BDBM87370 US10245267, Example 705::US9694016, 705

SMILES: CCNc1nc(cc(n1)-c1cc(NC(=O)c2ccnc(c2)C(C)(C)O)ccc1C)N1CCOCC1

InChI Key: InChIKey=PIPBCYVCPKJDKP-UHFFFAOYSA-N

Data: 4 IC50

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 4 hits for monomerid = 87370   

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))	BDBM87370 (US10245267, Example 705 | US9694016, 705) Show SMILES CCNc1nc(cc(n1)-c1cc(NC(=O)c2ccnc(c2)C(C)(C)O)ccc1C)N1CCOCC1 Show InChI InChI=1S/C26H32N6O3/c1-5-27-25-30-21(16-23(31-25)32-10-12-35-13-11-32)20-15-19(7-6-17(20)2)29-24(33)18-8-9-28-22(14-18)26(3,4)34/h6-9,14-16,34H,5,10-13H2,1-4H3,(H,29,33)(H,27,30,31)	PDB GoogleScholar	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	4.10	n/a	n/a	n/a	n/a	7.5	25
Novartis AG US Patent					Assay Description Raf and biotinylated Mek, kinase dead, were combined at 2x final concentrations in assay buffer (50 mM Tris, pH 7.5, 15 mM MgCl2, 0.01% BSA and 1 mM ...				US Patent US9694016 (2017) BindingDB Entry DOI: 10.7270/Q2MC8X6W
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM87370 (US10245267, Example 705 | US9694016, 705) Show SMILES CCNc1nc(cc(n1)-c1cc(NC(=O)c2ccnc(c2)C(C)(C)O)ccc1C)N1CCOCC1 Show InChI InChI=1S/C26H32N6O3/c1-5-27-25-30-21(16-23(31-25)32-10-12-35-13-11-32)20-15-19(7-6-17(20)2)29-24(33)18-8-9-28-22(14-18)26(3,4)34/h6-9,14-16,34H,5,10-13H2,1-4H3,(H,29,33)(H,27,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Raf and biotinylated Mek, kinase dead, were combined at 2× final concentrations in assay buffer (50 mM Tris, pH 7.5, 15 mM MgCl2, 0.01% BSA and 1 mM ...				US Patent US10245267 (2019) BindingDB Entry DOI: 10.7270/Q2RB76WP
					More data for this Ligand-Target Pair
B-RAF V600E (Homo sapiens (Human))	BDBM87370 (US10245267, Example 705 | US9694016, 705) Show SMILES CCNc1nc(cc(n1)-c1cc(NC(=O)c2ccnc(c2)C(C)(C)O)ccc1C)N1CCOCC1 Show InChI InChI=1S/C26H32N6O3/c1-5-27-25-30-21(16-23(31-25)32-10-12-35-13-11-32)20-15-19(7-6-17(20)2)29-24(33)18-8-9-28-22(14-18)26(3,4)34/h6-9,14-16,34H,5,10-13H2,1-4H3,(H,29,33)(H,27,30,31)	PDB GoogleScholar	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	4.10	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Raf and biotinylated Mek, kinase dead, were combined at 2× final concentrations in assay buffer (50 mM Tris, pH 7.5, 15 mM MgCl2, 0.01% BSA and 1 mM ...				US Patent US10245267 (2019) BindingDB Entry DOI: 10.7270/Q2RB76WP
					More data for this Ligand-Target Pair
C-RAF (Homo sapiens (Human))	BDBM87370 (US10245267, Example 705 | US9694016, 705) Show SMILES CCNc1nc(cc(n1)-c1cc(NC(=O)c2ccnc(c2)C(C)(C)O)ccc1C)N1CCOCC1 Show InChI InChI=1S/C26H32N6O3/c1-5-27-25-30-21(16-23(31-25)32-10-12-35-13-11-32)20-15-19(7-6-17(20)2)29-24(33)18-8-9-28-22(14-18)26(3,4)34/h6-9,14-16,34H,5,10-13H2,1-4H3,(H,29,33)(H,27,30,31)	PDB GoogleScholar	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.40	n/a	n/a	n/a	n/a	7.5	25
Novartis AG US Patent					Assay Description Raf and biotinylated Mek, kinase dead, were combined at 2x final concentrations in assay buffer (50 mM Tris, pH 7.5, 15 mM MgCl2, 0.01% BSA and 1 mM ...				US Patent US9694016 (2017) BindingDB Entry DOI: 10.7270/Q2MC8X6W
					More data for this Ligand-Target Pair