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BDBM197024 US9206164, 88::US9206164, 98

SMILES: CCc1nn(Cc2ccc(cc2F)-c2nc3cc(ccc3[nH]2)C(C)(C)C)c(CC)c1CC(O)=O

InChI Key: InChIKey=SSLQJTWGTXGRCI-UHFFFAOYSA-N

Data: 2 KI

Find this compound or compounds like it in BindingDB or PDB:
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 197024   
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
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM197024
PNG
(US9206164, 88 | US9206164, 98)
Show SMILES CCc1nn(Cc2ccc(cc2F)-c2nc3cc(ccc3[nH]2)C(C)(C)C)c(CC)c1CC(O)=O
Show InChI InChI=1S/C27H31FN4O2/c1-6-21-19(14-25(33)34)24(7-2)32(31-21)15-17-9-8-16(12-20(17)28)26-29-22-11-10-18(27(3,4)5)13-23(22)30-26/h8-13H,6-7,14-15H2,1-5H3,(H,29,30)(H,33,34)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.100n/an/an/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The CRTH2 receptor binding assay is performed in a scintillation proximity assay (SPA) format with the radioligand [3H]-PGD2 (Perkin Elmer, NET616000...


Citation and Details
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM197024
PNG
(US9206164, 88 | US9206164, 98)
Show SMILES CCc1nn(Cc2ccc(cc2F)-c2nc3cc(ccc3[nH]2)C(C)(C)C)c(CC)c1CC(O)=O
Show InChI InChI=1S/C27H31FN4O2/c1-6-21-19(14-25(33)34)24(7-2)32(31-21)15-17-9-8-16(12-20(17)28)26-29-22-11-10-18(27(3,4)5)13-23(22)30-26/h8-13H,6-7,14-15H2,1-5H3,(H,29,30)(H,33,34)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
1.40n/an/an/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The CRTH2 receptor binding assay is performed in a scintillation proximity assay (SPA) format with the radioligand [3H]-PGD2 (Perkin Elmer, NET616000...


Citation and Details
More data for this
Ligand-Target Pair