BDBM50299602 CHEMBL570586::Trans-N-(3-bromophenyl)-N'-cyano-2,5-dimethyl-4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazine-1-carboximidamide

SMILES: C[C@H]1CN([C@H](C)CN1C(NC#N)=Nc1cccc(Br)c1)c1ncnc2[nH]cc(C)c12

InChI Key: InChIKey=LITGTHZJNKGRSE-CABCVRRESA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50299602   

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
LIM domain kinase 2 (Homo sapiens (Human))	BDBM50299602 (CHEMBL570586 | Trans-N-(3-bromophenyl)-N'-cyano-2,...) Show SMILES C[C@H]1CN([C@H](C)CN1C(NC#N)=Nc1cccc(Br)c1)c1ncnc2[nH]cc(C)c12 |r,w:12.13| Show InChI InChI=1S/C21H23BrN8/c1-13-8-24-19-18(13)20(27-12-26-19)29-9-15(3)30(10-14(29)2)21(25-11-23)28-17-6-4-5-16(22)7-17/h4-8,12,14-15H,9-10H2,1-3H3,(H,25,28)(H,24,26,27)/t14-,15+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.90	n/a	n/a	n/a	n/a	n/a	n/a
Princ Curated by ChEMBL					Assay Description Inhibition of human recombinant LIMK2 expressed in baculovirus-Sf9 system by scintillation counting				J Med Chem 52: 6515-8 (2009) Article DOI: 10.1021/jm901226j BindingDB Entry DOI: 10.7270/Q2HH6K4J
					More data for this Ligand-Target Pair