new BindingDB logo
myBDB logout

BDBM189891 US10227346, Example 18::US9670201, 18 3-cyano-N-(3-(1-(2-cyclobutylacetyl)piperidin-4-yl)-1-methyl-4-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide::US9920054, Example 18

SMILES: Cn1cc(C2CCN(CC2)C(=O)CC2CCC2)c2c(c(NC(=O)c3cccc(c3)C#N)cnc12)C(F)(F)F

InChI Key: InChIKey=VPTHKDCZIPXHDI-UHFFFAOYSA-N

Data: 3 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 189891   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM189891
PNG
(US10227346, Example 18 | US9670201, 18 3-cyano-N-(...)
Show SMILES Cn1cc(C2CCN(CC2)C(=O)CC2CCC2)c2c(c(NC(=O)c3cccc(c3)C#N)cnc12)C(F)(F)F
Show InChI InChI=1S/C28H28F3N5O2/c1-35-16-21(19-8-10-36(11-9-19)23(37)13-17-4-2-5-17)24-25(28(29,30)31)22(15-33-26(24)35)34-27(38)20-7-3-6-18(12-20)14-32/h3,6-7,12,15-17,19H,2,4-5,8-11,13H2,1H3,(H,34,38)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3.80n/an/an/an/a7.525



Pfizer Inc.

US Patent


Assay Description
Specifically, in one embodiment the aforementioned assay was performed as outlined below. The assay was carried out in black polystyrene, 384-well pl...


US Patent US9670201 (2017)


BindingDB Entry DOI: 10.7270/Q28G8HWT
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM189891
PNG
(US10227346, Example 18 | US9670201, 18 3-cyano-N-(...)
Show SMILES Cn1cc(C2CCN(CC2)C(=O)CC2CCC2)c2c(c(NC(=O)c3cccc(c3)C#N)cnc12)C(F)(F)F
Show InChI InChI=1S/C28H28F3N5O2/c1-35-16-21(19-8-10-36(11-9-19)23(37)13-17-4-2-5-17)24-25(28(29,30)31)22(15-33-26(24)35)34-27(38)20-7-3-6-18(12-20)14-32/h3,6-7,12,15-17,19H,2,4-5,8-11,13H2,1H3,(H,34,38)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
n/an/a 3.80n/an/an/an/an/an/a



Montana State University





J Med Chem 50: 4928-38 (2007)


Article DOI: 10.1021/jm070600+
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM189891
PNG
(US10227346, Example 18 | US9670201, 18 3-cyano-N-(...)
Show SMILES Cn1cc(C2CCN(CC2)C(=O)CC2CCC2)c2c(c(NC(=O)c3cccc(c3)C#N)cnc12)C(F)(F)F
Show InChI InChI=1S/C28H28F3N5O2/c1-35-16-21(19-8-10-36(11-9-19)23(37)13-17-4-2-5-17)24-25(28(29,30)31)22(15-33-26(24)35)34-27(38)20-7-3-6-18(12-20)14-32/h3,6-7,12,15-17,19H,2,4-5,8-11,13H2,1H3,(H,34,38)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
n/an/a 3.80n/an/an/an/an/an/a



Universita di Napoli





J Med Chem 51: 1764-70 (2008)


Article DOI: 10.1021/jm701159t
More data for this
Ligand-Target Pair