Reaction Details Report a problem with these data
Target
Nuclear receptor ROR-gamma
Ligand
BDBM385530
Substrate
n/a
Meas. Tech.
Biological Assay for RORgammaT Activity
IC50
1.000±n/a nM
Citation
Lapointe, BT; Fuller, PH; Gunaydin, H; Liu, K; Scott, ME; Trotter, BW; Zhang, H Substituted indazole compounds as RORgammaT inhibitors and uses thereof US Patent US10689369 Publication Date 6/23/2020
More Info.:
Target
Name:
Nuclear receptor ROR-gamma
Synonyms:
NR1F3 | Nuclear receptor ROR-gamma | Nuclear receptor ROR-gamma (RORC) | Nuclear receptor subfamily 1 group F member 3 | RAR-related orphan receptor C (RORc) | RORC | RORG | RORG_HUMAN | RZRG | Retinoid-related orphan receptor-gamma | Retinoid-related orphan receptor-gamma (RORc)
Type:
Enzyme Catalytic Domain
Mol. Mass.:
58218.40
Organism:
Homo sapiens (Human)
Description:
P51449
Residue:
518
Sequence:
MDRAPQRQHRASRELLAAKKTHTSQIEVIPCKICGDKSSGIHYGVITCEGCKGFFRRSQRCNAAYSCTRQQNCPIDRTSRNRCQHCRLQKCLALGMSRDAVKFGRMSKKQRDSLHAEVQKQLQQRQQQQQEPVVKTPPAGAQGADTLTYTLGLPDGQLPLGSSPDLPEASACPPGLLKASGSGPSYSNNLAKAGLNGASCHLEYSPERGKAEGRESFYSTGSQLTPDRCGLRFEEHRHPGLGELGQGPDSYGSPSFRSTPEAPYASLTEIEHLVQSVCKSYRETCQLRLEDLLRQRSNIFSREEVTGYQRKSMWEMWERCAHHLTEAIQYVVEFAKRLSGFMELCQNDQIVLLKAGAMEVVLVRMCRAYNADNRTVFFEGKYGGMELFRALGCSELISSIFDFSHSLSALHFSEDEIALYTALVLINAHRPGLQEKRKVEQLQYNLELAFHHHLCKTHRQSILAKLPPKGKLRSLCSQHVERLQIFQHLHPIVVQAAFPPLYKELFSTETESPVGLSK
Inhibitor
Name:
BDBM385530
Synonyms:
(1R,2S or 1S,2R)-4- ((S or R)-1-(2-chloro- 6-(1- (trifluoromethyl)cyclo- propyl)benzoyl)-6-(3- methoxyazetidine-1- carbonyl)-4,5,6,7- tetrahydro-1H-indazol- 3-yl)-2- methylcyclohex-3-ene- 1-carboxylic acid | US10287272, Example 17B | US10287272, Example 17C | US10689369, Example 17C
Type:
Small organic molecule
Emp. Form.:
C31H33ClF3N3O5
Mol. Mass.:
620.059
SMILES:
COC1CN(C1)C(=O)C1CCc2c(C1)n(nc2C1=C[C@H](C)[C@@H](CC1)C(O)=O)C(=O)c1c(Cl)cccc1C1(CC1)C(F)(F)F |r,t:20|