Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cyclin-dependent kinase 9' and Ligand = 'BDBM50404386'   

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))	BDBM50404386 (CHEMBL5287796) Show SMILES COCCN(CC(O)=O)C(=O)C(CCCNC(N)=N)NS(=O)(=O)c1cccc2ccccc12 Show InChI InChI=1S/C21H29N5O6S/c1-32-13-12-26(14-19(27)28)20(29)17(9-5-11-24-21(22)23)25-33(30,31)18-10-4-7-15-6-2-3-8-16(15)18/h2-4,6-8,10,17,25H,5,9,11-14H2,1H3,(H,27,28)(H4,22,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description ETA receptor antagonist activity was measured by inhibition of ET-1 induced vasoconstriction in isolated porcine coronary artery				Citation and Details
					More data for this Ligand-Target Pair