BindingDB logo
myBDB logout

BDBM352196 3-{4-[5-Amino-4-(6- morpholin-4-ylmethyl-1H- indole-2-carbonyl)-pyrazol- 1-yl]-3-chloro-phenoxy}- benzonitrile::US9802920, Compound I-20

SMILES: NCc1cccc(Oc2ccc(c(Cl)c2)-n2ncc(C(=O)c3cc4ccc(CN5CCOCC5)cc4[nH]3)c2N)c1

InChI Key: InChIKey=XLSVPGNFNKEVJA-UHFFFAOYSA-N

Data: 1 IC50

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 = 352196   
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
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM352196
PNG
(3-{4-[5-Amino-4-(6- morpholin-4-ylmethyl-1H- indol...)
Show SMILES NCc1cccc(Oc2ccc(c(Cl)c2)-n2ncc(C(=O)c3cc4ccc(CN5CCOCC5)cc4[nH]3)c2N)c1
Show InChI InChI=1S/C30H29ClN6O3/c31-25-15-23(40-22-3-1-2-19(12-22)16-32)6-7-28(25)37-30(33)24(17-34-37)29(38)27-14-21-5-4-20(13-26(21)35-27)18-36-8-10-39-11-9-36/h1-7,12-15,17,35H,8-11,16,18,32-33H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1n/an/an/an/an/an/a



Hoffman-La Roche Inc.; Chugai Pharamceutical Co.

US Patent


Assay Description
This BTK competition assay measures compound potency (IC50) for the inactivated state of Bruton's Tyrosine Kinase using FRET (Förster/Flouresence...


US Patent US9802920 (2017)


BindingDB Entry DOI: 10.7270/Q29G5PXH
More data for this
Ligand-Target Pair