Chem Lett 20: 5918-21 (2010) Article DOI: 10.1016/j.bmcl.2010.07.077 BindingDB Entry DOI: 10.7270/Q22J6D4S
					More data for this Ligand-Target Pair
Extracellular calcium-sensing receptor (Homo sapiens (Human))	BDBM50416879 (CHEMBL1256303) Show SMILES CC(O)(c1nc2ccccc2s1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C15H11Cl2NOS/c1-15(19,9-6-7-10(16)11(17)8-9)14-18-12-4-2-3-5-13(12)20-14/h2-8,19H,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	100	n/a	n/a	n/a	n/a
ACADIA Pharmaceuticals AB Curated by ChEMBL					Assay Description Positive allosteric modulation of calcium sensing receptor by cell based assay				Bioorg Med Chem Lett 20: 5918-21 (2010) Article DOI: 10.1016/j.bmcl.2010.07.077 BindingDB Entry DOI: 10.7270/Q22J6D4S
					More data for this Ligand-Target Pair
Extracellular calcium-sensing receptor (Homo sapiens (Human))	BDBM50416880 (CHEMBL1256366) Show SMILES Cc1cc(ccc1F)C(C)(O)c1nc2ccccc2s1 Show InChI InChI=1S/C16H14FNOS/c1-10-9-11(7-8-12(10)17)16(2,19)15-18-13-5-3-4-6-14(13)20-15/h3-9,19H,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	158	n/a	n/a	n/a	n/a
ACADIA Pharmaceuticals AB Curated by ChEMBL					Assay Description Positive allosteric modulation of calcium sensing receptor by cell based assay				Bioorg Med Chem Lett 20: 5918-21 (2010) Article DOI: 10.1016/j.bmcl.2010.07.077 BindingDB Entry DOI: 10.7270/Q22J6D4S
					More data for this Ligand-Target Pair
Extracellular calcium-sensing receptor (Homo sapiens (Human))	BDBM50416881 (CHEMBL1258389) Show SMILES Cc1ccc(c(C)c1)C(O)(C1CC1)c1nc2ccccc2s1 Show InChI InChI=1S/C19H19NOS/c1-12-7-10-15(13(2)11-12)19(21,14-8-9-14)18-20-16-5-3-4-6-17(16)22-18/h3-7,10-11,14,21H,8-9H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	200	n/a	n/a	n/a	n/a
ACADIA Pharmaceuticals AB Curated by ChEMBL					Assay Description Positive allosteric modulation of calcium sensing receptor by cell based assay				Bioorg Med Chem Lett 20: 5918-21 (2010) Article DOI: 10.1016/j.bmcl.2010.07.077 BindingDB Entry DOI: 10.7270/Q22J6D4S
					More data for this Ligand-Target Pair
Extracellular calcium-sensing receptor (Homo sapiens (Human))	BDBM50416882 (CHEMBL1256331) Show SMILES Cc1ccccc1C(C)(O)c1nc2ccccc2s1 Show InChI InChI=1S/C16H15NOS/c1-11-7-3-4-8-12(11)16(2,18)15-17-13-9-5-6-10-14(13)19-15/h3-10,18H,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	251	n/a	n/a	n/a	n/a
ACADIA Pharmaceuticals AB Curated by ChEMBL					Assay Description Positive allosteric modulation of calcium sensing receptor by cell based assay				Bioorg Med Chem Lett 20: 5918-21 (2010) Article DOI: 10.1016/j.bmcl.2010.07.077 BindingDB Entry DOI: 10.7270/Q22J6D4S
					More data for this Ligand-Target Pair
Extracellular calcium-sensing receptor (Homo sapiens (Human))	BDBM50416883 (CHEMBL1255602) Show SMILES Cc1cc(C)c2CCCC(O)(c3nc4ccccc4s3)c2c1 Show InChI InChI=1S/C19H19NOS/c1-12-10-13(2)14-6-5-9-19(21,15(14)11-12)18-20-16-7-3-4-8-17(16)22-18/h3-4,7-8,10-11,21H,5-6,9H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	316	n/a	n/a	n/a	n/a
ACADIA Pharmaceuticals AB Curated by ChEMBL					Assay Description Positive allosteric modulation of calcium sensing receptor by cell based assay				Bioorg Med Chem Lett 20: 5918-21 (2010) Article DOI: 10.1016/j.bmcl.2010.07.077 BindingDB Entry DOI: 10.7270/Q22J6D4S
					More data for this Ligand-Target Pair
Extracellular calcium-sensing receptor (Homo sapiens (Human))	BDBM50416884 (CHEMBL1256301) Show SMILES CC(O)(c1nc2ccccc2s1)c1ccc(Cl)cc1 Show InChI InChI=1S/C15H12ClNOS/c1-15(18,10-6-8-11(16)9-7-10)14-17-12-4-2-3-5-13(12)19-14/h2-9,18H,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	398	n/a	n/a	n/a	n/a
ACADIA Pharmaceuticals AB Curated by ChEMBL					Assay Description Positive allosteric modulation of calcium sensing receptor by cell based assay				Bioorg Med Chem Lett 20: 5918-21 (2010) Article DOI: 10.1016/j.bmcl.2010.07.077 BindingDB Entry DOI: 10.7270/Q22J6D4S
					More data for this Ligand-Target Pair
Extracellular calcium-sensing receptor (Homo sapiens (Human))	BDBM50416885 (CHEMBL1258390) Show SMILES CC(O)(c1nc2ccccc2s1)c1ccc2ccccc2c1 Show InChI InChI=1S/C19H15NOS/c1-19(21,18-20-16-8-4-5-9-17(16)22-18)15-11-10-13-6-2-3-7-14(13)12-15/h2-12,21H,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	631	n/a	n/a	n/a	n/a
ACADIA Pharmaceuticals AB Curated by ChEMBL					Assay Description Positive allosteric modulation of calcium sensing receptor by cell based assay				Bioorg Med Chem Lett 20: 5918-21 (2010) Article DOI: 10.1016/j.bmcl.2010.07.077 BindingDB Entry DOI: 10.7270/Q22J6D4S
					More data for this Ligand-Target Pair
Extracellular calcium-sensing receptor (Homo sapiens (Human))	BDBM50416886 (CHEMBL1256486) Show SMILES CC(c1nc2ccccc2s1)c1ccc(C)cc1C Show InChI InChI=1S/C17H17NS/c1-11-8-9-14(12(2)10-11)13(3)17-18-15-6-4-5-7-16(15)19-17/h4-10,13H,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.51E+3	n/a	n/a	n/a	n/a
ACADIA Pharmaceuticals AB Curated by ChEMBL					Assay Description Positive allosteric modulation of calcium sensing receptor by cell based assay				Bioorg Med Chem Lett 20: 5918-21 (2010) Article DOI: 10.1016/j.bmcl.2010.07.077 BindingDB Entry DOI: 10.7270/Q22J6D4S
					More data for this Ligand-Target Pair
Extracellular calcium-sensing receptor (Homo sapiens (Human))	BDBM50416875 (AMG-073 | AMG073 HCL | CINACALCET | CINACALCET HYD...) Show SMILES C[C@@H](NCCCc1cccc(c1)C(F)(F)F)c1cccc2ccccc12 |r| Show InChI InChI=1S/C22H22F3N/c1-16(20-13-5-10-18-9-2-3-12-21(18)20)26-14-6-8-17-7-4-11-19(15-17)22(23,24)25/h2-5,7,9-13,15-16,26H,6,8,14H2,1H3/t16-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	19.9	n/a	n/a	n/a	n/a
ACADIA Pharmaceuticals AB Curated by ChEMBL					Assay Description Positive allosteric modulation of calcium sensing receptor by cell based assay				Bioorg Med Chem Lett 20: 5918-21 (2010) Article DOI: 10.1016/j.bmcl.2010.07.077 BindingDB Entry DOI: 10.7270/Q22J6D4S
					More data for this Ligand-Target Pair				3D Structure (crystal)