Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 367.4 BDBM50588270

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
Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM50588270 (CHEMBL5173492) Show SMILES COc1cc(F)ccc1-c1ccnc2[nH]c(cc12)C1CCN(CC1)C(C)=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	84	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01249 BindingDB Entry DOI: 10.7270/Q2F193PM
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM50588270 (CHEMBL5173492) Show SMILES COc1cc(F)ccc1-c1ccnc2[nH]c(cc12)C1CCN(CC1)C(C)=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	340	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01249 BindingDB Entry DOI: 10.7270/Q2F193PM
					More data for this Ligand-Target Pair
Caspase-3/Caspase-7 (Homo sapiens (Human))	BDBM50588270 (CHEMBL5173492) Show SMILES COc1cc(F)ccc1-c1ccnc2[nH]c(cc12)C1CCN(CC1)C(C)=O Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	430	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01249 BindingDB Entry DOI: 10.7270/Q2F193PM
					More data for this Ligand-Target Pair