BDBM50299621 (S)-N-(3-(1,3-dihydroxypropan-2-ylcarbamoyl)phenyl)-2-methyl-4-(5-methyl-7Hpyrrolo[2,3-d]pyrimidin-4-yl)piperazine-1-carboxamide::CHEMBL578615

SMILES: C[C@H]1CN(CCN1C(=O)Nc1cccc(c1)C(=O)NC(CO)CO)c1ncnc2[nH]cc(C)c12

InChI Key: InChIKey=KJFJUZUMQQERFW-HNNXBMFYSA-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 = 50299621   

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))	BDBM50299621 ((S)-N-(3-(1,3-dihydroxypropan-2-ylcarbamoyl)phenyl...) Show SMILES C[C@H]1CN(CCN1C(=O)Nc1cccc(c1)C(=O)NC(CO)CO)c1ncnc2[nH]cc(C)c12 |r| Show InChI InChI=1S/C23H29N7O4/c1-14-9-24-20-19(14)21(26-13-25-20)29-6-7-30(15(2)10-29)23(34)28-17-5-3-4-16(8-17)22(33)27-18(11-31)12-32/h3-5,8-9,13,15,18,31-32H,6-7,10-12H2,1-2H3,(H,27,33)(H,28,34)(H,24,25,26)/t15-/m0/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	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