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BDBM333556 1-(3-tert- Butylisoxazol- 5-yl)-3-(3- (6-methoxy- 7-(piperidin- 4-ylmethoxy) quinazolin-4- yloxy)phenyl) urea::US9730937, Example 101

SMILES: COc1cc2c(Oc3cccc(NC(=O)Nc4cc(on4)C(C)(C)C)c3)ncnc2cc1OCC1CCNCC1

InChI Key: InChIKey=AMJXJJKOMZKTSK-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 = 333556   
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))
BDBM333556
PNG
(1-(3-tert- Butylisoxazol- 5-yl)-3-(3- (6-methoxy- ...)
Show SMILES COc1cc2c(Oc3cccc(NC(=O)Nc4cc(on4)C(C)(C)C)c3)ncnc2cc1OCC1CCNCC1
Show InChI InChI=1S/C29H34N6O5/c1-29(2,3)25-15-26(35-40-25)34-28(36)33-19-6-5-7-20(12-19)39-27-21-13-23(37-4)24(14-22(21)31-17-32-27)38-16-18-8-10-30-11-9-18/h5-7,12-15,17-18,30H,8-11,16H2,1-4H3,(H2,33,34,35,36)
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))
BDBM333556
PNG
(1-(3-tert- Butylisoxazol- 5-yl)-3-(3- (6-methoxy- ...)
Show SMILES COc1cc2c(Oc3cccc(NC(=O)Nc4cc(on4)C(C)(C)C)c3)ncnc2cc1OCC1CCNCC1
Show InChI InChI=1S/C29H34N6O5/c1-29(2,3)25-15-26(35-40-25)34-28(36)33-19-6-5-7-20(12-19)39-27-21-13-23(37-4)24(14-22(21)31-17-32-27)38-16-18-8-10-30-11-9-18/h5-7,12-15,17-18,30H,8-11,16H2,1-4H3,(H2,33,34,35,36)
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))
BDBM333556
PNG
(1-(3-tert- Butylisoxazol- 5-yl)-3-(3- (6-methoxy- ...)
Show SMILES COc1cc2c(Oc3cccc(NC(=O)Nc4cc(on4)C(C)(C)C)c3)ncnc2cc1OCC1CCNCC1
Show InChI InChI=1S/C29H34N6O5/c1-29(2,3)25-15-26(35-40-25)34-28(36)33-19-6-5-7-20(12-19)39-27-21-13-23(37-4)24(14-22(21)31-17-32-27)38-16-18-8-10-30-11-9-18/h5-7,12-15,17-18,30H,8-11,16H2,1-4H3,(H2,33,34,35,36)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
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