ChEMBL ligand: CHEMBL473417 (Erivedge, GDC-0449, NSC-747691, NSC-755986, Vismodegib)
Kv11.1/HERG in Human [ChEMBL: CHEMBL240] [GtoPdb: 572] [UniProtKB: Q12809] There should be some charts here, you may need to enable JavaScript!
SMO/Smoothened homolog in Human [ChEMBL: CHEMBL5971] [GtoPdb: 239] [UniProtKB: Q99835] SMO/Smoothened homolog in Mouse [ChEMBL: CHEMBL6080] [GtoPdb: 239] [UniProtKB: P56726] There should be some charts here, you may need to enable JavaScript!
Sonic hedgehog protein in Human [ChEMBL: CHEMBL5602] [UniProtKB: Q15465] Sonic hedgehog protein in Mouse [ChEMBL: CHEMBL5387] [UniProtKB: Q62226] There should be some charts here, you may need to enable JavaScript!

DB	Assay description	Assay Type	Standard value	Standard parameter	Original value	Original units	Original parameter	Reference
Kv11.1/HERG in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL240] [GtoPdb: 572] [UniProtKB: Q12809]
ChEMBL	Inhibition of human ERG	B	4.48	pIC50	>33000	nM	IC50	Bioorg Med Chem (2020) 28: 115227-115227 [PMID:31862310]
SMO/Smoothened homolog in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5971] [GtoPdb: 239] [UniProtKB: Q99835]
ChEMBL	Binding affinity to recombinant human Smo receptor assessed as dissociation constant at equilibrium by SPR analysis	B	7.01	pKd	97.5	nM	Kd	Bioorg Med Chem (2020) 28: 115584-115584 [PMID:32690258]
GtoPdb	-	-	7.79	pKi	16.2	nM	Ki	Bioorg Med Chem (2012) 20: 6751-7 [PMID:23063522]
ChEMBL	Displacement of [3H]cyclopamine from wild type Smo expressed in U2OS cells after 2 hrs by scintillation counting	B	7.79	pKi	16.2	nM	Ki	Bioorg Med Chem (2012) 20: 6751-6757 [PMID:23063522]
ChEMBL	Displacement of [3H]-cyclopamine from SMO V404M mutant in gefitinib resistant human HCC827 cells by scintillation counting	B	7.91	pKi	12.2	nM	Ki	J Med Chem (2017) 60: 7447-7458 [PMID:28787156]
ChEMBL	Displacement of BODIPY-Cyclopamine from human HA-tagged Smo receptor expressed in human U2OS cells at 1 to 10000 nM incubated for 2 hrs by DAPI staining based fluorescence microscopic method	B	7.13	pIC50	74	nM	IC50	Eur J Med Chem (2019) 172: 1-15 [PMID:30939349]
ChEMBL	Antagonist activity at smoothened (unknown origin) expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh signaling by dual luciferase reporter gene assay	F	7.48	pIC50	33	nM	IC50	Bioorg Med Chem Lett (2014) 24: 1426-1431 [PMID:24491459]
ChEMBL	Inhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assay	B	7.64	pIC50	23	nM	IC50	Bioorg Med Chem Lett (2014) 24: 2300-2304 [PMID:24726807]
ChEMBL	Inhibition of smoothened (unknown origin)-mediated Shh signaling	B	7.7	pIC50	20	nM	IC50	Bioorg Med Chem Lett (2014) 24: 1426-1431 [PMID:24491459]
ChEMBL	Inhibition of SMO D473H mutant receptor (unknown origin) assessed as inhibition of SAG-induced Hh signaling pathway by Gli luciferase reporter cell-based assay	B	7.88	pIC50	13.06	nM	IC50	Bioorg Med Chem (2020) 28: 115354-115354 [PMID:32063403]
ChEMBL	Inhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assay	F	8.15	pIC50	7	nM	IC50	J Med Chem (2012) 55: 1559-1571 [PMID:22268551]
ChEMBL	Displacement of BODIPY-labelled cyclopamine from human Smo receptor expressed in HEK293 cells after 2 hrs by fluorescence microscopy	B	8.15	pIC50	7	nM	IC50	J Med Chem (2012) 55: 1559-1571 [PMID:22268551]
ChEMBL	Displacement of boron-dipyrromethene-cyclopamine from human smoothened receptor expressed in HEK293 cells incubated for 4 hrs by hSMO-BC binding assay	B	8.22	pIC50	6	nM	IC50	Medchemcomm (2015) 6: 1137-1142
ChEMBL	Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells incubated for 3 hrs by fluorescence competitive displacement assay	B	8.29	pIC50	5.1	nM	IC50	Medchemcomm (2016) 7: 960-965
ChEMBL	Inhibition of SMO-mediated hedgehog signalling pathway in human HPEM cells by luciferase reporter gene assay	B	9.4	pIC50	0.4	nM	IC50	Bioorg Med Chem (2020) 28: 115227-115227 [PMID:31862310]
ChEMBL	Displacement of BODIPY-labeled cyclopamine from human SMO transfected in human HeLa cells by competition binding assay	B	8.52	pEC50	3	nM	EC50	Bioorg Med Chem (2020) 28: 115227-115227 [PMID:31862310]
ChEMBL	Binding affinity to human SMO	B	8.7	pEC50	2	nM	EC50	Bioorg Med Chem (2020) 28: 115227-115227 [PMID:31862310]
SMO/Smoothened homolog in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL6080] [GtoPdb: 239] [UniProtKB: P56726]
ChEMBL	Antagonist activity at SMO in mouse NIH3T3 cells preincubated for 2 hrs followed by SAG stimulation and measured after 24 hrs by Bright-Glo luciferase assay	F	6.4	pIC50	400	nM	IC50	J Med Chem (2021) 64: 13830-13840 [PMID:34492176]
ChEMBL	Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay	F	7.34	pIC50	46	nM	IC50	Eur J Med Chem (2018) 155: 34-48 [PMID:29857275]
ChEMBL	Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay	B	7.34	pIC50	46	nM	IC50	Eur J Med Chem (2019) 172: 1-15 [PMID:30939349]
ChEMBL	Inhibition of Smo-mediated Hh signalling pathway in mouse Shh Light2 cells by Gli-luciferase reporter gene assay	B	7.41	pIC50	39.2	nM	IC50	J Med Chem (2016) 59: 11050-11068 [PMID:27736063]
ChEMBL	Inhibition of SMO in mouse NIH/3T3 cells assessed as inhibition of SAG-induced hedgehog-mediated luminescence signaling by GRE-luciferase reporter gene assay	B	7.8	pIC50	16	nM	IC50	Bioorg Med Chem Lett (2015) 25: 3665-3670 [PMID:26119500]
ChEMBL	Inhibition of smo-mediated hedgehog signaling pathway in mouse NIH3T3 cells expressing GRE-Luc reporter gene assessed as inhibition of SAG-induced GRE-Luc reporter activity after 48 hrs by luminescence assay	F	8.22	pIC50	6	nM	IC50	Eur J Med Chem (2018) 149: 110-121 [PMID:29499483]
ChEMBL	Inhibition of Smo in mouse C3H10T1/2 cells using human recombinant SHH assessed as effect on SMO/SHH transient transcriptional activation after 20 hrs by Gli-luciferase reporter assay	B	8.3	pIC50	5	nM	IC50	ACS Med Chem Lett (2012) 3: 106-111 [PMID:24900436]
ChEMBL	Antagonist activity at Smo in mouse Shh-Light 2 cells assessed as inhibition of Shh-induced Gli1-reporter activity after 2 days by dual-luciferase reporter gene method	F	8.82	pIC50	1.5	nM	IC50	Bioorg Med Chem (2012) 20: 6751-6757 [PMID:23063522]
ChEMBL	Inhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrs	B	8.33	pEC50	4.7	nM	EC50	Bioorg Med Chem (2020) 28: 115227-115227 [PMID:31862310]
ChEMBL	Displacement of BODIPY-labeled cyclopamine from mouse SMO transfected in human HeLa cells by competition binding assay	B	8.7	pEC50	2	nM	EC50	Bioorg Med Chem (2020) 28: 115227-115227 [PMID:31862310]
Sonic hedgehog protein in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5602] [UniProtKB: Q15465]
ChEMBL	Inhibition of human SHH pathway in mouse S12 cells assessed as GLI-mediated transcriptional activity after 48 hrs by luciferase reporter gene assay in presence of 0.5 mg/mL human alpha-1-acid glycoprotein	B	5.76	pIC50	1750	nM	IC50	J Med Chem (2011) 54: 2592-2601 [PMID:21438527]
ChEMBL	Inhibition of human SHH pathway in mouse S12 cells assessed as GLI-mediated transcriptional activity after 48 hrs by luciferase reporter gene assay	B	7.82	pIC50	15	nM	IC50	J Med Chem (2011) 54: 2592-2601 [PMID:21438527]
Sonic hedgehog protein in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5387] [UniProtKB: Q62226]
ChEMBL	Inhibition of hedgehog signalling in mouse C3H10T1/2 cells assessed as reduction in Smo agonist SAG induced cell differentiation into alkaline phosphatase-positive osteoblasts using pNp substrate incubated for 72 hrs	B	7.77	pIC50	17	nM	IC50	Medchemcomm (2015) 6: 1137-1142
ChEMBL	Inhibition of SHH in mouse C3H10T1/2 cells by Gli-luciferase reporter gene assay	B	7.89	pIC50	13	nM	IC50	Bioorg Med Chem Lett (2009) 19: 5576-5581 [PMID:19716296]
ChEMBL	Inhibition of hedgehog signalling in mouse NIH3T3-Gli-luc cells after 48 hrs by dual luciferase reporter assay	B	7.89	pIC50	13	nM	IC50	Medchemcomm (2015) 6: 1137-1142
ChEMBL	Inhibition of SHH signaling pathway in mouse NIH3T3 cells measured after 48 hrs by Gli-luciferase reporter assay	B	8.14	pIC50	7.2	nM	IC50	Bioorg Med Chem Lett (2013) 23: 6777-6783 [PMID:24176396]
ChEMBL	Inhibition of SHH in mouse Shh Light2 cells by GLI-responsive firefly luciferase reporter gene assay	F	8.52	pIC50	3	nM	IC50	J Med Chem (2009) 52: 3829-3845 [PMID:19309080]

ChEMBL data shown on this page come from version 33:

Mendez D, Gaulton A, Bento AP, Chambers J, De Veij M, Félix E, Magariños MP, Mosquera JF, Mutowo P, Nowotka M, Gordillo-Marañón M, Hunter F, Junco L, Mugumbate G, Rodriguez-Lopez M, Atkinson F, Bosc N, Radoux CJ, Segura-Cabrera A, Hersey A, Leach AR. (2019) 'ChEMBL: towards direct deposition of bioassay data' Nucleic Acids Res., 47(D1). DOI: 10.1093/nar/gky1075. [EPMCID:30398643]
Davies M, Nowotka M, Papadatos G, Dedman N, Gaulton A, Atkinson F, Bellis L, Overington JP. (2015) 'ChEMBL web services: streamlining access to drug discovery data and utilities.' Nucleic Acids Res., 43(W1). DOI: 10.1093/nar/gkv352. [EPMCID:25883136]