BDBM50120593 CHEMBL3618299

SMILES: CCC(=O)C1=C(C)N=C2Sc3ccccc3N2C1c1ccc(cc1)N(C)C

InChI Key: InChIKey=OFHCBEVFAYMYJO-UHFFFAOYSA-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 = 50120593   

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
Myosin light chain kinase, smooth muscle (Homo sapiens (Human))	BDBM50120593 (CHEMBL3618299) Show SMILES CCC(=O)C1=C(C)N=C2Sc3ccccc3N2C1c1ccc(cc1)N(C)C |c:4,t:7| Show InChI InChI=1S/C22H23N3OS/c1-5-18(26)20-14(2)23-22-25(17-8-6-7-9-19(17)27-22)21(20)15-10-12-16(13-11-15)24(3)4/h6-13,21H,5H2,1-4H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7.37E+10	n/a	n/a	n/a	n/a	n/a	n/a
Rashtrasant Tukadoji Maharaj Nagpur University Curated by ChEMBL					Assay Description Inhibition of MLCK (unknown origin) incubated for 15 mins using [gamma-32P]-ATP by scintillation counting method				Bioorg Med Chem 23: 6689-713 (2015) BindingDB Entry DOI: 10.7270/Q2P55Q95
					More data for this Ligand-Target Pair
Myosin light chain kinase, smooth muscle (Homo sapiens (Human))	BDBM50120593 (CHEMBL3618299) Show SMILES CCC(=O)C1=C(C)N=C2Sc3ccccc3N2C1c1ccc(cc1)N(C)C |c:4,t:7| Show InChI InChI=1S/C22H23N3OS/c1-5-18(26)20-14(2)23-22-25(17-8-6-7-9-19(17)27-22)21(20)15-10-12-16(13-11-15)24(3)4/h6-13,21H,5H2,1-4H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7.37E+3	n/a	n/a	n/a	n/a	n/a	n/a
Rashtrasant Tukadoji Maharaj Nagpur University Curated by ChEMBL					Assay Description Inhibition of MLCK (unknown origin) incubated for 15 mins using [gamma-32P]-ATP by scintillation counting method				Bioorg Med Chem 23: 6689-713 (2015) BindingDB Entry DOI: 10.7270/Q2P55Q95
					More data for this Ligand-Target Pair