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SMILES: COc1ccccc1-c1cc(ccn1)C(=O)\N=c1/[nH]c2cc(C)ccc2n1[C@@H]1CC[C@H](O)CC1

InChI Key:

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 525472   

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
Epidermal growth factor receptor [695-1022,T790M,C797S,L858R] (Homo sapiens (Human))	BDBM525472 (US11174245, # I-109) Show SMILES COc1ccccc1-c1cc(ccn1)C(=O)\N=c1/[nH]c2cc(C)ccc2n1[C@@H]1CC[C@H](O)CC1 |r,wU:27.30,30.34,(2.42,-1.74,;3.19,-.4,;4.73,-.4,;5.5,-1.74,;7.04,-1.74,;7.81,-.4,;7.04,.93,;5.5,.93,;4.73,2.26,;3.19,2.26,;2.42,3.6,;3.19,4.93,;4.73,4.93,;5.5,3.6,;.88,3.6,;.11,4.93,;.11,2.26,;-1.43,2.26,;-2.34,3.51,;-3.8,3.03,;-5.14,3.8,;-6.47,3.03,;-7.81,3.8,;-6.47,1.49,;-5.14,.72,;-3.8,1.49,;-2.34,1.02,;-1.94,-.47,;-3.03,-1.56,;-2.63,-3.05,;-1.14,-3.44,;-.75,-4.93,;-.06,-2.36,;-.45,-.87,)| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description 5 μL of EGFR enzyme form in assay buffer (50 mM HEPES pH 7.3, 10 mM MgCl2, 1 mM EGTA, 0.01% Tween 20, 2 mM DTT) are dispensed into columns 1-23,...				Citation and Details BindingDB Entry DOI: 10.7270/Q2MP56F9
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [695-1022] (Homo sapiens (Human))	BDBM525472 (US11174245, # I-109) Show SMILES COc1ccccc1-c1cc(ccn1)C(=O)\N=c1/[nH]c2cc(C)ccc2n1[C@@H]1CC[C@H](O)CC1 |r,wU:27.30,30.34,(2.42,-1.74,;3.19,-.4,;4.73,-.4,;5.5,-1.74,;7.04,-1.74,;7.81,-.4,;7.04,.93,;5.5,.93,;4.73,2.26,;3.19,2.26,;2.42,3.6,;3.19,4.93,;4.73,4.93,;5.5,3.6,;.88,3.6,;.11,4.93,;.11,2.26,;-1.43,2.26,;-2.34,3.51,;-3.8,3.03,;-5.14,3.8,;-6.47,3.03,;-7.81,3.8,;-6.47,1.49,;-5.14,.72,;-3.8,1.49,;-2.34,1.02,;-1.94,-.47,;-3.03,-1.56,;-2.63,-3.05,;-1.14,-3.44,;-.75,-4.93,;-.06,-2.36,;-.45,-.87,)| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	549	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description 5 μL of EGFR enzyme form in assay buffer (50 mM HEPES pH 7.3, 10 mM MgCl2, 1 mM EGTA, 0.01% Tween 20, 2 mM DTT) are dispensed into columns 1-23,...				Citation and Details BindingDB Entry DOI: 10.7270/Q2MP56F9
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [695-1022] (Homo sapiens (Human))	BDBM525472 (US11174245, # I-109) Show SMILES COc1ccccc1-c1cc(ccn1)C(=O)\N=c1/[nH]c2cc(C)ccc2n1[C@@H]1CC[C@H](O)CC1 |r,wU:27.30,30.34,(2.42,-1.74,;3.19,-.4,;4.73,-.4,;5.5,-1.74,;7.04,-1.74,;7.81,-.4,;7.04,.93,;5.5,.93,;4.73,2.26,;3.19,2.26,;2.42,3.6,;3.19,4.93,;4.73,4.93,;5.5,3.6,;.88,3.6,;.11,4.93,;.11,2.26,;-1.43,2.26,;-2.34,3.51,;-3.8,3.03,;-5.14,3.8,;-6.47,3.03,;-7.81,3.8,;-6.47,1.49,;-5.14,.72,;-3.8,1.49,;-2.34,1.02,;-1.94,-.47,;-3.03,-1.56,;-2.63,-3.05,;-1.14,-3.44,;-.75,-4.93,;-.06,-2.36,;-.45,-.87,)| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	12.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description 5 μL of EGFR enzyme form in assay buffer (50 mM HEPES pH 7.3, 10 mM MgCl2, 1 mM EGTA, 0.01% Tween 20, 2 mM DTT) are dispensed into columns 1-23,...				Citation and Details BindingDB Entry DOI: 10.7270/Q2MP56F9
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [695-1022,T790M,C797S,L858R] (Homo sapiens (Human))	BDBM525472 (US11174245, # I-109) Show SMILES COc1ccccc1-c1cc(ccn1)C(=O)\N=c1/[nH]c2cc(C)ccc2n1[C@@H]1CC[C@H](O)CC1 |r,wU:27.30,30.34,(2.42,-1.74,;3.19,-.4,;4.73,-.4,;5.5,-1.74,;7.04,-1.74,;7.81,-.4,;7.04,.93,;5.5,.93,;4.73,2.26,;3.19,2.26,;2.42,3.6,;3.19,4.93,;4.73,4.93,;5.5,3.6,;.88,3.6,;.11,4.93,;.11,2.26,;-1.43,2.26,;-2.34,3.51,;-3.8,3.03,;-5.14,3.8,;-6.47,3.03,;-7.81,3.8,;-6.47,1.49,;-5.14,.72,;-3.8,1.49,;-2.34,1.02,;-1.94,-.47,;-3.03,-1.56,;-2.63,-3.05,;-1.14,-3.44,;-.75,-4.93,;-.06,-2.36,;-.45,-.87,)| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description 5 μL of EGFR enzyme form in assay buffer (50 mM HEPES pH 7.3, 10 mM MgCl2, 1 mM EGTA, 0.01% Tween 20, 2 mM DTT) are dispensed into columns 1-23,...				Citation and Details BindingDB Entry DOI: 10.7270/Q2MP56F9
					More data for this Ligand-Target Pair