BindingDB logo
myBDB logout

BDBM333548 1-(5-tert- butylisoxazol- 3-yl)-3-{3- [6-(5-{[2- (methylsulfonyl) ethylamino] methyl} furan-2-yl) quinazolin-4- yloxy] phenyl}urea::US9730937, Example 92

SMILES: CC(C)(C)c1cc(NC(=O)Nc2cccc(Oc3ncnc4ccc(cc34)-c3ccc(CNCCS(C)(=O)=O)o3)c2)no1

InChI Key: InChIKey=CPUDQDALOUUVGZ-UHFFFAOYSA-N

Data: 3 Kd

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 3 hits for monomerid = 333548   
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
B-RAF V600E


(Homo sapiens (Human))
BDBM333548
PNG
(1-(5-tert- butylisoxazol- 3-yl)-3-{3- [6-(5-{[2- (...)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2cccc(Oc3ncnc4ccc(cc34)-c3ccc(CNCCS(C)(=O)=O)o3)c2)no1
Show InChI InChI=1S/C30H32N6O6S/c1-30(2,3)26-16-27(36-42-26)35-29(37)34-20-6-5-7-21(15-20)41-28-23-14-19(8-10-24(23)32-18-33-28)25-11-9-22(40-25)17-31-12-13-43(4,38)39/h5-11,14-16,18,31H,12-13,17H2,1-4H3,(H2,34,35,36,37)
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/a<250n/an/an/an/an/a



AMBIT BIOSCIENCES CORPORATION

US Patent


Assay Description
Competition binding assays used herein were developed, validated and performed as described in Fabian et al., Nature Biotechnology 2005, 23, 329-336....


US Patent US9730937 (2017)

More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM333548
PNG
(1-(5-tert- butylisoxazol- 3-yl)-3-{3- [6-(5-{[2- (...)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2cccc(Oc3ncnc4ccc(cc34)-c3ccc(CNCCS(C)(=O)=O)o3)c2)no1
Show InChI InChI=1S/C30H32N6O6S/c1-30(2,3)26-16-27(36-42-26)35-29(37)34-20-6-5-7-21(15-20)41-28-23-14-19(8-10-24(23)32-18-33-28)25-11-9-22(40-25)17-31-12-13-43(4,38)39/h5-11,14-16,18,31H,12-13,17H2,1-4H3,(H2,34,35,36,37)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/a 375n/an/an/an/an/a



AMBIT BIOSCIENCES CORPORATION

US Patent


Assay Description
Competition binding assays used herein were developed, validated and performed as described in Fabian et al., Nature Biotechnology 2005, 23, 329-336....


US Patent US9730937 (2017)

More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (Human))
BDBM333548
PNG
(1-(5-tert- butylisoxazol- 3-yl)-3-{3- [6-(5-{[2- (...)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2cccc(Oc3ncnc4ccc(cc34)-c3ccc(CNCCS(C)(=O)=O)o3)c2)no1
Show InChI InChI=1S/C30H32N6O6S/c1-30(2,3)26-16-27(36-42-26)35-29(37)34-20-6-5-7-21(15-20)41-28-23-14-19(8-10-24(23)32-18-33-28)25-11-9-22(40-25)17-31-12-13-43(4,38)39/h5-11,14-16,18,31H,12-13,17H2,1-4H3,(H2,34,35,36,37)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/a 750n/an/an/an/an/a



AMBIT BIOSCIENCES CORPORATION

US Patent


Assay Description
Competition binding assays used herein were developed, validated and performed as described in Fabian et al., Nature Biotechnology 2005, 23, 329-336....


US Patent US9730937 (2017)

More data for this
Ligand-Target Pair