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SMILES: O[C@@H](C(=O)N1CCC(CC1)Nc1ccc2[nH]ncc2c1)c1ccccc1

InChI Key: InChIKey=AEBNQBMNALVGPB-LJQANCHMSA-N

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50208337   
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))
BDBM50208337
PNG
((R)-1-(4-(1H-indazol-5-ylamino)piperidin-1-yl)-2-h...)
Show SMILES O[C@@H](C(=O)N1CCC(CC1)Nc1ccc2[nH]ncc2c1)c1ccccc1
Show InChI InChI=1S/C20H22N4O2/c25-19(14-4-2-1-3-5-14)20(26)24-10-8-16(9-11-24)22-17-6-7-18-15(12-17)13-21-23-18/h1-7,12-13,16,19,22,25H,8-11H2,(H,21,23)/t19-/m1/s1
PDB
MMDB

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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 1.00E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4


Bioorg Med Chem Lett 17: 2355-60 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.043
BindingDB Entry DOI: 10.7270/Q2348K2W
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50208337
PNG
((R)-1-(4-(1H-indazol-5-ylamino)piperidin-1-yl)-2-h...)
Show SMILES O[C@@H](C(=O)N1CCC(CC1)Nc1ccc2[nH]ncc2c1)c1ccccc1
Show InChI InChI=1S/C20H22N4O2/c25-19(14-4-2-1-3-5-14)20(26)24-10-8-16(9-11-24)22-17-6-7-18-15(12-17)13-21-23-18/h1-7,12-13,16,19,22,25H,8-11H2,(H,21,23)/t19-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 770n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ROCK2


Bioorg Med Chem Lett 17: 2355-60 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.043
BindingDB Entry DOI: 10.7270/Q2348K2W
More data for this
Ligand-Target Pair