Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 344.3 BDBM50553869

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 3 hits in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Dual specificity mitogen-activated protein kinase kinase 7 (Homo sapiens (Human))	BDBM50553869 (CHEMBL4764965) Show SMILES C=CC(=O)Nc1cc(cc(c1)-c1n[nH]c2ccccc12)C(=O)NCC#C Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02206 BindingDB Entry DOI: 10.7270/Q2765KB8
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dual specificity mitogen-activated protein kinase kinase 7 (Homo sapiens (Human))	BDBM50553869 (CHEMBL4764965) Show SMILES C=CC(=O)Nc1cc(cc(c1)-c1n[nH]c2ccccc12)C(=O)NCC#C Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	6.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of MAP2K7 (unknown origin) using JNK peptide KFMMTPYVVTR incubated for 30 mins measured by multimode reader based ADP-glo assay				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127546 BindingDB Entry DOI: 10.7270/Q2QN6BDG
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dual specificity mitogen-activated protein kinase kinase 7 (Homo sapiens (Human))	BDBM50553869 (CHEMBL4764965) Show SMILES C=CC(=O)Nc1cc(cc(c1)-c1n[nH]c2ccccc12)C(=O)NCC#C Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	n/a	<100	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02206 BindingDB Entry DOI: 10.7270/Q2765KB8
					More data for this Ligand-Target Pair				3D Structure (crystal)