BDBM50347323 CHEMBL1796845

SMILES: COc1cccc(c1)-c1n[nH]c(c1CCNS(=O)(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1)-c1cccs1

InChI Key: InChIKey=PSVBEKARULHSMY-HSZRJFAPSA-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 = 50347323   

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
Arachidonate 15-lipoxygenase (Oryctolagus cuniculus (rabbit))	BDBM50347323 (CHEMBL1796845) Show SMILES COc1cccc(c1)-c1n[nH]c(c1CCNS(=O)(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1)-c1cccs1 |r| Show InChI InChI=1S/C28H33N5O3S2/c1-32(23-14-16-33(20-23)19-21-8-4-3-5-9-21)38(34,35)29-15-13-25-27(22-10-6-11-24(18-22)36-2)30-31-28(25)26-12-7-17-37-26/h3-12,17-18,23,29H,13-16,19-20H2,1-2H3,(H,30,31)/t23-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.30	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of rabbit 15-LO using arachidonic acid by standard colorimetric assay				Bioorg Med Chem Lett 21: 4141-5 (2011) Article DOI: 10.1016/j.bmcl.2011.05.107 BindingDB Entry DOI: 10.7270/Q2028RW3
					More data for this Ligand-Target Pair
Arachidonate 15-lipoxygenase (Oryctolagus cuniculus (rabbit))	BDBM50347323 (CHEMBL1796845) Show SMILES COc1cccc(c1)-c1n[nH]c(c1CCNS(=O)(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1)-c1cccs1 |r| Show InChI InChI=1S/C28H33N5O3S2/c1-32(23-14-16-33(20-23)19-21-8-4-3-5-9-21)38(34,35)29-15-13-25-27(22-10-6-11-24(18-22)36-2)30-31-28(25)26-12-7-17-37-26/h3-12,17-18,23,29H,13-16,19-20H2,1-2H3,(H,30,31)/t23-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of rabbit 15-LO using linoleic acid by standard colorimetric assay				Bioorg Med Chem Lett 21: 4141-5 (2011) Article DOI: 10.1016/j.bmcl.2011.05.107 BindingDB Entry DOI: 10.7270/Q2028RW3
					More data for this Ligand-Target Pair