Reaction Details Report a problem with these data
Target
Nuclear receptor ROR-gamma
Ligand
BDBM332442
Substrate
n/a
Meas. Tech.
Biological Assays
IC50
130±n/a nM
Citation
Barr, KJ; Bienstock, CE; Maclean, JK; Zhang, H; Beresis, RT; Zhang, D; Anthony, NJ; Lapointe, BT; Tian, Y 4-heteroaryl substituted benzoic acid compounds as RORgammaT inhibitors and uses thereof US Patent US10196354 Publication Date 2/5/2019
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:
BDBM332442
Synonyms:
4-(1-(2-chloro-6- (trifluoromethyl) benzoyl)-6- (cyclopropyl- amino)-1H- indazol-3-yl)-3- fluorobenzoic acid | US10196354, Example 4D | US9745265, 4D
Type:
Small organic molecule
Emp. Form.:
C25H16ClF4N3O3
Mol. Mass.:
517.859
SMILES:
OC(=O)c1ccc(-c2nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c3cc(NC4CC4)ccc23)c(F)c1