Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 463.9 BDBM307837

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

Found 1 hit 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))	BDBM307837 ((3R)-N-{5-chloro-4-[1-(3-fluorobenzyl)-1H-pyrrolo[...) Show SMILES Fc1cccc(Cn2ccc3cnc(cc23)-c2cc(NC(=O)[C@@H]3CCCNC3)ncc2Cl)c1 Show InChI InChI=1S/C25H23ClFN5O/c26-21-14-30-24(31-25(33)18-4-2-7-28-12-18)10-20(21)22-11-23-17(13-29-22)6-8-32(23)15-16-3-1-5-19(27)9-16/h1,3,5-6,8-11,13-14,18,28H,2,4,7,12,15H2,(H,30,31,33)/t18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. US Patent					Assay Description CDK9 enzyme activities were measured using LANCE ULight TR-FRET kinase assay reagents (PerkinElmer, Waltham, Mass.). Compounds were directly added in...				US Patent US9650358 (2017) BindingDB Entry DOI: 10.7270/Q2057J0M
					More data for this Ligand-Target Pair