null

SMILES: COc1ccc(cc1)-n1nnc2cnc(N[C@H]3CC[C@@H](CC3)C(N)=O)nc12

InChI Key:

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50553815   

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
Mitogen-activated protein kinase 6 (Homo sapiens (Human))	BDBM50553815 (CHEMBL4794701) Show SMILES COc1ccc(cc1)-n1nnc2cnc(N[C@H]3CC[C@@H](CC3)C(N)=O)nc12 |r,wU:19.23,wD:16.16,(44.83,-29.2,;43.32,-29.53,;42.86,-31,;43.9,-32.14,;43.43,-33.6,;41.92,-33.92,;40.89,-32.8,;41.35,-31.33,;41.46,-35.39,;42.37,-36.63,;41.47,-37.88,;40,-37.41,;38.66,-38.19,;37.33,-37.42,;37.33,-35.88,;36,-35.11,;36,-33.57,;37.33,-32.8,;37.34,-31.27,;36.01,-30.49,;34.67,-31.26,;34.66,-32.81,;36.01,-28.96,;37.35,-28.19,;34.68,-28.18,;38.66,-35.11,;39.99,-35.87,)| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	980	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to wild-type human partial length ERK3 (M1 to P413 residues) expressed in bacterial expression system by kinomescan method				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127551 BindingDB Entry DOI: 10.7270/Q2057KKN
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 6 (Homo sapiens (Human))	BDBM50553815 (CHEMBL4794701) Show SMILES COc1ccc(cc1)-n1nnc2cnc(N[C@H]3CC[C@@H](CC3)C(N)=O)nc12 |r,wU:19.23,wD:16.16,(44.83,-29.2,;43.32,-29.53,;42.86,-31,;43.9,-32.14,;43.43,-33.6,;41.92,-33.92,;40.89,-32.8,;41.35,-31.33,;41.46,-35.39,;42.37,-36.63,;41.47,-37.88,;40,-37.41,;38.66,-38.19,;37.33,-37.42,;37.33,-35.88,;36,-35.11,;36,-33.57,;37.33,-32.8,;37.34,-31.27,;36.01,-30.49,;34.67,-31.26,;34.66,-32.81,;36.01,-28.96,;37.35,-28.19,;34.68,-28.18,;38.66,-35.11,;39.99,-35.87,)| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to recombinant wild-type ERK3 (9 to 327 residues) (unknown origin) expressed in Sf21 insect cells by microscale thermophoresis assay				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127551 BindingDB Entry DOI: 10.7270/Q2057KKN
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 6 (Homo sapiens (Human))	BDBM50553815 (CHEMBL4794701) Show SMILES COc1ccc(cc1)-n1nnc2cnc(N[C@H]3CC[C@@H](CC3)C(N)=O)nc12 |r,wU:19.23,wD:16.16,(44.83,-29.2,;43.32,-29.53,;42.86,-31,;43.9,-32.14,;43.43,-33.6,;41.92,-33.92,;40.89,-32.8,;41.35,-31.33,;41.46,-35.39,;42.37,-36.63,;41.47,-37.88,;40,-37.41,;38.66,-38.19,;37.33,-37.42,;37.33,-35.88,;36,-35.11,;36,-33.57,;37.33,-32.8,;37.34,-31.27,;36.01,-30.49,;34.67,-31.26,;34.66,-32.81,;36.01,-28.96,;37.35,-28.19,;34.68,-28.18,;38.66,-35.11,;39.99,-35.87,)| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to LPP-dephosphorylated recombinant wild-type ERK3 (9 to 327 residues) (unknown origin) expressed in Escherichia coli by microscale ...				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127551 BindingDB Entry DOI: 10.7270/Q2057KKN
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 6 (Homo sapiens (Human))	BDBM50553815 (CHEMBL4794701) Show SMILES COc1ccc(cc1)-n1nnc2cnc(N[C@H]3CC[C@@H](CC3)C(N)=O)nc12 |r,wU:19.23,wD:16.16,(44.83,-29.2,;43.32,-29.53,;42.86,-31,;43.9,-32.14,;43.43,-33.6,;41.92,-33.92,;40.89,-32.8,;41.35,-31.33,;41.46,-35.39,;42.37,-36.63,;41.47,-37.88,;40,-37.41,;38.66,-38.19,;37.33,-37.42,;37.33,-35.88,;36,-35.11,;36,-33.57,;37.33,-32.8,;37.34,-31.27,;36.01,-30.49,;34.67,-31.26,;34.66,-32.81,;36.01,-28.96,;37.35,-28.19,;34.68,-28.18,;38.66,-35.11,;39.99,-35.87,)| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to recombinant wild-type ERK3 (9 to 327 residues) (unknown origin) expressed in Escherichia coli by microscale thermophoresis assay				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127551 BindingDB Entry DOI: 10.7270/Q2057KKN
					More data for this Ligand-Target Pair