BDBM333685 1-(5- cyclopentyl- isoxazol- 3- yl)-3-(3-(6- methoxy-7-(2- methoxyethoxy) quinazolin-4- ylthio)phenyl) urea::US9730937, Example 235

SMILES: COCCOc1cc2ncnc(Sc3cccc(NC(=O)Nc4cc(on4)C4CCCC4)c3)c2cc1OC

InChI Key: InChIKey=AZDYBFRRPZLUFR-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 = 333685   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
B-RAF V600E (Homo sapiens (Human))	BDBM333685 (1-(5- cyclopentyl- isoxazol- 3- yl)-3-(3-(6- metho...) Show SMILES COCCOc1cc2ncnc(Sc3cccc(NC(=O)Nc4cc(on4)C4CCCC4)c3)c2cc1OC Show InChI InChI=1S/C27H29N5O5S/c1-34-10-11-36-24-14-21-20(13-23(24)35-2)26(29-16-28-21)38-19-9-5-8-18(12-19)30-27(33)31-25-15-22(37-32-25)17-6-3-4-7-17/h5,8-9,12-17H,3-4,6-7,10-11H2,1-2H3,(H2,30,31,32,33)	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	<250	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2M32XVC
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM333685 (1-(5- cyclopentyl- isoxazol- 3- yl)-3-(3-(6- metho...) Show SMILES COCCOc1cc2ncnc(Sc3cccc(NC(=O)Nc4cc(on4)C4CCCC4)c3)c2cc1OC Show InChI InChI=1S/C27H29N5O5S/c1-34-10-11-36-24-14-21-20(13-23(24)35-2)26(29-16-28-21)38-19-9-5-8-18(12-19)30-27(33)31-25-15-22(37-32-25)17-6-3-4-7-17/h5,8-9,12-17H,3-4,6-7,10-11H2,1-2H3,(H2,30,31,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	<250	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2M32XVC
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM333685 (1-(5- cyclopentyl- isoxazol- 3- yl)-3-(3-(6- metho...) Show SMILES COCCOc1cc2ncnc(Sc3cccc(NC(=O)Nc4cc(on4)C4CCCC4)c3)c2cc1OC Show InChI InChI=1S/C27H29N5O5S/c1-34-10-11-36-24-14-21-20(13-23(24)35-2)26(29-16-28-21)38-19-9-5-8-18(12-19)30-27(33)31-25-15-22(37-32-25)17-6-3-4-7-17/h5,8-9,12-17H,3-4,6-7,10-11H2,1-2H3,(H2,30,31,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	375	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2M32XVC
					More data for this Ligand-Target Pair