null

SMILES: CO[C@@]1(CC[C@](O)(CC1)c1cc(C)cc(Nc2cc(C)[nH]n2)n1)C(=O)N[C@@H](C)c1ccc(nc1)-n1cc(F)cn1

InChI Key:

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 435015   

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
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM435015 (US10584114, Compound 138 | US11279688, Compound 13...) Show SMILES CO[C@@]1(CC[C@](O)(CC1)c1cc(C)cc(Nc2cc(C)[nH]n2)n1)C(=O)N[C@@H](C)c1ccc(nc1)-n1cc(F)cn1 |r,wU:2.1,26.29,5.5,wD:2.25,(1.11,-1.56,;1.11,-.02,;-.22,.75,;-.99,2.08,;-2.53,2.08,;-3.3,.75,;-4.07,-.59,;-2.53,-.59,;-.99,-.59,;-4.84,.75,;-5.61,2.08,;-7.15,2.08,;-7.92,3.41,;-7.92,.75,;-7.15,-.59,;-7.92,-1.92,;-9.46,-1.92,;-10.37,-.67,;-11.83,-1.15,;-13.08,-.24,;-11.83,-2.69,;-10.37,-3.17,;-5.61,-.59,;1.11,1.52,;1.11,3.06,;2.44,.75,;3.78,1.52,;3.78,3.06,;5.11,.75,;6.44,1.52,;7.78,.75,;7.78,-.79,;6.44,-1.56,;5.11,-.79,;9.11,-1.56,;10.52,-.94,;11.55,-2.08,;13.08,-1.92,;10.78,-3.41,;9.27,-3.09,)| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<500	n/a	n/a	n/a	n/a	n/a	n/a
BLUEPRINT MEDICINES CORPORATION US Patent					Assay Description In each well of a 384-well plate, 7.5 nM-10 nM of wild type RET (ProQinase 1090-0000-1) was incubated in a total of 12.5 μL of buffer (100 mM HE...				US Patent US10584114 (2020) BindingDB Entry DOI: 10.7270/Q27083V8
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret [V804L] (Homo sapiens (Human))	BDBM435015 (US10584114, Compound 138 | US11279688, Compound 13...) Show SMILES CO[C@@]1(CC[C@](O)(CC1)c1cc(C)cc(Nc2cc(C)[nH]n2)n1)C(=O)N[C@@H](C)c1ccc(nc1)-n1cc(F)cn1 |r,wU:2.1,26.29,5.5,wD:2.25,(1.11,-1.56,;1.11,-.02,;-.22,.75,;-.99,2.08,;-2.53,2.08,;-3.3,.75,;-4.07,-.59,;-2.53,-.59,;-.99,-.59,;-4.84,.75,;-5.61,2.08,;-7.15,2.08,;-7.92,3.41,;-7.92,.75,;-7.15,-.59,;-7.92,-1.92,;-9.46,-1.92,;-10.37,-.67,;-11.83,-1.15,;-13.08,-.24,;-11.83,-2.69,;-10.37,-3.17,;-5.61,-.59,;1.11,1.52,;1.11,3.06,;2.44,.75,;3.78,1.52,;3.78,3.06,;5.11,.75,;6.44,1.52,;7.78,.75,;7.78,-.79,;6.44,-1.56,;5.11,-.79,;9.11,-1.56,;10.52,-.94,;11.55,-2.08,;13.08,-1.92,;10.78,-3.41,;9.27,-3.09,)| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM435015 (US10584114, Compound 138 | US11279688, Compound 13...) Show SMILES CO[C@@]1(CC[C@](O)(CC1)c1cc(C)cc(Nc2cc(C)[nH]n2)n1)C(=O)N[C@@H](C)c1ccc(nc1)-n1cc(F)cn1 |r,wU:2.1,26.29,5.5,wD:2.25,(1.11,-1.56,;1.11,-.02,;-.22,.75,;-.99,2.08,;-2.53,2.08,;-3.3,.75,;-4.07,-.59,;-2.53,-.59,;-.99,-.59,;-4.84,.75,;-5.61,2.08,;-7.15,2.08,;-7.92,3.41,;-7.92,.75,;-7.15,-.59,;-7.92,-1.92,;-9.46,-1.92,;-10.37,-.67,;-11.83,-1.15,;-13.08,-.24,;-11.83,-2.69,;-10.37,-3.17,;-5.61,-.59,;1.11,1.52,;1.11,3.06,;2.44,.75,;3.78,1.52,;3.78,3.06,;5.11,.75,;6.44,1.52,;7.78,.75,;7.78,-.79,;6.44,-1.56,;5.11,-.79,;9.11,-1.56,;10.52,-.94,;11.55,-2.08,;13.08,-1.92,;10.78,-3.41,;9.27,-3.09,)| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret [V804L] (Homo sapiens (Human))	BDBM435015 (US10584114, Compound 138 | US11279688, Compound 13...) Show SMILES CO[C@@]1(CC[C@](O)(CC1)c1cc(C)cc(Nc2cc(C)[nH]n2)n1)C(=O)N[C@@H](C)c1ccc(nc1)-n1cc(F)cn1 |r,wU:2.1,26.29,5.5,wD:2.25,(1.11,-1.56,;1.11,-.02,;-.22,.75,;-.99,2.08,;-2.53,2.08,;-3.3,.75,;-4.07,-.59,;-2.53,-.59,;-.99,-.59,;-4.84,.75,;-5.61,2.08,;-7.15,2.08,;-7.92,3.41,;-7.92,.75,;-7.15,-.59,;-7.92,-1.92,;-9.46,-1.92,;-10.37,-.67,;-11.83,-1.15,;-13.08,-.24,;-11.83,-2.69,;-10.37,-3.17,;-5.61,-.59,;1.11,1.52,;1.11,3.06,;2.44,.75,;3.78,1.52,;3.78,3.06,;5.11,.75,;6.44,1.52,;7.78,.75,;7.78,-.79,;6.44,-1.56,;5.11,-.79,;9.11,-1.56,;10.52,-.94,;11.55,-2.08,;13.08,-1.92,;10.78,-3.41,;9.27,-3.09,)| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<500	n/a	n/a	n/a	n/a	n/a	n/a
BLUEPRINT MEDICINES CORPORATION US Patent					Assay Description In each well of a 384-well plate, 7.5 nM-10 nM of mutant RET (ProQinase 1096-0000-1) was incubated in a total of 12.5 μL of buffer (100 mM HEPES...				US Patent US10584114 (2020) BindingDB Entry DOI: 10.7270/Q27083V8
					More data for this Ligand-Target Pair