ChEMBL ligand: CHEMBL5095105 (Lorundrostat, MLS-101, MLS-101 FREE BASE, MLS101 FREE BASE, MT-4129, MT-4129 FREE BASE, MT4129 FREE BASE)
CYP11B2/Cytochrome P450 11B2, mitochondrial in Human [ChEMBL: CHEMBL2722] [GtoPdb: 1360] [UniProtKB: P19099] There should be some charts here, you may need to enable JavaScript!
CYP11B1 in Human [GtoPdb: 1359] [UniProtKB: P15538] 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
CYP11B2/Cytochrome P450 11B2, mitochondrial in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2722] [GtoPdb: 1360] [UniProtKB: P19099]
GtoPdb	Measuring inhibition of aldosterone generation from the substrate 11-DOC in the mitochondrial fraction of V79 cells stably expressing hCYP11B2	-	8.9	pKi	1.27	nM	Ki	Clin Transl Sci (2024) 17: e70000 [PMID:39152532]
ChEMBL	Inhibitory Effect on hCYP11B2: The pcDNA3.1-human CYP11B2 plasmid was transfected into a Chinese hamster lung fibroblast V79 cell line to produce a cell line stably expressing human CYP11B2 gene.The cells were cultured and grown in the Dulbecco's modified Eagle's/Ham's medium supplemented with 10% fetal bovine serum and 1% G418 disulfate solution under the environment of 37° C., 95% air, and 5% CO2, and the grown cells were harvested.Then, the cells were fractionated to obtain mitochondria by reference to a method described in Chabre et al. JCE 86 M 85 (11) 4060-68, 2000. In particular, the cells suspended in a 5 mmol/L Tris-HCl buffer (pH 7.4) containing 250 mmol/L sucrose were homogenized in a Teflon (Registered Trademark) Potter Elvehjem homogenizer, and then the suspension was centrifuged (800×g, 15 min.). The supernatant was separated and again centrifuged (10000×g, 15 min.) to obtain a pellet (mitochondrial fraction).The mitochondrial fraction diluted with a buffer containing 10 mmol/L KH2PO4, 10 mmol/L Tris, 20 mmol/L KCl, 25 mmol/L sucrose, 5 mmol/L MgCl2, and 0.05% bovine serum albumin was dispensed to a 96-well plate. 0.5 μmol/L Deoxycorticosterone, 150 μmol/L NADPH and a compound of each concentration were added to each well, and incubated for 1.5-2 hours at room temperature to produce aldosterone. An amount of the produced aldosterone in the incubated solution was determined by using HTRF (Homogeneous Time Resolved Fluorescence) method.IC 50 (nmol/L) was calculated by analyzing the aldosterone production inhibition rate (%) of each concentration of compounds by non-linear regression to a logistic curve.	B	8.05	pIC50	9	nM	IC50	US-10029993-B2. Disubstituted 1, 2, 4-triazine compound (2018)
CYP11B1 in Human [GtoPdb: 1359] [UniProtKB: P15538]
GtoPdb	Measuring inhibition of cortisol generation from 11-deoxycortisol with the mitochondrial fraction of V79 cells stably expressing hCYP11B1	-	6.32	pKi	475	nM	Ki	Clin Transl Sci (2024) 17: e70000 [PMID:39152532]

ChEMBL data shown on this page come from version 36:

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]