ChEMBL ligand: CHEMBL473417 (Erivedge, GDC-0449, NSC-747691, NSC-755986, Vismodegib)
ABCG2/ATP-binding cassette sub-family G member 2 in Human [ChEMBL: CHEMBL5393] [GtoPdb: 792] [UniProtKB: Q9UNQ0] There should be some charts here, you may need to enable JavaScript!
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
ABCG2/ATP-binding cassette sub-family G member 2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5393] [GtoPdb: 792] [UniProtKB: Q9UNQ0]
ChEMBL	Inhibition of ABCG2 (unknown origin) expressed in human HEK293 cells assessed as BODIPY-Prazosin uptake and measured after 2 hrs by FACScan flow cytometry analysis	B	5.85	pIC50	1400	nM	IC50	Eur J Med Chem (2022) 237: 114346-114346 [PMID:35483322]
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 34:

Zdrazil B, Felix E, Hunter F, Manners EJ, Blackshaw J, Corbett S, de Veij M, Ioannidis H, Lopez DM, Mosquera JF, Magarinos MP, Bosc N, Arcila R, Kizilören T, Gaulton A, Bento AP, Adasme MF, Monecke P, Landrum GA, Leach AR. (2024). The ChEMBL Database in 2023: a drug discovery platform spanning multiple bioactivity data types and time periods. Nucleic Acids Res., 52(D1). DOI: 10.1093/nar/gkad1004. [EPMCID:10767899] [PMID:37933841]
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]