BDBM50347329 CHEMBL1796851

SMILES: CCN([C@@H]1CCN(C1)C(C)c1ccc(F)cc1)S(=O)(=O)NCCc1c(n[nH]c1-c1cccs1)-c1cnccn1

InChI Key: InChIKey=XDQSDBOCBATCPK-AVKWCDSFSA-N

Data: 3 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 = 50347329   

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))	BDBM50347329 (CHEMBL1796851) Show SMILES CCN([C@@H]1CCN(C1)C(C)c1ccc(F)cc1)S(=O)(=O)NCCc1c(n[nH]c1-c1cccs1)-c1cnccn1 |r| Show InChI InChI=1S/C27H32FN7O2S2/c1-3-35(22-11-15-34(18-22)19(2)20-6-8-21(28)9-7-20)39(36,37)31-12-10-23-26(24-17-29-13-14-30-24)32-33-27(23)25-5-4-16-38-25/h4-9,13-14,16-17,19,22,31H,3,10-12,15,18H2,1-2H3,(H,32,33)/t19?,22-/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	1.40	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
Arachidonate 15-lipoxygenase (Homo sapiens (Human))	BDBM50347329 (CHEMBL1796851) Show SMILES CCN([C@@H]1CCN(C1)C(C)c1ccc(F)cc1)S(=O)(=O)NCCc1c(n[nH]c1-c1cccs1)-c1cnccn1 |r| Show InChI InChI=1S/C27H32FN7O2S2/c1-3-35(22-11-15-34(18-22)19(2)20-6-8-21(28)9-7-20)39(36,37)31-12-10-23-26(24-17-29-13-14-30-24)32-33-27(23)25-5-4-16-38-25/h4-9,13-14,16-17,19,22,31H,3,10-12,15,18H2,1-2H3,(H,32,33)/t19?,22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	51	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 human 15-LO expressed in CHO cells by cell-based 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))	BDBM50347329 (CHEMBL1796851) Show SMILES CCN([C@@H]1CCN(C1)C(C)c1ccc(F)cc1)S(=O)(=O)NCCc1c(n[nH]c1-c1cccs1)-c1cnccn1 |r| Show InChI InChI=1S/C27H32FN7O2S2/c1-3-35(22-11-15-34(18-22)19(2)20-6-8-21(28)9-7-20)39(36,37)31-12-10-23-26(24-17-29-13-14-30-24)32-33-27(23)25-5-4-16-38-25/h4-9,13-14,16-17,19,22,31H,3,10-12,15,18H2,1-2H3,(H,32,33)/t19?,22-/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	3.10	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