BindingDB logo
myBDB logout

null

SMILES: CN(C)C(=O)C(=O)NC12CCC(CC1)Cn1c2nc(C(=O)NCc2ccc(F)cc2)c(O)c1=O

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 1 hit for monomerid = 50559796   
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
Integrase


(Human immunodeficiency virus 1)		BDBM50559796
PNG
(CHEMBL4779601)
Show SMILES CN(C)C(=O)C(=O)NC12CCC(CC1)Cn1c2nc(C(=O)NCc2ccc(F)cc2)c(O)c1=O |(8.88,-35.92,;8.94,-37.46,;7.64,-38.28,;10.3,-38.18,;10.37,-39.71,;11.61,-37.35,;11.54,-35.81,;12.97,-38.07,;14.27,-37.24,;15.33,-38.38,;16.87,-38.26,;17.75,-36.98,;16.12,-37.47,;15.67,-36.2,;17.28,-35.51,;15.84,-34.94,;14.5,-35.71,;13.18,-34.95,;13.18,-33.41,;11.84,-32.65,;11.83,-31.11,;10.51,-33.42,;9.17,-32.65,;7.84,-33.43,;6.51,-32.66,;5.18,-33.43,;5.18,-34.97,;3.85,-35.75,;6.52,-35.74,;7.85,-34.96,;14.5,-32.64,;14.5,-31.1,;15.83,-33.41,;17.17,-32.65,)|
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 17n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmc.2020.115541
BindingDB Entry DOI: 10.7270/Q23R0XKX
More data for this
Ligand-Target Pair