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SMILES: [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@@H](CC2=CC(=O)CC[C@]12C)\C=C\C=C\C=C\[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@@]2([H])CC[C@]3(C)C(=O)CC[C@@]3([H])[C@]12[H]

InChI Key:

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50576968   
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
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM50576968
PNG
(CHEMBL4871524)
Show SMILES [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@@H](CC2=CC(=O)CC[C@]12C)\C=C\C=C\C=C\[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@@]2([H])CC[C@]3(C)C(=O)CC[C@@]3([H])[C@]12[H] |r,t:18,36|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 3.60E+3n/an/an/an/an/an/a


TBA



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


(Homo sapiens (Human))
BDBM50576968
PNG
(CHEMBL4871524)
Show SMILES [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@@H](CC2=CC(=O)CC[C@]12C)\C=C\C=C\C=C\[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@@]2([H])CC[C@]3(C)C(=O)CC[C@@]3([H])[C@]12[H] |r,t:18,36|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/an/a 1.40E+3n/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair