BindingDB logo
myBDB logout

BDBM50407158 CHEMBL2079613

SMILES: O[C@H]([C@H]1CC2CCN1CC2C=C)c1ccnc2ccc(Cl)cc12

InChI Key: InChIKey=AWZHJGVWKOVYJV-JGXKMEKASA-N

Data: 1 KI

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 = 50407158   
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 2D6


(Homo sapiens (Human))		BDBM50407158
PNG
(CHEMBL2079613)
Show SMILES O[C@H]([C@H]1CC2CCN1CC2C=C)c1ccnc2ccc(Cl)cc12 |r,TLB:1:2:8.9:6.5,10:9:2.3:6.5|
Show InChI InChI=1S/C19H21ClN2O/c1-2-12-11-22-8-6-13(12)9-18(22)19(23)15-5-7-21-17-4-3-14(20)10-16(15)17/h2-5,7,10,12-13,18-19,23H,1,6,8-9,11H2/t12?,13?,18-,19+/m1/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 520n/an/an/an/an/an/an/an/a



Institut f£r Toxikologie

Curated by ChEMBL


Assay Description
Inhibitory effect on Bufuralol 1'-hydroxylation by human liver microsomes (Ki = apparent inhibition constant)

J Med Chem 36: 1136-45 (1993)


BindingDB Entry DOI: 10.7270/Q2GM87X6
More data for this
Ligand-Target Pair