Compile Data Set for Download or QSAR

Found 34 hits with Last Name = 'gorojankina' and Initial = 't'   

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 (Rattus norvegicus)	BDBM50139126 (CHEMBL3753320) Show SMILES CC(NCc1cc2ccccc2[nH]1)c1ccc(F)c2ccccc12 Show InChI InChI=1S/C21H19FN2/c1-14(17-10-11-20(22)19-8-4-3-7-18(17)19)23-13-16-12-15-6-2-5-9-21(15)24-16/h2-12,14,23-24H,13H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	132	n/a	n/a	n/a	n/a
CNRS Curated by ChEMBL					Assay Description Agonist activity at rat brain CaSR expressed in CHO cells assessed as inositol phosphate production in presence of 3 mM extracellular Ca2+ by IP-one ...				Bioorg Med Chem 24: 554-69 (2016) Article DOI: 10.1016/j.bmc.2015.12.019 BindingDB Entry DOI: 10.7270/Q2TX3H7V
					More data for this Ligand-Target Pair
Smoothened homolog (Mus musculus)	BDBM50196092 (CHEMBL3922897) Show SMILES CCCOC(=O)c1ccc(NC(=O)c2c(O)c3cc(F)ccc3n(CCC)c2=O)cc1 Show InChI InChI=1S/C23H23FN2O5/c1-3-11-26-18-10-7-15(24)13-17(18)20(27)19(22(26)29)21(28)25-16-8-5-14(6-9-16)23(30)31-12-4-2/h5-10,13,27H,3-4,11-12H2,1-2H3,(H,25,28)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a
Universit£ di Siena Curated by ChEMBL					Assay Description Activity at Smo in mouse C3H10T1/2 cells assessed as induction of cell differentiation into osteoblast incubated for 6 days by alkaline phosphatase a...				Eur J Med Chem 121: 747-757 (2016) Article DOI: 10.1016/j.ejmech.2016.05.062 BindingDB Entry DOI: 10.7270/Q2W66NQ9
					More data for this Ligand-Target Pair
Extracellular calcium-sensing receptor (Rattus norvegicus)	BDBM50140170 (CHEMBL3754639) Show SMILES C[C@@H](NCc1cc2c(O)cccc2[nH]1)c1cccc2ccccc12 |r| Show InChI InChI=1S/C21H20N2O/c1-14(17-9-4-7-15-6-2-3-8-18(15)17)22-13-16-12-19-20(23-16)10-5-11-21(19)24/h2-12,14,22-24H,13H2,1H3/t14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	102	n/a	n/a	n/a	n/a
CNRS Curated by ChEMBL					Assay Description Agonist activity at rat brain CaSR expressed in CHO cells assessed as inositol phosphate production in presence of 3 mM extracellular Ca2+ by IP-one ...				Bioorg Med Chem 24: 554-69 (2016) Article DOI: 10.1016/j.bmc.2015.12.019 BindingDB Entry DOI: 10.7270/Q2TX3H7V
					More data for this Ligand-Target Pair
Extracellular calcium-sensing receptor (Rattus norvegicus)	BDBM50140173 (CHEMBL3753306) Show SMILES C[C@@H](NCc1cc2cccc([N+]([O-])=O)c2[nH]1)c1cccc2ccccc12 |r| Show InChI InChI=1S/C21H19N3O2/c1-14(18-10-4-7-15-6-2-3-9-19(15)18)22-13-17-12-16-8-5-11-20(24(25)26)21(16)23-17/h2-12,14,22-23H,13H2,1H3/t14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	20	n/a	n/a	n/a	n/a
CNRS Curated by ChEMBL					Assay Description Agonist activity at rat brain CaSR expressed in CHO cells assessed as inositol phosphate production in presence of 3 mM extracellular Ca2+ by IP-one ...				Bioorg Med Chem 24: 554-69 (2016) Article DOI: 10.1016/j.bmc.2015.12.019 BindingDB Entry DOI: 10.7270/Q2TX3H7V
					More data for this Ligand-Target Pair
Extracellular calcium-sensing receptor (Rattus norvegicus)	BDBM50140175 (CHEMBL3753729) Show SMILES C[C@@H](NCc1cc2c(cccc2[nH]1)-c1ccccc1)c1cccc2ccccc12 |r| Show InChI InChI=1S/C27H24N2/c1-19(23-14-7-12-21-11-5-6-13-24(21)23)28-18-22-17-26-25(15-8-16-27(26)29-22)20-9-3-2-4-10-20/h2-17,19,28-29H,18H2,1H3/t19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	135	n/a	n/a	n/a	n/a
CNRS Curated by ChEMBL					Assay Description Agonist activity at rat brain CaSR expressed in CHO cells assessed as inositol phosphate production in presence of 3 mM extracellular Ca2+ by IP-one ...				Bioorg Med Chem 24: 554-69 (2016) Article DOI: 10.1016/j.bmc.2015.12.019 BindingDB Entry DOI: 10.7270/Q2TX3H7V
					More data for this Ligand-Target Pair
Extracellular calcium-sensing receptor (Rattus norvegicus)	BDBM50404271 (CHEMBL2092942) Show SMILES C[C@@H](NCc1cc2ccccc2[nH]1)c1cccc2ccccc12 |r| Show InChI InChI=1S/C21H20N2/c1-15(19-11-6-9-16-7-2-4-10-20(16)19)22-14-18-13-17-8-3-5-12-21(17)23-18/h2-13,15,22-23H,14H2,1H3/t15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	132	n/a	n/a	n/a	n/a
CNRS Curated by ChEMBL					Assay Description Agonist activity at rat brain CaSR expressed in CHO cells assessed as inositol phosphate production in presence of 3 mM extracellular Ca2+ by IP-one ...				Bioorg Med Chem 24: 554-69 (2016) Article DOI: 10.1016/j.bmc.2015.12.019 BindingDB Entry DOI: 10.7270/Q2TX3H7V
					More data for this Ligand-Target Pair
Extracellular calcium-sensing receptor (Rattus norvegicus)	BDBM50139126 (CHEMBL3753320) Show SMILES CC(NCc1cc2ccccc2[nH]1)c1ccc(F)c2ccccc12 Show InChI InChI=1S/C21H19FN2/c1-14(17-10-11-20(22)19-8-4-3-7-18(17)19)23-13-16-12-15-6-2-5-9-21(15)24-16/h2-12,14,23-24H,13H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	131	n/a	n/a	n/a	n/a
CNRS Curated by ChEMBL					Assay Description Agonist activity at rat brain CaSR expressed in CHO cells assessed as inositol phosphate production in presence of 3 mM extracellular Ca2+ by IP-one ...				Bioorg Med Chem 24: 554-69 (2016) Article DOI: 10.1016/j.bmc.2015.12.019 BindingDB Entry DOI: 10.7270/Q2TX3H7V
					More data for this Ligand-Target Pair
Extracellular calcium-sensing receptor (Rattus norvegicus)	BDBM50139127 (CHEMBL3753595) Show SMILES C[C@@H](NCc1cc2cc(O)ccc2[nH]1)c1cccc2ccccc12 |r| Show InChI InChI=1S/C21H20N2O/c1-14(19-8-4-6-15-5-2-3-7-20(15)19)22-13-17-11-16-12-18(24)9-10-21(16)23-17/h2-12,14,22-24H,13H2,1H3/t14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	112	n/a	n/a	n/a	n/a
CNRS Curated by ChEMBL					Assay Description Agonist activity at rat brain CaSR expressed in CHO cells assessed as inositol phosphate production in presence of 3 mM extracellular Ca2+ by IP-one ...				Bioorg Med Chem 24: 554-69 (2016) Article DOI: 10.1016/j.bmc.2015.12.019 BindingDB Entry DOI: 10.7270/Q2TX3H7V
					More data for this Ligand-Target Pair
Extracellular calcium-sensing receptor (Rattus norvegicus)	BDBM50140170 (CHEMBL3754639) Show SMILES C[C@@H](NCc1cc2c(O)cccc2[nH]1)c1cccc2ccccc12 |r| Show InChI InChI=1S/C21H20N2O/c1-14(17-9-4-7-15-6-2-3-8-18(15)17)22-13-16-12-19-20(23-16)10-5-11-21(19)24/h2-12,14,22-24H,13H2,1H3/t14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	102	n/a	n/a	n/a	n/a
CNRS Curated by ChEMBL					Assay Description Agonist activity at rat brain CaSR expressed in CHO cells assessed as inositol phosphate production in presence of 3 mM extracellular Ca2+ by IP-one ...				Bioorg Med Chem 24: 554-69 (2016) Article DOI: 10.1016/j.bmc.2015.12.019 BindingDB Entry DOI: 10.7270/Q2TX3H7V
					More data for this Ligand-Target Pair
Extracellular calcium-sensing receptor (Rattus norvegicus)	BDBM50140173 (CHEMBL3753306) Show SMILES C[C@@H](NCc1cc2cccc([N+]([O-])=O)c2[nH]1)c1cccc2ccccc12 |r| Show InChI InChI=1S/C21H19N3O2/c1-14(18-10-4-7-15-6-2-3-9-19(15)18)22-13-17-12-16-8-5-11-20(24(25)26)21(16)23-17/h2-12,14,22-23H,13H2,1H3/t14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	20	n/a	n/a	n/a	n/a
CNRS Curated by ChEMBL					Assay Description Agonist activity at rat brain CaSR expressed in CHO cells assessed as inositol phosphate production in presence of 3 mM extracellular Ca2+ by IP-one ...				Bioorg Med Chem 24: 554-69 (2016) Article DOI: 10.1016/j.bmc.2015.12.019 BindingDB Entry DOI: 10.7270/Q2TX3H7V
					More data for this Ligand-Target Pair
Extracellular calcium-sensing receptor (Rattus norvegicus)	BDBM50140175 (CHEMBL3753729) Show SMILES C[C@@H](NCc1cc2c(cccc2[nH]1)-c1ccccc1)c1cccc2ccccc12 |r| Show InChI InChI=1S/C27H24N2/c1-19(23-14-7-12-21-11-5-6-13-24(21)23)28-18-22-17-26-25(15-8-16-27(26)29-22)20-9-3-2-4-10-20/h2-17,19,28-29H,18H2,1H3/t19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	136	n/a	n/a	n/a	n/a
CNRS Curated by ChEMBL					Assay Description Agonist activity at rat brain CaSR expressed in CHO cells assessed as inositol phosphate production in presence of 3 mM extracellular Ca2+ by IP-one ...				Bioorg Med Chem 24: 554-69 (2016) Article DOI: 10.1016/j.bmc.2015.12.019 BindingDB Entry DOI: 10.7270/Q2TX3H7V
					More data for this Ligand-Target Pair
Extracellular calcium-sensing receptor (Rattus norvegicus)	BDBM50404271 (CHEMBL2092942) Show SMILES C[C@@H](NCc1cc2ccccc2[nH]1)c1cccc2ccccc12 |r| Show InChI InChI=1S/C21H20N2/c1-15(19-11-6-9-16-7-2-4-10-20(16)19)22-14-18-13-17-8-3-5-12-21(17)23-18/h2-13,15,22-23H,14H2,1H3/t15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	132	n/a	n/a	n/a	n/a
CNRS Curated by ChEMBL					Assay Description Agonist activity at rat brain CaSR expressed in CHO cells assessed as inositol phosphate production in presence of 3 mM extracellular Ca2+ by IP-one ...				Bioorg Med Chem 24: 554-69 (2016) Article DOI: 10.1016/j.bmc.2015.12.019 BindingDB Entry DOI: 10.7270/Q2TX3H7V
					More data for this Ligand-Target Pair
Smoothened homolog (Mus musculus)	BDBM50196074 (CHEMBL3919826) Show SMILES CCCCCCn1c2ccccc2c(O)c(C(=O)Nc2ccc(cc2)C(=O)OCCCC)c1=O Show InChI InChI=1S/C27H32N2O5/c1-3-5-7-10-17-29-22-12-9-8-11-21(22)24(30)23(26(29)32)25(31)28-20-15-13-19(14-16-20)27(33)34-18-6-4-2/h8-9,11-16,30H,3-7,10,17-18H2,1-2H3,(H,28,31)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a
Universit£ di Siena Curated by ChEMBL					Assay Description Activity at Smo in mouse C3H10T1/2 cells assessed as induction of cell differentiation into osteoblast incubated for 6 days by alkaline phosphatase a...				Eur J Med Chem 121: 747-757 (2016) Article DOI: 10.1016/j.ejmech.2016.05.062 BindingDB Entry DOI: 10.7270/Q2W66NQ9
					More data for this Ligand-Target Pair
Smoothened homolog (Mus musculus)	BDBM50196075 (CHEMBL3894352) Show SMILES CCCCCn1c2ccccc2c(O)c(C(=O)Nc2ccc(cc2)C(=O)OCCCC)c1=O Show InChI InChI=1S/C26H30N2O5/c1-3-5-9-16-28-21-11-8-7-10-20(21)23(29)22(25(28)31)24(30)27-19-14-12-18(13-15-19)26(32)33-17-6-4-2/h7-8,10-15,29H,3-6,9,16-17H2,1-2H3,(H,27,30)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	600	n/a	n/a	n/a	n/a
Universit£ di Siena Curated by ChEMBL					Assay Description Activity at Smo in mouse C3H10T1/2 cells assessed as induction of cell differentiation into osteoblast incubated for 6 days by alkaline phosphatase a...				Eur J Med Chem 121: 747-757 (2016) Article DOI: 10.1016/j.ejmech.2016.05.062 BindingDB Entry DOI: 10.7270/Q2W66NQ9
					More data for this Ligand-Target Pair
Smoothened homolog (Mus musculus)	BDBM50196076 (CHEMBL3965788) Show SMILES CCCCCn1c2ccccc2c(O)c(C(=O)Nc2ccc(cc2)C(=O)OCC)c1=O Show InChI InChI=1S/C24H26N2O5/c1-3-5-8-15-26-19-10-7-6-9-18(19)21(27)20(23(26)29)22(28)25-17-13-11-16(12-14-17)24(30)31-4-2/h6-7,9-14,27H,3-5,8,15H2,1-2H3,(H,25,28)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	900	n/a	n/a	n/a	n/a
Universit£ di Siena Curated by ChEMBL					Assay Description Activity at Smo in mouse C3H10T1/2 cells assessed as induction of cell differentiation into osteoblast incubated for 6 days by alkaline phosphatase a...				Eur J Med Chem 121: 747-757 (2016) Article DOI: 10.1016/j.ejmech.2016.05.062 BindingDB Entry DOI: 10.7270/Q2W66NQ9
					More data for this Ligand-Target Pair
Smoothened homolog (Mus musculus)	BDBM50196077 (CHEMBL3947608) Show SMILES CCCCCCn1c2ccccc2c(O)c(C(=O)Nc2ccc(cc2)C(=O)OCCC)c1=O Show InChI InChI=1S/C26H30N2O5/c1-3-5-6-9-16-28-21-11-8-7-10-20(21)23(29)22(25(28)31)24(30)27-19-14-12-18(13-15-19)26(32)33-17-4-2/h7-8,10-15,29H,3-6,9,16-17H2,1-2H3,(H,27,30)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a
Universit£ di Siena Curated by ChEMBL					Assay Description Activity at Smo in mouse C3H10T1/2 cells assessed as induction of cell differentiation into osteoblast incubated for 6 days by alkaline phosphatase a...				Eur J Med Chem 121: 747-757 (2016) Article DOI: 10.1016/j.ejmech.2016.05.062 BindingDB Entry DOI: 10.7270/Q2W66NQ9
					More data for this Ligand-Target Pair
Smoothened homolog (Mus musculus)	BDBM50324671 (CHEMBL1221984 | Purmorphamine) Show SMILES C1CCC(CC1)n1cnc2c(Nc3ccc(cc3)N3CCOCC3)nc(Oc3cccc4ccccc34)nc12 Show InChI InChI=1S/C31H32N6O2/c1-2-9-25(10-3-1)37-21-32-28-29(33-23-13-15-24(16-14-23)36-17-19-38-20-18-36)34-31(35-30(28)37)39-27-12-6-8-22-7-4-5-11-26(22)27/h4-8,11-16,21,25H,1-3,9-10,17-20H2,(H,33,34,35)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	n/a	n/a	800	n/a	n/a	n/a	n/a
Universit£ di Siena Curated by ChEMBL					Assay Description Activity at Smo in mouse C3H10T1/2 cells assessed as induction of cell differentiation into osteoblast incubated for 6 days by alkaline phosphatase a...				Eur J Med Chem 121: 747-757 (2016) Article DOI: 10.1016/j.ejmech.2016.05.062 BindingDB Entry DOI: 10.7270/Q2W66NQ9
					More data for this Ligand-Target Pair
Smoothened homolog (Mus musculus)	BDBM50196078 (CHEMBL3899175) Show SMILES CCCOC(=O)c1ccc(NC(=O)c2c(O)c3cc(C)ccc3n(CCC)c2=O)cc1 Show InChI InChI=1S/C24H26N2O5/c1-4-12-26-19-11-6-15(3)14-18(19)21(27)20(23(26)29)22(28)25-17-9-7-16(8-10-17)24(30)31-13-5-2/h6-11,14,27H,4-5,12-13H2,1-3H3,(H,25,28)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a
Universit£ di Siena Curated by ChEMBL					Assay Description Activity at Smo in mouse C3H10T1/2 cells assessed as induction of cell differentiation into osteoblast incubated for 6 days by alkaline phosphatase a...				Eur J Med Chem 121: 747-757 (2016) Article DOI: 10.1016/j.ejmech.2016.05.062 BindingDB Entry DOI: 10.7270/Q2W66NQ9
					More data for this Ligand-Target Pair
Smoothened homolog (Mus musculus)	BDBM50196079 (CHEMBL3891055) Show SMILES CCCCCCn1c2ccccc2c(O)c(C(=O)Nc2ccc(cc2)C(=O)OCC)c1=O Show InChI InChI=1S/C25H28N2O5/c1-3-5-6-9-16-27-20-11-8-7-10-19(20)22(28)21(24(27)30)23(29)26-18-14-12-17(13-15-18)25(31)32-4-2/h7-8,10-15,28H,3-6,9,16H2,1-2H3,(H,26,29)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	3.60E+3	n/a	n/a	n/a	n/a
Universit£ di Siena Curated by ChEMBL					Assay Description Activity at Smo in mouse C3H10T1/2 cells assessed as induction of cell differentiation into osteoblast incubated for 6 days by alkaline phosphatase a...				Eur J Med Chem 121: 747-757 (2016) Article DOI: 10.1016/j.ejmech.2016.05.062 BindingDB Entry DOI: 10.7270/Q2W66NQ9
					More data for this Ligand-Target Pair
Smoothened homolog (Mus musculus)	BDBM50196080 (CHEMBL3927217) Show SMILES CCCOC(=O)c1ccc(NC(=O)c2c(O)c3cc(OC)c(OC)cc3n(CCC)c2=O)cc1 Show InChI InChI=1S/C25H28N2O7/c1-5-11-27-18-14-20(33-4)19(32-3)13-17(18)22(28)21(24(27)30)23(29)26-16-9-7-15(8-10-16)25(31)34-12-6-2/h7-10,13-14,28H,5-6,11-12H2,1-4H3,(H,26,29)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	360	n/a	n/a	n/a	n/a
Universit£ di Siena Curated by ChEMBL					Assay Description Activity at Smo in mouse C3H10T1/2 cells assessed as induction of cell differentiation into osteoblast incubated for 6 days by alkaline phosphatase a...				Eur J Med Chem 121: 747-757 (2016) Article DOI: 10.1016/j.ejmech.2016.05.062 BindingDB Entry DOI: 10.7270/Q2W66NQ9
					More data for this Ligand-Target Pair
Smoothened homolog (Mus musculus)	BDBM50196081 (CHEMBL3971451) Show SMILES CCCCCCn1c2ccccc2c(O)c(C(=O)Nc2ccc(cc2)C(O)=O)c1=O Show InChI InChI=1S/C23H24N2O5/c1-2-3-4-7-14-25-18-9-6-5-8-17(18)20(26)19(22(25)28)21(27)24-16-12-10-15(11-13-16)23(29)30/h5-6,8-13,26H,2-4,7,14H2,1H3,(H,24,27)(H,29,30)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	600	n/a	n/a	n/a	n/a
Universit£ di Siena Curated by ChEMBL					Assay Description Activity at Smo in mouse C3H10T1/2 cells assessed as induction of cell differentiation into osteoblast incubated for 6 days by alkaline phosphatase a...				Eur J Med Chem 121: 747-757 (2016) Article DOI: 10.1016/j.ejmech.2016.05.062 BindingDB Entry DOI: 10.7270/Q2W66NQ9
					More data for this Ligand-Target Pair
Smoothened homolog (Mus musculus)	BDBM50196082 (CHEMBL3923290) Show SMILES CCCCCCn1c2ccccc2c(O)c(C(=O)Nc2ccc(cc2)C(=O)NCCCC)c1=O Show InChI InChI=1S/C27H33N3O4/c1-3-5-7-10-18-30-22-12-9-8-11-21(22)24(31)23(27(30)34)26(33)29-20-15-13-19(14-16-20)25(32)28-17-6-4-2/h8-9,11-16,31H,3-7,10,17-18H2,1-2H3,(H,28,32)(H,29,33)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	5.80E+3	n/a	n/a	n/a	n/a
Universit£ di Siena Curated by ChEMBL					Assay Description Activity at Smo in mouse C3H10T1/2 cells assessed as induction of cell differentiation into osteoblast incubated for 6 days by alkaline phosphatase a...				Eur J Med Chem 121: 747-757 (2016) Article DOI: 10.1016/j.ejmech.2016.05.062 BindingDB Entry DOI: 10.7270/Q2W66NQ9
					More data for this Ligand-Target Pair
Smoothened homolog (Mus musculus)	BDBM50196083 (CHEMBL3954578) Show SMILES CCCOC(=O)c1ccc(NC(=O)c2c(O)c3cccc4CCCn(c34)c2=O)cc1 Show InChI InChI=1S/C23H22N2O5/c1-2-13-30-23(29)15-8-10-16(11-9-15)24-21(27)18-20(26)17-7-3-5-14-6-4-12-25(19(14)17)22(18)28/h3,5,7-11,26H,2,4,6,12-13H2,1H3,(H,24,27)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	800	n/a	n/a	n/a	n/a
Universit£ di Siena Curated by ChEMBL					Assay Description Activity at Smo in mouse C3H10T1/2 cells assessed as induction of cell differentiation into osteoblast incubated for 6 days by alkaline phosphatase a...				Eur J Med Chem 121: 747-757 (2016) Article DOI: 10.1016/j.ejmech.2016.05.062 BindingDB Entry DOI: 10.7270/Q2W66NQ9
					More data for this Ligand-Target Pair
Smoothened homolog (Mus musculus)	BDBM50393851 (CHEMBL1221983) Show SMILES CN[C@H]1CC[C@@H](CC1)N(Cc1cccc(c1)-c1ccncc1)C(=O)c1sc2ccccc2c1Cl |r,wU:5.8,wD:2.1,(8.79,-24.79,;10.12,-24.01,;10.12,-22.47,;11.45,-21.7,;11.45,-20.15,;10.12,-19.4,;8.78,-20.17,;8.78,-21.7,;10.11,-17.86,;8.77,-17.1,;7.44,-17.87,;7.45,-19.42,;6.11,-20.19,;4.78,-19.43,;4.78,-17.88,;6.11,-17.11,;3.45,-17.12,;2.12,-17.89,;.78,-17.12,;.78,-15.57,;2.11,-14.8,;3.45,-15.57,;11.44,-17.08,;11.43,-15.54,;12.67,-18,;12.65,-19.54,;14.11,-20.02,;14.71,-21.43,;16.24,-21.62,;17.16,-20.38,;16.55,-18.97,;15.03,-18.79,;14.14,-17.54,;14.63,-16.08,)| Show InChI InChI=1S/C28H28ClN3OS/c1-30-22-9-11-23(12-10-22)32(28(33)27-26(29)24-7-2-3-8-25(24)34-27)18-19-5-4-6-21(17-19)20-13-15-31-16-14-20/h2-8,13-17,22-23,30H,9-12,18H2,1H3/t22-,23-	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	130	n/a	n/a	n/a	n/a
Universit£ di Siena Curated by ChEMBL					Assay Description Agonist activity at Smo in mouse C3H10T1/2 cells assessed as induction of cell differentiation into osteoblast incubated for 6 days by alkaline phosp...				Eur J Med Chem 121: 747-757 (2016) Article DOI: 10.1016/j.ejmech.2016.05.062 BindingDB Entry DOI: 10.7270/Q2W66NQ9
					More data for this Ligand-Target Pair				3D Structure (crystal)
Smoothened homolog (Mus musculus)	BDBM50196084 (CHEMBL3970506) Show SMILES CCCCCn1c2ccccc2c(O)c(C(=O)Nc2ccc(cc2)C(=O)OCCC)c1=O Show InChI InChI=1S/C25H28N2O5/c1-3-5-8-15-27-20-10-7-6-9-19(20)22(28)21(24(27)30)23(29)26-18-13-11-17(12-14-18)25(31)32-16-4-2/h6-7,9-14,28H,3-5,8,15-16H2,1-2H3,(H,26,29)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	700	n/a	n/a	n/a	n/a
Universit£ di Siena Curated by ChEMBL					Assay Description Activity at Smo in mouse C3H10T1/2 cells assessed as induction of cell differentiation into osteoblast incubated for 6 days by alkaline phosphatase a...				Eur J Med Chem 121: 747-757 (2016) Article DOI: 10.1016/j.ejmech.2016.05.062 BindingDB Entry DOI: 10.7270/Q2W66NQ9
					More data for this Ligand-Target Pair
Smoothened homolog (Mus musculus)	BDBM50196085 (CHEMBL3941789) Show SMILES CCCCn1c2ccccc2c(O)c(C(=O)Nc2ccc(cc2)C(=O)OCCC)c1=O Show InChI InChI=1S/C24H26N2O5/c1-3-5-14-26-19-9-7-6-8-18(19)21(27)20(23(26)29)22(28)25-17-12-10-16(11-13-17)24(30)31-15-4-2/h6-13,27H,3-5,14-15H2,1-2H3,(H,25,28)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	800	n/a	n/a	n/a	n/a
Universit£ di Siena Curated by ChEMBL					Assay Description Activity at Smo in mouse C3H10T1/2 cells assessed as induction of cell differentiation into osteoblast incubated for 6 days by alkaline phosphatase a...				Eur J Med Chem 121: 747-757 (2016) Article DOI: 10.1016/j.ejmech.2016.05.062 BindingDB Entry DOI: 10.7270/Q2W66NQ9
					More data for this Ligand-Target Pair
Smoothened homolog (Mus musculus)	BDBM50196086 (CHEMBL3974265) Show SMILES CCCCCCn1c2ccccc2c(O)c(C(=O)Nc2ccc(cc2)C(=O)OCc2ccccc2)c1=O Show InChI InChI=1S/C30H30N2O5/c1-2-3-4-10-19-32-25-14-9-8-13-24(25)27(33)26(29(32)35)28(34)31-23-17-15-22(16-18-23)30(36)37-20-21-11-6-5-7-12-21/h5-9,11-18,33H,2-4,10,19-20H2,1H3,(H,31,34)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a
Universit£ di Siena Curated by ChEMBL					Assay Description Activity at Smo in mouse C3H10T1/2 cells assessed as induction of cell differentiation into osteoblast incubated for 6 days by alkaline phosphatase a...				Eur J Med Chem 121: 747-757 (2016) Article DOI: 10.1016/j.ejmech.2016.05.062 BindingDB Entry DOI: 10.7270/Q2W66NQ9
					More data for this Ligand-Target Pair
Smoothened homolog (Mus musculus)	BDBM50196087 (CHEMBL3903318) Show SMILES CCCCCCn1c2ccccc2c(O)c(C(=O)Nc2ccc(cc2)C(=O)OC(C)C)c1=O Show InChI InChI=1S/C26H30N2O5/c1-4-5-6-9-16-28-21-11-8-7-10-20(21)23(29)22(25(28)31)24(30)27-19-14-12-18(13-15-19)26(32)33-17(2)3/h7-8,10-15,17,29H,4-6,9,16H2,1-3H3,(H,27,30)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	6.50E+3	n/a	n/a	n/a	n/a
Universit£ di Siena Curated by ChEMBL					Assay Description Activity at Smo in mouse C3H10T1/2 cells assessed as induction of cell differentiation into osteoblast incubated for 6 days by alkaline phosphatase a...				Eur J Med Chem 121: 747-757 (2016) Article DOI: 10.1016/j.ejmech.2016.05.062 BindingDB Entry DOI: 10.7270/Q2W66NQ9
					More data for this Ligand-Target Pair
Smoothened homolog (Mus musculus)	BDBM50196088 (CHEMBL3979766) Show SMILES CCCOC(=O)c1ccc(NC(=O)c2c(O)c3ccccc3n(CC=C)c2=O)cc1 Show InChI InChI=1S/C23H22N2O5/c1-3-13-25-18-8-6-5-7-17(18)20(26)19(22(25)28)21(27)24-16-11-9-15(10-12-16)23(29)30-14-4-2/h3,5-12,26H,1,4,13-14H2,2H3,(H,24,27)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	3.40E+3	n/a	n/a	n/a	n/a
Universit£ di Siena Curated by ChEMBL					Assay Description Activity at Smo in mouse C3H10T1/2 cells assessed as induction of cell differentiation into osteoblast incubated for 6 days by alkaline phosphatase a...				Eur J Med Chem 121: 747-757 (2016) Article DOI: 10.1016/j.ejmech.2016.05.062 BindingDB Entry DOI: 10.7270/Q2W66NQ9
					More data for this Ligand-Target Pair
Smoothened homolog (Mus musculus)	BDBM50393851 (CHEMBL1221983) Show SMILES CN[C@H]1CC[C@@H](CC1)N(Cc1cccc(c1)-c1ccncc1)C(=O)c1sc2ccccc2c1Cl |r,wU:5.8,wD:2.1,(8.79,-24.79,;10.12,-24.01,;10.12,-22.47,;11.45,-21.7,;11.45,-20.15,;10.12,-19.4,;8.78,-20.17,;8.78,-21.7,;10.11,-17.86,;8.77,-17.1,;7.44,-17.87,;7.45,-19.42,;6.11,-20.19,;4.78,-19.43,;4.78,-17.88,;6.11,-17.11,;3.45,-17.12,;2.12,-17.89,;.78,-17.12,;.78,-15.57,;2.11,-14.8,;3.45,-15.57,;11.44,-17.08,;11.43,-15.54,;12.67,-18,;12.65,-19.54,;14.11,-20.02,;14.71,-21.43,;16.24,-21.62,;17.16,-20.38,;16.55,-18.97,;15.03,-18.79,;14.14,-17.54,;14.63,-16.08,)| Show InChI InChI=1S/C28H28ClN3OS/c1-30-22-9-11-23(12-10-22)32(28(33)27-26(29)24-7-2-3-8-25(24)34-27)18-19-5-4-6-21(17-19)20-13-15-31-16-14-20/h2-8,13-17,22-23,30H,9-12,18H2,1H3/t22-,23-	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	30	n/a	n/a	n/a	n/a
Universit£ di Siena Curated by ChEMBL					Assay Description Agonist activity at Smo in mouse NIH/3T3 cells transfected with Gli-dependent firefly luciferase reporter assessed as stimulation of Gli transcriptio...				Eur J Med Chem 121: 747-757 (2016) Article DOI: 10.1016/j.ejmech.2016.05.062 BindingDB Entry DOI: 10.7270/Q2W66NQ9
					More data for this Ligand-Target Pair				3D Structure (crystal)
Smoothened homolog (Mus musculus)	BDBM50196089 (CHEMBL3950627) Show SMILES CCCOC(=O)c1ccc(NC(=O)c2c(O)c3cc(Cl)ccc3n(CCC)c2=O)cc1 Show InChI InChI=1S/C23H23ClN2O5/c1-3-11-26-18-10-7-15(24)13-17(18)20(27)19(22(26)29)21(28)25-16-8-5-14(6-9-16)23(30)31-12-4-2/h5-10,13,27H,3-4,11-12H2,1-2H3,(H,25,28)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	4.90E+3	n/a	n/a	n/a	n/a
Universit£ di Siena Curated by ChEMBL					Assay Description Activity at Smo in mouse C3H10T1/2 cells assessed as induction of cell differentiation into osteoblast incubated for 6 days by alkaline phosphatase a...				Eur J Med Chem 121: 747-757 (2016) Article DOI: 10.1016/j.ejmech.2016.05.062 BindingDB Entry DOI: 10.7270/Q2W66NQ9
					More data for this Ligand-Target Pair
Smoothened homolog (Mus musculus)	BDBM50196090 (CHEMBL3958271) Show SMILES CCCCCCn1c2ccccc2c(O)c(C(=O)Nc2ccc(cc2)C(=O)OC(C)(C)C)c1=O Show InChI InChI=1S/C27H32N2O5/c1-5-6-7-10-17-29-21-12-9-8-11-20(21)23(30)22(25(29)32)24(31)28-19-15-13-18(14-16-19)26(33)34-27(2,3)4/h8-9,11-16,30H,5-7,10,17H2,1-4H3,(H,28,31)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	3.10E+3	n/a	n/a	n/a	n/a
Universit£ di Siena Curated by ChEMBL					Assay Description Activity at Smo in mouse C3H10T1/2 cells assessed as induction of cell differentiation into osteoblast incubated for 6 days by alkaline phosphatase a...				Eur J Med Chem 121: 747-757 (2016) Article DOI: 10.1016/j.ejmech.2016.05.062 BindingDB Entry DOI: 10.7270/Q2W66NQ9
					More data for this Ligand-Target Pair
Smoothened homolog (Mus musculus)	BDBM50196091 (CHEMBL3925255) Show SMILES CCCOC(=O)c1ccc(NC(=O)c2c(O)c3ccccc3n(CCC)c2=O)cc1 Show InChI InChI=1S/C23H24N2O5/c1-3-13-25-18-8-6-5-7-17(18)20(26)19(22(25)28)21(27)24-16-11-9-15(10-12-16)23(29)30-14-4-2/h5-12,26H,3-4,13-14H2,1-2H3,(H,24,27)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a
Universit£ di Siena Curated by ChEMBL					Assay Description Activity at Smo in mouse C3H10T1/2 cells assessed as induction of cell differentiation into osteoblast incubated for 6 days by alkaline phosphatase a...				Eur J Med Chem 121: 747-757 (2016) Article DOI: 10.1016/j.ejmech.2016.05.062 BindingDB Entry DOI: 10.7270/Q2W66NQ9
					More data for this Ligand-Target Pair
Extracellular calcium-sensing receptor (Rattus norvegicus)	BDBM50139127 (CHEMBL3753595) Show SMILES C[C@@H](NCc1cc2cc(O)ccc2[nH]1)c1cccc2ccccc12 |r| Show InChI InChI=1S/C21H20N2O/c1-14(19-8-4-6-15-5-2-3-7-20(15)19)22-13-17-11-16-12-18(24)9-10-21(16)23-17/h2-12,14,22-24H,13H2,1H3/t14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	112	n/a	n/a	n/a	n/a
CNRS Curated by ChEMBL					Assay Description Agonist activity at rat brain CaSR expressed in CHO cells assessed as inositol phosphate production in presence of 3 mM extracellular Ca2+ by IP-one ...				Bioorg Med Chem 24: 554-69 (2016) Article DOI: 10.1016/j.bmc.2015.12.019 BindingDB Entry DOI: 10.7270/Q2TX3H7V
					More data for this Ligand-Target Pair