BindingDB logo
myBDB logout

BDBM329655 US11001583, Compound 11::US9663515, Compound 11

SMILES: CCS(=O)(=O)c1ccc(cc1)[C@H](COC(N)=O)NC(=O)c1cnc2[C@H](C(C)C)N(C[C@H]3CC[C@H](CC3)C(F)(F)F)Cc2c1

InChI Key: InChIKey=UDCQFWKUZOGCPN-CVTGAKCISA-N

Data: 2 KI

Find this compound or compounds like it in BindingDB:
Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 329655   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM329655
PNG
(US11001583, Compound 11 | US9663515, Compound 11)
Show SMILES CCS(=O)(=O)c1ccc(cc1)[C@H](COC(N)=O)NC(=O)c1cnc2[C@H](C(C)C)N(C[C@H]3CC[C@H](CC3)C(F)(F)F)Cc2c1
Show InChI InChI=1S/C30H39F3N4O5S/c1-4-43(40,41)24-11-7-20(8-12-24)25(17-42-29(34)39)36-28(38)21-13-22-16-37(27(18(2)3)26(22)35-14-21)15-19-5-9-23(10-6-19)30(31,32)33/h7-8,11-14,18-19,23,25,27H,4-6,9-10,15-17H2,1-3H3,(H2,34,39)(H,36,38)/t19-,23+,25-,27-/m0/s1
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
<100n/an/an/an/an/an/an/an/a



Vitae Pharmaceuticals, LLC

US Patent


Assay Description
Compounds of the present invention were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-li...


US Patent US11001583 (2021)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM329655
PNG
(US11001583, Compound 11 | US9663515, Compound 11)
Show SMILES CCS(=O)(=O)c1ccc(cc1)[C@H](COC(N)=O)NC(=O)c1cnc2[C@H](C(C)C)N(C[C@H]3CC[C@H](CC3)C(F)(F)F)Cc2c1
Show InChI InChI=1S/C30H39F3N4O5S/c1-4-43(40,41)24-11-7-20(8-12-24)25(17-42-29(34)39)36-28(38)21-13-22-16-37(27(18(2)3)26(22)35-14-21)15-19-5-9-23(10-6-19)30(31,32)33/h7-8,11-14,18-19,23,25,27H,4-6,9-10,15-17H2,1-3H3,(H2,34,39)(H,36,38)/t19-,23+,25-,27-/m0/s1
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
<100n/an/an/an/an/an/an/an/a



Vitae Pharmaceuticals Inc

US Patent


Assay Description
Compounds of the present invention were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-li...


US Patent US9663515 (2017)


BindingDB Entry DOI: 10.7270/Q21N837W
More data for this
Ligand-Target Pair