Compile Data Set for Download or QSAR

Found 10 hits Enz. Inhib. hit(s) with all data for assayid = 2 entry = 50003264   

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
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
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
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
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
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