Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 50000692   

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 (Homo sapiens (Human))	BDBM24498 (3-(3-fluoro-4-{[2-(1-methyl-1H-imidazol-4-yl)thien...) Show SMILES Cn1cnc(c1)-c1cc2nccc(Oc3ccc(NC(=S)NC(=O)Cc4ccccc4)cc3F)c2s1 Show InChI InChI=1S/C26H20FN5O2S2/c1-32-14-20(29-15-32)23-13-19-25(36-23)22(9-10-28-19)34-21-8-7-17(12-18(21)27)30-26(35)31-24(33)11-16-5-3-2-4-6-16/h2-10,12-15H,11H2,1H3,(H2,30,31,33,35)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	42	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Oncologia Medica, Dipartimento Medico-Chirurgico di Internistica Clinica e Sperimentale"F. Magrassi e A. Lanzara", Università della Campania"Luigi Vanvitelli" , Via Pansini 6, 801 Curated by ChEMBL					Assay Description Displacement of [3H]-cyclopamine from human wild-type SMO receptor expressed in HEK293T cell membranes by liquid scintillation spectrometry				J Med Chem 60: 7447-7458 (2017) Article DOI: 10.1021/acs.jmedchem.7b00794 BindingDB Entry DOI: 10.7270/Q22B91GS
					More data for this Ligand-Target Pair
Smoothened homolog (Homo sapiens (Human))	BDBM50399540 (FORETINIB | US10464902, Foretinib | US10882853, Co...) Show SMILES COc1cc2c(Oc3ccc(NC(=O)C4(CC4)C(=O)Nc4ccc(F)cc4)cc3F)ccnc2cc1OCCCN1CCOCC1 Show InChI InChI=1S/C34H34F2N4O6/c1-43-30-20-25-27(21-31(30)45-16-2-13-40-14-17-44-18-15-40)37-12-9-28(25)46-29-8-7-24(19-26(29)36)39-33(42)34(10-11-34)32(41)38-23-5-3-22(35)4-6-23/h3-9,12,19-21H,2,10-11,13-18H2,1H3,(H,38,41)(H,39,42)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Oncologia Medica, Dipartimento Medico-Chirurgico di Internistica Clinica e Sperimentale"F. Magrassi e A. Lanzara", Università della Campania"Luigi Vanvitelli" , Via Pansini 6, 801 Curated by ChEMBL					Assay Description Displacement of [3H]-cyclopamine from human wild-type SMO receptor expressed in HEK293T cell membranes by liquid scintillation spectrometry				J Med Chem 60: 7447-7458 (2017) Article DOI: 10.1021/acs.jmedchem.7b00794 BindingDB Entry DOI: 10.7270/Q22B91GS
					More data for this Ligand-Target Pair