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BDBM333519 1-(5-tert- butylisoxazol- 3-yl)-3-(3- (7-methoixy- 6-(3-(4- (methylsulfonyl) piperazin-1- yl)propoxy) quinazolin-4- ylthio)phenyl) urea::US9730937, Example 60

SMILES: COc1cc2ncnc(Sc3cccc(NC(=O)Nc4cc(on4)C(C)(C)C)c3)c2cc1OCCCN1CCN(CC1)S(C)(=O)=O

InChI Key: InChIKey=YKEJSKATPOOTQN-UHFFFAOYSA-N

Data: 3 Kd

Find this compound or compounds like it in BindingDB or PDB:
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 333519   
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))
BDBM333519
PNG
(1-(5-tert- butylisoxazol- 3-yl)-3-(3- (7-methoixy-...)
Show SMILES COc1cc2ncnc(Sc3cccc(NC(=O)Nc4cc(on4)C(C)(C)C)c3)c2cc1OCCCN1CCN(CC1)S(C)(=O)=O
Show InChI InChI=1S/C31H39N7O6S2/c1-31(2,3)27-19-28(36-44-27)35-30(39)34-21-8-6-9-22(16-21)45-29-23-17-26(25(42-4)18-24(23)32-20-33-29)43-15-7-10-37-11-13-38(14-12-37)46(5,40)41/h6,8-9,16-20H,7,10-15H2,1-5H3,(H2,34,35,36,39)
PDB

GoogleScholar
PC cid
PC sid
UniChem
Article
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)


Article DOI: 10.1021/jm060666p
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM333519
PNG
(1-(5-tert- butylisoxazol- 3-yl)-3-(3- (7-methoixy-...)
Show SMILES COc1cc2ncnc(Sc3cccc(NC(=O)Nc4cc(on4)C(C)(C)C)c3)c2cc1OCCCN1CCN(CC1)S(C)(=O)=O
Show InChI InChI=1S/C31H39N7O6S2/c1-31(2,3)27-19-28(36-44-27)35-30(39)34-21-8-6-9-22(16-21)45-29-23-17-26(25(42-4)18-24(23)32-20-33-29)43-15-7-10-37-11-13-38(14-12-37)46(5,40)41/h6,8-9,16-20H,7,10-15H2,1-5H3,(H2,34,35,36,39)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
Article
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)


Article DOI: 10.1021/jm060666p
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (Human))
BDBM333519
PNG
(1-(5-tert- butylisoxazol- 3-yl)-3-(3- (7-methoixy-...)
Show SMILES COc1cc2ncnc(Sc3cccc(NC(=O)Nc4cc(on4)C(C)(C)C)c3)c2cc1OCCCN1CCN(CC1)S(C)(=O)=O
Show InChI InChI=1S/C31H39N7O6S2/c1-31(2,3)27-19-28(36-44-27)35-30(39)34-21-8-6-9-22(16-21)45-29-23-17-26(25(42-4)18-24(23)32-20-33-29)43-15-7-10-37-11-13-38(14-12-37)46(5,40)41/h6,8-9,16-20H,7,10-15H2,1-5H3,(H2,34,35,36,39)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
Article
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)


Article DOI: 10.1021/jm060666p
More data for this
Ligand-Target Pair