Ki Summary

Reaction Details

Report a problem with these data

Target

Nuclear receptor ROR-gamma

Ligand

BDBM50615657

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_2303286

IC50

1.9±n/a nM

Citation

Pandya, VB; Kumar, S; Sachchidanand, na; Sharma, R; Desai, RC Combating Autoimmune Diseases With Retinoic Acid Receptor-Related Orphan Receptor-? (ROR? or RORc) Inhibitors: Hits and Misses. J Med Chem61:10976-10995 (2018) [PubMed]

More Info.:

Get all data from this article, Assay Method

Nuclear receptor ROR-gamma

Name:

Nuclear receptor ROR-gamma

Synonyms:

Type:

Enzyme Catalytic Domain

Mol. Mass.:

58218.40

Organism:

Homo sapiens (Human)

Description:

P51449

Residue:

518

Sequence:

MDRAPQRQHRASRELLAAKKTHTSQIEVIPCKICGDKSSGIHYGVITCEGCKGFFRRSQR
CNAAYSCTRQQNCPIDRTSRNRCQHCRLQKCLALGMSRDAVKFGRMSKKQRDSLHAEVQK
QLQQRQQQQQEPVVKTPPAGAQGADTLTYTLGLPDGQLPLGSSPDLPEASACPPGLLKAS
GSGPSYSNNLAKAGLNGASCHLEYSPERGKAEGRESFYSTGSQLTPDRCGLRFEEHRHPG
LGELGQGPDSYGSPSFRSTPEAPYASLTEIEHLVQSVCKSYRETCQLRLEDLLRQRSNIF
SREEVTGYQRKSMWEMWERCAHHLTEAIQYVVEFAKRLSGFMELCQNDQIVLLKAGAMEV
VLVRMCRAYNADNRTVFFEGKYGGMELFRALGCSELISSIFDFSHSLSALHFSEDEIALY
TALVLINAHRPGLQEKRKVEQLQYNLELAFHHHLCKTHRQSILAKLPPKGKLRSLCSQHV
ERLQIFQHLHPIVVQAAFPPLYKELFSTETESPVGLSK

BDBM50615657

n/a

Name

BDBM50615657

Synonyms:

CHEMBL4099342

Type

Small organic molecule

Emp. Form.

C28H32FN3O5

Mol. Mass.

509.5692

SMILES

COc1ccc2[C@@H](N(CCc2n1)C(=O)[C@@H]1C[C@H](CC(O)=O)C1)C(=O)Nc1cc2CCC(C)(C)c2c(F)c1 |r,wU:6.24,14.15,16.18,(64.98,-30.47,;63.66,-31.25,;63.67,-32.79,;62.34,-33.58,;62.36,-35.12,;63.7,-35.87,;63.7,-37.41,;65.03,-38.17,;66.35,-37.41,;66.35,-35.87,;65.03,-35.09,;65.01,-33.55,;65.03,-39.71,;63.69,-40.48,;66.36,-40.48,;66.75,-41.97,;68.24,-41.57,;69.58,-42.34,;70.91,-41.57,;72.24,-42.34,;70.91,-40.03,;67.84,-40.08,;62.36,-38.18,;62.36,-39.72,;61.03,-37.41,;59.7,-38.18,;59.7,-39.72,;58.38,-40.49,;58.07,-42,;56.53,-42.18,;55.89,-40.77,;54.55,-41.53,;54.56,-39.99,;57.03,-39.73,;57.03,-38.18,;55.7,-37.41,;58.36,-37.41,)|

Structure