BDBM50124398 CHEMBL3623436

SMILES: C[C@H](Nc1ncc(s1)-c1ccncc1-c1ccccc1Cl)c1ccccc1

InChI Key: InChIKey=NRTSUYQKYOSMLS-HNNXBMFYSA-N

Data: 2 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 2 hits for monomerid = 50124398   

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 1 (Homo sapiens (Human))	BDBM50124398 (CHEMBL3623436) Show SMILES C[C@H](Nc1ncc(s1)-c1ccncc1-c1ccccc1Cl)c1ccccc1 |r| Show InChI InChI=1S/C22H18ClN3S/c1-15(16-7-3-2-4-8-16)26-22-25-14-21(27-22)18-11-12-24-13-19(18)17-9-5-6-10-20(17)23/h2-15H,1H3,(H,25,26)/t15-/m0/s1	PDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	9.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Cancer Research Technology Curated by ChEMBL					Assay Description Inhibition of LIMK1 in human ZR75-1 cells assessed as inhibition of cofilin phosphorylation after 5 hrs				J Med Chem 58: 8309-13 (2015) BindingDB Entry DOI: 10.7270/Q27P917N
					More data for this Ligand-Target Pair
LIM domain kinase 1 (Homo sapiens (Human))	BDBM50124398 (CHEMBL3623436) Show SMILES C[C@H](Nc1ncc(s1)-c1ccncc1-c1ccccc1Cl)c1ccccc1 |r| Show InChI InChI=1S/C22H18ClN3S/c1-15(16-7-3-2-4-8-16)26-22-25-14-21(27-22)18-11-12-24-13-19(18)17-9-5-6-10-20(17)23/h2-15H,1H3,(H,25,26)/t15-/m0/s1	PDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Cancer Research Technology Curated by ChEMBL					Assay Description Inhibition of recombinant N-terminal 6His-tagged LIMK1 (unknown origin) expressed in Sf21 cells by HTRF assay using cofilin as a substrate				J Med Chem 58: 8309-13 (2015) BindingDB Entry DOI: 10.7270/Q27P917N
					More data for this Ligand-Target Pair