BDBM50216683 1-(5-iodonaphthalen-1-ylsulfonyl)-1,4-diazepane::CHEMBL249089

SMILES: Ic1cccc2c(cccc12)S(=O)(=O)N1CCCNCC1

InChI Key: InChIKey=GEHJIACZUFWBTK-UHFFFAOYSA-N

Data: 1 KI  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 3 hits for monomerid = 50216683   

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))	BDBM50216683 (1-(5-iodonaphthalen-1-ylsulfonyl)-1,4-diazepane | ...) Show SMILES Ic1cccc2c(cccc12)S(=O)(=O)N1CCCNCC1 Show InChI InChI=1S/C15H17IN2O2S/c16-14-6-1-5-13-12(14)4-2-7-15(13)21(19,20)18-10-3-8-17-9-11-18/h1-2,4-7,17H,3,8-11H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chemical Genomics Centre of the Max Planck Society Curated by ChEMBL					Assay Description Inhibition of MLCK by HTRF assay				Bioorg Med Chem 19: 429-39 (2011) Article DOI: 10.1016/j.bmc.2010.11.007 BindingDB Entry DOI: 10.7270/Q22F7NQN
					More data for this Ligand-Target Pair
Protein kinase Pfmrk (Plasmodium falciparum)	BDBM50216683 (1-(5-iodonaphthalen-1-ylsulfonyl)-1,4-diazepane | ...) Show SMILES Ic1cccc2c(cccc12)S(=O)(=O)N1CCCNCC1 Show InChI InChI=1S/C15H17IN2O2S/c16-14-6-1-5-13-12(14)4-2-7-15(13)21(19,20)18-10-3-8-17-9-11-18/h1-2,4-7,17H,3,8-11H2	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	>5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Research Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum Pfmrk				Bioorg Med Chem Lett 17: 4961-6 (2007) Article DOI: 10.1016/j.bmcl.2007.06.032 BindingDB Entry DOI: 10.7270/Q2GX4CC8
					More data for this Ligand-Target Pair
Rho-associated protein kinase 1 (Homo sapiens (Human))	BDBM50216683 (1-(5-iodonaphthalen-1-ylsulfonyl)-1,4-diazepane | ...) Show SMILES Ic1cccc2c(cccc12)S(=O)(=O)N1CCCNCC1 Show InChI InChI=1S/C15H17IN2O2S/c16-14-6-1-5-13-12(14)4-2-7-15(13)21(19,20)18-10-3-8-17-9-11-18/h1-2,4-7,17H,3,8-11H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	3.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Kalypsys, Inc. Curated by ChEMBL					Assay Description Inhibition of ROCK1 assessed as ATP cunsumption				Bioorg Med Chem Lett 20: 3361-6 (2010) Article DOI: 10.1016/j.bmcl.2010.04.020 BindingDB Entry DOI: 10.7270/Q289161H
					More data for this Ligand-Target Pair