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SMILES: Fc1ccc(-c2cc(no2)C(=O)N[C@H]2CCN(CC3CC3)C[C@@H]2C(=O)NC2(CC2)c2ncccn2)c(F)c1

InChI Key:

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 26 hits for monomerid = 50555343   
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
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM50555343
PNG
(CHEMBL4782111 | US11306078, Example 4.032)
Show SMILES Fc1ccc(-c2cc(no2)C(=O)N[C@H]2CCN(CC3CC3)C[C@@H]2C(=O)NC2(CC2)c2ncccn2)c(F)c1 |r|
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
MCE
PC cid
PC sid
UniChem
0.530n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM50555343
PNG
(CHEMBL4782111 | US11306078, Example 4.032)
Show SMILES Fc1ccc(-c2cc(no2)C(=O)N[C@H]2CCN(CC3CC3)C[C@@H]2C(=O)NC2(CC2)c2ncccn2)c(F)c1 |r|
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
MCE
PC cid
PC sid
UniChem
n/an/a 3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50555343
PNG
(CHEMBL4782111 | US11306078, Example 4.032)
Show SMILES Fc1ccc(-c2cc(no2)C(=O)N[C@H]2CCN(CC3CC3)C[C@@H]2C(=O)NC2(CC2)c2ncccn2)c(F)c1 |r|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
MCE
PC cid
PC sid
UniChem
n/an/a>5.00E+4n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))
BDBM50555343
PNG
(CHEMBL4782111 | US11306078, Example 4.032)
Show SMILES Fc1ccc(-c2cc(no2)C(=O)N[C@H]2CCN(CC3CC3)C[C@@H]2C(=O)NC2(CC2)c2ncccn2)c(F)c1 |r|
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
MCE
PC cid
PC sid
UniChem
n/an/a>5.00E+4n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM50555343
PNG
(CHEMBL4782111 | US11306078, Example 4.032)
Show SMILES Fc1ccc(-c2cc(no2)C(=O)N[C@H]2CCN(CC3CC3)C[C@@H]2C(=O)NC2(CC2)c2ncccn2)c(F)c1 |r|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
MCE
PC cid
PC sid
UniChem
n/an/a>5.00E+4n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM50555343
PNG
(CHEMBL4782111 | US11306078, Example 4.032)
Show SMILES Fc1ccc(-c2cc(no2)C(=O)N[C@H]2CCN(CC3CC3)C[C@@H]2C(=O)NC2(CC2)c2ncccn2)c(F)c1 |r|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
MCE
PC cid
PC sid
UniChem
n/an/a>5.00E+4n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Canis lupus familiaris)
BDBM50555343
PNG
(CHEMBL4782111 | US11306078, Example 4.032)
Show SMILES Fc1ccc(-c2cc(no2)C(=O)N[C@H]2CCN(CC3CC3)C[C@@H]2C(=O)NC2(CC2)c2ncccn2)c(F)c1 |r|
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
MCE
PC cid
PC sid
UniChem
n/an/a 2.30n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Rattus norvegicus)
BDBM50555343
PNG
(CHEMBL4782111 | US11306078, Example 4.032)
Show SMILES Fc1ccc(-c2cc(no2)C(=O)N[C@H]2CCN(CC3CC3)C[C@@H]2C(=O)NC2(CC2)c2ncccn2)c(F)c1 |r|
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
MCE
PC cid
PC sid
UniChem
n/an/a 3.10n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Mus musculus)
BDBM50555343
PNG
(CHEMBL4782111 | US11306078, Example 4.032)
Show SMILES Fc1ccc(-c2cc(no2)C(=O)N[C@H]2CCN(CC3CC3)C[C@@H]2C(=O)NC2(CC2)c2ncccn2)c(F)c1 |r|
UniProtKB/SwissProt

GoogleScholar
AffyNet 
MCE
PC cid
PC sid
UniChem
n/an/a 2.30n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50555343
PNG
(CHEMBL4782111 | US11306078, Example 4.032)
Show SMILES Fc1ccc(-c2cc(no2)C(=O)N[C@H]2CCN(CC3CC3)C[C@@H]2C(=O)NC2(CC2)c2ncccn2)c(F)c1 |r|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
MCE
PC cid
PC sid
UniChem
n/an/a>1.00E+4n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM50555343
PNG
(CHEMBL4782111 | US11306078, Example 4.032)
Show SMILES Fc1ccc(-c2cc(no2)C(=O)N[C@H]2CCN(CC3CC3)C[C@@H]2C(=O)NC2(CC2)c2ncccn2)c(F)c1 |r|
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
MCE
PC cid
PC sid
UniChem
n/an/a 1.80n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM50555343
PNG
(CHEMBL4782111 | US11306078, Example 4.032)
Show SMILES Fc1ccc(-c2cc(no2)C(=O)N[C@H]2CCN(CC3CC3)C[C@@H]2C(=O)NC2(CC2)c2ncccn2)c(F)c1 |r|
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
MCE
PC cid
PC sid
UniChem
n/an/a 1.70n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM50555343
PNG
(CHEMBL4782111 | US11306078, Example 4.032)
Show SMILES Fc1ccc(-c2cc(no2)C(=O)N[C@H]2CCN(CC3CC3)C[C@@H]2C(=O)NC2(CC2)c2ncccn2)c(F)c1 |r|
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
MCE
PC cid
PC sid
UniChem
n/an/a 2n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM50555343
PNG
(CHEMBL4782111 | US11306078, Example 4.032)
Show SMILES Fc1ccc(-c2cc(no2)C(=O)N[C@H]2CCN(CC3CC3)C[C@@H]2C(=O)NC2(CC2)c2ncccn2)c(F)c1 |r|
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
MCE
PC cid
PC sid
UniChem
n/an/a 2.30n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM50555343
PNG
(CHEMBL4782111 | US11306078, Example 4.032)
Show SMILES Fc1ccc(-c2cc(no2)C(=O)N[C@H]2CCN(CC3CC3)C[C@@H]2C(=O)NC2(CC2)c2ncccn2)c(F)c1 |r|
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
MCE
PC cid
PC sid
UniChem
n/an/a 2.80n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM50555343
PNG
(CHEMBL4782111 | US11306078, Example 4.032)
Show SMILES Fc1ccc(-c2cc(no2)C(=O)N[C@H]2CCN(CC3CC3)C[C@@H]2C(=O)NC2(CC2)c2ncccn2)c(F)c1 |r|
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
MCE
PC cid
PC sid
UniChem
n/an/a 2.80n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM50555343
PNG
(CHEMBL4782111 | US11306078, Example 4.032)
Show SMILES Fc1ccc(-c2cc(no2)C(=O)N[C@H]2CCN(CC3CC3)C[C@@H]2C(=O)NC2(CC2)c2ncccn2)c(F)c1 |r|
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
MCE
PC cid
PC sid
UniChem
n/an/a 0.989n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM50555343
PNG
(CHEMBL4782111 | US11306078, Example 4.032)
Show SMILES Fc1ccc(-c2cc(no2)C(=O)N[C@H]2CCN(CC3CC3)C[C@@H]2C(=O)NC2(CC2)c2ncccn2)c(F)c1 |r|
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
MCE
PC cid
PC sid
UniChem
n/an/a 0.985n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM50555343
PNG
(CHEMBL4782111 | US11306078, Example 4.032)
Show SMILES Fc1ccc(-c2cc(no2)C(=O)N[C@H]2CCN(CC3CC3)C[C@@H]2C(=O)NC2(CC2)c2ncccn2)c(F)c1 |r|
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
MCE
PC cid
PC sid
UniChem
n/an/a 0.864n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM50555343
PNG
(CHEMBL4782111 | US11306078, Example 4.032)
Show SMILES Fc1ccc(-c2cc(no2)C(=O)N[C@H]2CCN(CC3CC3)C[C@@H]2C(=O)NC2(CC2)c2ncccn2)c(F)c1 |r|
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
MCE
PC cid
PC sid
UniChem
n/an/a 0.962n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM50555343
PNG
(CHEMBL4782111 | US11306078, Example 4.032)
Show SMILES Fc1ccc(-c2cc(no2)C(=O)N[C@H]2CCN(CC3CC3)C[C@@H]2C(=O)NC2(CC2)c2ncccn2)c(F)c1 |r|
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
MCE
PC cid
PC sid
UniChem
n/an/a 0.903n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM50555343
PNG
(CHEMBL4782111 | US11306078, Example 4.032)
Show SMILES Fc1ccc(-c2cc(no2)C(=O)N[C@H]2CCN(CC3CC3)C[C@@H]2C(=O)NC2(CC2)c2ncccn2)c(F)c1 |r|
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
MCE
PC cid
PC sid
UniChem
n/an/a 0.900n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM50555343
PNG
(CHEMBL4782111 | US11306078, Example 4.032)
Show SMILES Fc1ccc(-c2cc(no2)C(=O)N[C@H]2CCN(CC3CC3)C[C@@H]2C(=O)NC2(CC2)c2ncccn2)c(F)c1 |r|
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
MCE
PC cid
PC sid
UniChem
n/an/a 1.20n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM50555343
PNG
(CHEMBL4782111 | US11306078, Example 4.032)
Show SMILES Fc1ccc(-c2cc(no2)C(=O)N[C@H]2CCN(CC3CC3)C[C@@H]2C(=O)NC2(CC2)c2ncccn2)c(F)c1 |r|
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
MCE
PC cid
PC sid
UniChem
n/an/a 3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM50555343
PNG
(CHEMBL4782111 | US11306078, Example 4.032)
Show SMILES Fc1ccc(-c2cc(no2)C(=O)N[C@H]2CCN(CC3CC3)C[C@@H]2C(=O)NC2(CC2)c2ncccn2)c(F)c1 |r|
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
MCE
PC cid
PC sid
UniChem
n/an/a 3.20n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GSC2


(Saccharomyces cerevisiae)
BDBM50555343
PNG
(CHEMBL4782111 | US11306078, Example 4.032)
Show SMILES Fc1ccc(-c2cc(no2)C(=O)N[C@H]2CCN(CC3CC3)C[C@@H]2C(=O)NC2(CC2)c2ncccn2)c(F)c1 |r|
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
MCE
PC cid
PC sid
UniChem
n/an/a 5.70E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair