Compile Data Set for Download or QSAR

Found 27 hits with Last Name = 'di marcotullio' 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
Smoothened homolog (Mus musculus)	BDBM50468707 (CHEMBL4290935) Show SMILES COc1cc(OC)c2c(c1)occ(-c1ccc(OCc3ccccc3)c(OCc3ccccc3)c1)c2=O Show InChI InChI=1S/C31H26O6/c1-33-24-16-28(34-2)30-29(17-24)37-20-25(31(30)32)23-13-14-26(35-18-21-9-5-3-6-10-21)27(15-23)36-19-22-11-7-4-8-12-22/h3-17,20H,18-19H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	290	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Antagonist activity at smo in SAG-treated mouse Light2 cells after 48 hrs by renilla luciferase reporter gene assay				Eur J Med Chem 156: 554-562 (2018) Article DOI: 10.1016/j.ejmech.2018.07.017 BindingDB Entry DOI: 10.7270/Q2HD7ZB4
					More data for this Ligand-Target Pair
Smoothened homolog (Mus musculus)	BDBM50468718 (CHEMBL4290044) Show SMILES COc1cc(OC)c2c(c1)occ(-c1ccc(OC)c(OCc3ccc(cc3)C(F)(F)F)c1)c2=O Show InChI InChI=1S/C26H21F3O6/c1-31-18-11-22(33-3)24-23(12-18)35-14-19(25(24)30)16-6-9-20(32-2)21(10-16)34-13-15-4-7-17(8-5-15)26(27,28)29/h4-12,14H,13H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.58E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Antagonist activity at smo in SAG-treated mouse Light2 cells after 48 hrs by renilla luciferase reporter gene assay				Eur J Med Chem 156: 554-562 (2018) Article DOI: 10.1016/j.ejmech.2018.07.017 BindingDB Entry DOI: 10.7270/Q2HD7ZB4
					More data for this Ligand-Target Pair
Smoothened homolog (Mus musculus)	BDBM50468709 (CHEMBL4285647) Show SMILES [#6]-[#8]-c1cc(-[#8]-[#6])c2c(c1)occ(-c1ccc(-[#8]-[#6])c(-[#8]-[#6]\[#6]=[#6](\[#6])-[#6])c1)c2=O Show InChI InChI=1S/C23H24O6/c1-14(2)8-9-28-19-10-15(6-7-18(19)26-4)17-13-29-21-12-16(25-3)11-20(27-5)22(21)23(17)24/h6-8,10-13H,9H2,1-5H3	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.87E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Antagonist activity at smo in SAG-treated mouse Light2 cells after 48 hrs by renilla luciferase reporter gene assay				Eur J Med Chem 156: 554-562 (2018) Article DOI: 10.1016/j.ejmech.2018.07.017 BindingDB Entry DOI: 10.7270/Q2HD7ZB4
					More data for this Ligand-Target Pair
Smoothened homolog (Mus musculus)	BDBM50468720 (CHEMBL4293248) Show SMILES COc1cc(OC)c2c(c1)occ(-c1ccc(OCc3ccc(cc3)C(F)(F)F)c(OC)c1)c2=O Show InChI InChI=1S/C26H21F3O6/c1-31-18-11-22(33-3)24-23(12-18)35-14-19(25(24)30)16-6-9-20(21(10-16)32-2)34-13-15-4-7-17(8-5-15)26(27,28)29/h4-12,14H,13H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.48E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Antagonist activity at smo in SAG-treated mouse Light2 cells after 48 hrs by renilla luciferase reporter gene assay				Eur J Med Chem 156: 554-562 (2018) Article DOI: 10.1016/j.ejmech.2018.07.017 BindingDB Entry DOI: 10.7270/Q2HD7ZB4
					More data for this Ligand-Target Pair
Smoothened homolog (Mus musculus)	BDBM50468708 (CHEMBL4291101) Show SMILES [#6]-[#8]-c1cc(-[#8]-[#6])c2c(c1)occ(-c1ccc(-[#8]-[#6])c(-[#8]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])c1)c2=O Show InChI InChI=1S/C28H32O6/c1-18(2)8-7-9-19(3)12-13-33-24-14-20(10-11-23(24)31-5)22-17-34-26-16-21(30-4)15-25(32-6)27(26)28(22)29/h8,10-12,14-17H,7,9,13H2,1-6H3/b19-12+	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.61E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Antagonist activity at smo in SAG-treated mouse Light2 cells after 48 hrs by renilla luciferase reporter gene assay				Eur J Med Chem 156: 554-562 (2018) Article DOI: 10.1016/j.ejmech.2018.07.017 BindingDB Entry DOI: 10.7270/Q2HD7ZB4
					More data for this Ligand-Target Pair
Smoothened homolog (Mus musculus)	BDBM50468711 (CHEMBL4286606) Show SMILES COc1cc(OC)c2c(c1)occ(-c1ccc(OC)c(OCc3ccccc3)c1)c2=O Show InChI InChI=1S/C25H22O6/c1-27-18-12-22(29-3)24-23(13-18)31-15-19(25(24)26)17-9-10-20(28-2)21(11-17)30-14-16-7-5-4-6-8-16/h4-13,15H,14H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.72E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Antagonist activity at smo in SAG-treated mouse Light2 cells after 48 hrs by renilla luciferase reporter gene assay				Eur J Med Chem 156: 554-562 (2018) Article DOI: 10.1016/j.ejmech.2018.07.017 BindingDB Entry DOI: 10.7270/Q2HD7ZB4
					More data for this Ligand-Target Pair
Zinc finger protein GLI1 (Mus musculus)	BDBM50468709 (CHEMBL4285647) Show SMILES [#6]-[#8]-c1cc(-[#8]-[#6])c2c(c1)occ(-c1ccc(-[#8]-[#6])c(-[#8]-[#6]\[#6]=[#6](\[#6])-[#6])c1)c2=O Show InChI InChI=1S/C23H24O6/c1-14(2)8-9-28-19-10-15(6-7-18(19)26-4)17-13-29-21-12-16(25-3)11-20(27-5)22(21)23(17)24/h6-8,10-13H,9H2,1-5H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of Gli1 transcriptional activity in mouse embroyonic fibroblasts after 24 hrs by renilla luciferase reporter gene assay				Eur J Med Chem 156: 554-562 (2018) Article DOI: 10.1016/j.ejmech.2018.07.017 BindingDB Entry DOI: 10.7270/Q2HD7ZB4
					More data for this Ligand-Target Pair
Smoothened homolog (Mus musculus)	BDBM50468715 (CHEMBL4289866) Show SMILES COc1cc(OC)c2c(c1)occ(-c1ccc(OCc3ccccc3)c(OC)c1)c2=O Show InChI InChI=1S/C25H22O6/c1-27-18-12-22(29-3)24-23(13-18)31-15-19(25(24)26)17-9-10-20(21(11-17)28-2)30-14-16-7-5-4-6-8-16/h4-13,15H,14H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.92E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Antagonist activity at smo in SAG-treated mouse Light2 cells after 48 hrs by renilla luciferase reporter gene assay				Eur J Med Chem 156: 554-562 (2018) Article DOI: 10.1016/j.ejmech.2018.07.017 BindingDB Entry DOI: 10.7270/Q2HD7ZB4
					More data for this Ligand-Target Pair
Smoothened homolog (Mus musculus)	BDBM50468706 (CHEMBL4279181) Show SMILES [#6]-[#8]-c1cc(-[#8]-[#6])c2c(c1)occ(-c1ccc(-[#8]-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8]-[#6])c1)c2=O Show InChI InChI=1S/C23H24O6/c1-14(2)8-9-28-18-7-6-15(10-19(18)26-4)17-13-29-21-12-16(25-3)11-20(27-5)22(21)23(17)24/h6-8,10-13H,9H2,1-5H3	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.97E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Antagonist activity at smo in SAG-treated mouse Light2 cells after 48 hrs by renilla luciferase reporter gene assay				Eur J Med Chem 156: 554-562 (2018) Article DOI: 10.1016/j.ejmech.2018.07.017 BindingDB Entry DOI: 10.7270/Q2HD7ZB4
					More data for this Ligand-Target Pair
Smoothened homolog (Mus musculus)	BDBM50468716 (CHEMBL4289632) Show SMILES COc1cc(OC)c2c(c1)occ(-c1cccc(OCc3ccc(cc3)C(F)(F)F)c1)c2=O Show InChI InChI=1S/C25H19F3O5/c1-30-19-11-21(31-2)23-22(12-19)33-14-20(24(23)29)16-4-3-5-18(10-16)32-13-15-6-8-17(9-7-15)25(26,27)28/h3-12,14H,13H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.05E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Antagonist activity at smo in SAG-treated mouse Light2 cells after 48 hrs by renilla luciferase reporter gene assay				Eur J Med Chem 156: 554-562 (2018) Article DOI: 10.1016/j.ejmech.2018.07.017 BindingDB Entry DOI: 10.7270/Q2HD7ZB4
					More data for this Ligand-Target Pair
Zinc finger protein GLI1 (Mus musculus)	BDBM50468706 (CHEMBL4279181) Show SMILES [#6]-[#8]-c1cc(-[#8]-[#6])c2c(c1)occ(-c1ccc(-[#8]-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8]-[#6])c1)c2=O Show InChI InChI=1S/C23H24O6/c1-14(2)8-9-28-18-7-6-15(10-19(18)26-4)17-13-29-21-12-16(25-3)11-20(27-5)22(21)23(17)24/h6-8,10-13H,9H2,1-5H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.07E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of Gli1 transcriptional activity in mouse embroyonic fibroblasts after 24 hrs by renilla luciferase reporter gene assay				Eur J Med Chem 156: 554-562 (2018) Article DOI: 10.1016/j.ejmech.2018.07.017 BindingDB Entry DOI: 10.7270/Q2HD7ZB4
					More data for this Ligand-Target Pair
Zinc finger protein GLI1 (Mus musculus)	BDBM50468718 (CHEMBL4290044) Show SMILES COc1cc(OC)c2c(c1)occ(-c1ccc(OC)c(OCc3ccc(cc3)C(F)(F)F)c1)c2=O Show InChI InChI=1S/C26H21F3O6/c1-31-18-11-22(33-3)24-23(12-18)35-14-19(25(24)30)16-6-9-20(32-2)21(10-16)34-13-15-4-7-17(8-5-15)26(27,28)29/h4-12,14H,13H2,1-3H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.15E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of Gli1 transcriptional activity in mouse embroyonic fibroblasts after 24 hrs by renilla luciferase reporter gene assay				Eur J Med Chem 156: 554-562 (2018) Article DOI: 10.1016/j.ejmech.2018.07.017 BindingDB Entry DOI: 10.7270/Q2HD7ZB4
					More data for this Ligand-Target Pair
Smoothened homolog (Mus musculus)	BDBM50233217 (CHEMBL4090942) Show SMILES COc1cccc(c1)C(=O)c1c([nH]c2ccccc2c1=O)-c1ccccc1 Show InChI InChI=1S/C23H17NO3/c1-27-17-11-7-10-16(14-17)22(25)20-21(15-8-3-2-4-9-15)24-19-13-6-5-12-18(19)23(20)26/h2-14H,1H3,(H,24,26)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.38E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University Curated by ChEMBL					Assay Description Inhibition of Bodipy-cyclopamine binding to mouse FLAG-tagged Smo expressed in HEK293 cells after 3 hrs by Hoechst staining based fluorescence assay				J Med Chem 60: 1469-1477 (2017) Article DOI: 10.1021/acs.jmedchem.6b01135 BindingDB Entry DOI: 10.7270/Q25X2C51
					More data for this Ligand-Target Pair
Smoothened homolog (Mus musculus)	BDBM50468712 (CHEMBL4279361) Show SMILES COc1cc(OC)c2c(c1)occ(-c1ccc(OC)c(OCc3ccc(cc3)C#N)c1)c2=O Show InChI InChI=1S/C26H21NO6/c1-29-19-11-23(31-3)25-24(12-19)33-15-20(26(25)28)18-8-9-21(30-2)22(10-18)32-14-17-6-4-16(13-27)5-7-17/h4-12,15H,14H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Antagonist activity at smo in SAG-treated mouse Light2 cells after 48 hrs by renilla luciferase reporter gene assay				Eur J Med Chem 156: 554-562 (2018) Article DOI: 10.1016/j.ejmech.2018.07.017 BindingDB Entry DOI: 10.7270/Q2HD7ZB4
					More data for this Ligand-Target Pair
Zinc finger protein GLI1 (Mus musculus)	BDBM50468711 (CHEMBL4286606) Show SMILES COc1cc(OC)c2c(c1)occ(-c1ccc(OC)c(OCc3ccccc3)c1)c2=O Show InChI InChI=1S/C25H22O6/c1-27-18-12-22(29-3)24-23(13-18)31-15-19(25(24)26)17-9-10-20(28-2)21(11-17)30-14-16-7-5-4-6-8-16/h4-13,15H,14H2,1-3H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.71E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of Gli1 transcriptional activity in mouse embroyonic fibroblasts after 24 hrs by renilla luciferase reporter gene assay				Eur J Med Chem 156: 554-562 (2018) Article DOI: 10.1016/j.ejmech.2018.07.017 BindingDB Entry DOI: 10.7270/Q2HD7ZB4
					More data for this Ligand-Target Pair
Zinc finger protein GLI1 (Mus musculus)	BDBM50468710 (CHEMBL4281758) Show SMILES [#6]-[#8]-c1cc(-[#8]-[#6])c2c(c1)occ(-c1cccc(-[#8]-[#6]\[#6]=[#6](\[#6])-[#6])c1)c2=O Show InChI InChI=1S/C22H22O5/c1-14(2)8-9-26-16-7-5-6-15(10-16)18-13-27-20-12-17(24-3)11-19(25-4)21(20)22(18)23/h5-8,10-13H,9H2,1-4H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of Gli1 transcriptional activity in mouse embroyonic fibroblasts after 24 hrs by renilla luciferase reporter gene assay				Eur J Med Chem 156: 554-562 (2018) Article DOI: 10.1016/j.ejmech.2018.07.017 BindingDB Entry DOI: 10.7270/Q2HD7ZB4
					More data for this Ligand-Target Pair
Zinc finger protein GLI1 (Mus musculus)	BDBM50468708 (CHEMBL4291101) Show SMILES [#6]-[#8]-c1cc(-[#8]-[#6])c2c(c1)occ(-c1ccc(-[#8]-[#6])c(-[#8]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])c1)c2=O Show InChI InChI=1S/C28H32O6/c1-18(2)8-7-9-19(3)12-13-33-24-14-20(10-11-23(24)31-5)22-17-34-26-16-21(30-4)15-25(32-6)27(26)28(22)29/h8,10-12,14-17H,7,9,13H2,1-6H3/b19-12+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.12E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of Gli1 transcriptional activity in mouse embroyonic fibroblasts after 24 hrs by renilla luciferase reporter gene assay				Eur J Med Chem 156: 554-562 (2018) Article DOI: 10.1016/j.ejmech.2018.07.017 BindingDB Entry DOI: 10.7270/Q2HD7ZB4
					More data for this Ligand-Target Pair
Smoothened homolog (Mus musculus)	BDBM50233218 (CHEMBL4063037) Show SMILES Brc1ccc2[nH]c(-c3ccccc3)c(C(=O)c3ccccc3)c(=O)c2c1 Show InChI InChI=1S/C22H14BrNO2/c23-16-11-12-18-17(13-16)22(26)19(21(25)15-9-5-2-6-10-15)20(24-18)14-7-3-1-4-8-14/h1-13H,(H,24,26)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University Curated by ChEMBL					Assay Description Inhibition of Bodipy-cyclopamine binding to mouse FLAG-tagged Smo expressed in HEK293 cells after 3 hrs by Hoechst staining based fluorescence assay				J Med Chem 60: 1469-1477 (2017) Article DOI: 10.1021/acs.jmedchem.6b01135 BindingDB Entry DOI: 10.7270/Q25X2C51
					More data for this Ligand-Target Pair
Zinc finger protein GLI1 (Mus musculus)	BDBM50468716 (CHEMBL4289632) Show SMILES COc1cc(OC)c2c(c1)occ(-c1cccc(OCc3ccc(cc3)C(F)(F)F)c1)c2=O Show InChI InChI=1S/C25H19F3O5/c1-30-19-11-21(31-2)23-22(12-19)33-14-20(24(23)29)16-4-3-5-18(10-16)32-13-15-6-8-17(9-7-15)25(26,27)28/h3-12,14H,13H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.67E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of Gli1 transcriptional activity in mouse embroyonic fibroblasts after 24 hrs by renilla luciferase reporter gene assay				Eur J Med Chem 156: 554-562 (2018) Article DOI: 10.1016/j.ejmech.2018.07.017 BindingDB Entry DOI: 10.7270/Q2HD7ZB4
					More data for this Ligand-Target Pair
Smoothened homolog (Mus musculus)	BDBM50468714 (CHEMBL4282816) Show SMILES COc1cc(OC)c2c(c1)occ(-c1ccc(OC)c(OCc3ccc(cc3)C(N)=O)c1)c2=O Show InChI InChI=1S/C26H23NO7/c1-30-18-11-22(32-3)24-23(12-18)34-14-19(25(24)28)17-8-9-20(31-2)21(10-17)33-13-15-4-6-16(7-5-15)26(27)29/h4-12,14H,13H2,1-3H3,(H2,27,29)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Antagonist activity at smo in SAG-treated mouse Light2 cells after 48 hrs by renilla luciferase reporter gene assay				Eur J Med Chem 156: 554-562 (2018) Article DOI: 10.1016/j.ejmech.2018.07.017 BindingDB Entry DOI: 10.7270/Q2HD7ZB4
					More data for this Ligand-Target Pair
Smoothened homolog (Mus musculus)	BDBM50468713 (CHEMBL4293424) Show SMILES COC(=O)c1ccc(COc2cc(ccc2OC)-c2coc3cc(OC)cc(OC)c3c2=O)cc1 Show InChI InChI=1S/C27H24O8/c1-30-19-12-23(32-3)25-24(13-19)35-15-20(26(25)28)18-9-10-21(31-2)22(11-18)34-14-16-5-7-17(8-6-16)27(29)33-4/h5-13,15H,14H2,1-4H3	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Antagonist activity at smo in SAG-treated mouse Light2 cells after 48 hrs by renilla luciferase reporter gene assay				Eur J Med Chem 156: 554-562 (2018) Article DOI: 10.1016/j.ejmech.2018.07.017 BindingDB Entry DOI: 10.7270/Q2HD7ZB4
					More data for this Ligand-Target Pair
Smoothened homolog (Mus musculus)	BDBM50468717 (CHEMBL4286204) Show SMILES COc1cc(OC)c2c(c1)occ(-c1cccc(O)c1)c2=O Show InChI InChI=1S/C17H14O5/c1-20-12-7-14(21-2)16-15(8-12)22-9-13(17(16)19)10-4-3-5-11(18)6-10/h3-9,18H,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Antagonist activity at smo in SAG-treated mouse Light2 cells after 48 hrs by renilla luciferase reporter gene assay				Eur J Med Chem 156: 554-562 (2018) Article DOI: 10.1016/j.ejmech.2018.07.017 BindingDB Entry DOI: 10.7270/Q2HD7ZB4
					More data for this Ligand-Target Pair
Smoothened homolog (Mus musculus)	BDBM50468710 (CHEMBL4281758) Show SMILES [#6]-[#8]-c1cc(-[#8]-[#6])c2c(c1)occ(-c1cccc(-[#8]-[#6]\[#6]=[#6](\[#6])-[#6])c1)c2=O Show InChI InChI=1S/C22H22O5/c1-14(2)8-9-26-16-7-5-6-15(10-16)18-13-27-20-12-17(24-3)11-19(25-4)21(20)22(18)23/h5-8,10-13H,9H2,1-4H3	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Antagonist activity at smo in SAG-treated mouse Light2 cells after 48 hrs by renilla luciferase reporter gene assay				Eur J Med Chem 156: 554-562 (2018) Article DOI: 10.1016/j.ejmech.2018.07.017 BindingDB Entry DOI: 10.7270/Q2HD7ZB4
					More data for this Ligand-Target Pair
Smoothened homolog (Mus musculus)	BDBM50468719 (CHEMBL4278297) Show SMILES COc1cc(OC)c2c(c1)occ(-c1ccc(OC)c(OCc3ccc(cc3)[N+]([O-])=O)c1)c2=O Show InChI InChI=1S/C25H21NO8/c1-30-18-11-22(32-3)24-23(12-18)34-14-19(25(24)27)16-6-9-20(31-2)21(10-16)33-13-15-4-7-17(8-5-15)26(28)29/h4-12,14H,13H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Antagonist activity at smo in SAG-treated mouse Light2 cells after 48 hrs by renilla luciferase reporter gene assay				Eur J Med Chem 156: 554-562 (2018) Article DOI: 10.1016/j.ejmech.2018.07.017 BindingDB Entry DOI: 10.7270/Q2HD7ZB4
					More data for this Ligand-Target Pair
Zinc finger protein GLI1 (Mus musculus)	BDBM50468715 (CHEMBL4289866) Show SMILES COc1cc(OC)c2c(c1)occ(-c1ccc(OCc3ccccc3)c(OC)c1)c2=O Show InChI InChI=1S/C25H22O6/c1-27-18-12-22(29-3)24-23(13-18)31-15-19(25(24)26)17-9-10-20(21(11-17)28-2)30-14-16-7-5-4-6-8-16/h4-13,15H,14H2,1-3H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.92E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of Gli1 transcriptional activity in mouse embroyonic fibroblasts after 24 hrs by renilla luciferase reporter gene assay				Eur J Med Chem 156: 554-562 (2018) Article DOI: 10.1016/j.ejmech.2018.07.017 BindingDB Entry DOI: 10.7270/Q2HD7ZB4
					More data for this Ligand-Target Pair
Zinc finger protein GLI1 (Mus musculus)	BDBM50468720 (CHEMBL4293248) Show SMILES COc1cc(OC)c2c(c1)occ(-c1ccc(OCc3ccc(cc3)C(F)(F)F)c(OC)c1)c2=O Show InChI InChI=1S/C26H21F3O6/c1-31-18-11-22(33-3)24-23(12-18)35-14-19(25(24)30)16-6-9-20(21(10-16)32-2)34-13-15-4-7-17(8-5-15)26(27,28)29/h4-12,14H,13H2,1-3H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.53E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of Gli1 transcriptional activity in mouse embroyonic fibroblasts after 24 hrs by renilla luciferase reporter gene assay				Eur J Med Chem 156: 554-562 (2018) Article DOI: 10.1016/j.ejmech.2018.07.017 BindingDB Entry DOI: 10.7270/Q2HD7ZB4
					More data for this Ligand-Target Pair
Zinc finger protein GLI1 (Mus musculus)	BDBM50468707 (CHEMBL4290935) Show SMILES COc1cc(OC)c2c(c1)occ(-c1ccc(OCc3ccccc3)c(OCc3ccccc3)c1)c2=O Show InChI InChI=1S/C31H26O6/c1-33-24-16-28(34-2)30-29(17-24)37-20-25(31(30)32)23-13-14-26(35-18-21-9-5-3-6-10-21)27(15-23)36-19-22-11-7-4-8-12-22/h3-17,20H,18-19H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.77E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of Gli1 transcriptional activity in mouse embroyonic fibroblasts after 24 hrs by renilla luciferase reporter gene assay				Eur J Med Chem 156: 554-562 (2018) Article DOI: 10.1016/j.ejmech.2018.07.017 BindingDB Entry DOI: 10.7270/Q2HD7ZB4
					More data for this Ligand-Target Pair