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BDBM112247 US8623889, 245

SMILES: O[C@@H]1CCCCC1Oc1ccc2cc(NC(=O)C3CC3)ncc2c1

InChI Key: InChIKey=AJMMLIAKOKIMHO-NGOHOURFNA-N

Data: 2 KI

Find this compound or compounds like it in BindingDB or PDB:
   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 = 112247   
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 ABL1


(Homo sapiens (Human))
BDBM112247
PNG
(US8623889, 245)
Show SMILES O[C@@H]1CCCCC1Oc1ccc2cc(NC(=O)C3CC3)ncc2c1
Show InChI InChI=1/C19H22N2O3/c22-16-3-1-2-4-17(16)24-15-8-7-13-10-18(20-11-14(13)9-15)21-19(23)12-5-6-12/h7-12,16-17,22H,1-6H2,(H,20,21,23)/t16-,17?/s2
PDB
MMDB

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UniProtKB/TrEMBL

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PC cid
PC sid
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Similars

US Patent
9n/an/an/an/an/an/an/an/a



Genentech Inc

US Patent


Assay Description
Using the following procedure, varying concentration of compounds of the invention were assessed for their ability to inhibit c-Abl enzyme's phos...


US Patent US8623889 (2014)


BindingDB Entry DOI: 10.7270/Q2JQ0ZNX
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM112247
PNG
(US8623889, 245)
Show SMILES O[C@@H]1CCCCC1Oc1ccc2cc(NC(=O)C3CC3)ncc2c1
Show InChI InChI=1/C19H22N2O3/c22-16-3-1-2-4-17(16)24-15-8-7-13-10-18(20-11-14(13)9-15)21-19(23)12-5-6-12/h7-12,16-17,22H,1-6H2,(H,20,21,23)/t16-,17?/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
42n/an/an/an/an/an/an/an/a



Genentech Inc

US Patent


Assay Description
Using the following procedure, varying concentration of compounds of the invention were assessed for their ability to inhibit c-Abl enzyme's phos...


US Patent US8623889 (2014)


BindingDB Entry DOI: 10.7270/Q2JQ0ZNX
More data for this
Ligand-Target Pair