BDBM50543860 CHEMBL4163720

SMILES: CS(=O)(=O)c1ccc(cc1)-c1cc(Cn2ccnc2)c2ccc(C3CCCCC3)c(C3CCCCC3)c2n1

InChI Key: InChIKey=OTCISVMRODWWLR-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 = 50543860   

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
Prostaglandin G/H synthase (cyclooxygenase) (Ovis aries (Sheep))	BDBM50543860 (CHEMBL4163720) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(Cn2ccnc2)c2ccc(C3CCCCC3)c(C3CCCCC3)c2n1 Show InChI InChI=1S/C32H37N3O2S/c1-38(36,37)27-14-12-24(13-15-27)30-20-26(21-35-19-18-33-22-35)29-17-16-28(23-8-4-2-5-9-23)31(32(29)34-30)25-10-6-3-7-11-25/h12-20,22-23,25H,2-11,21H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	63	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Estadual de Maring£ (UEM) Curated by ChEMBL					Assay Description Inhibition of ovine COX-2 using arachidonic acid as substrate by enzyme chemiluminescent method				Bioorg Med Chem 28: (2020)
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase) (Ovis aries (Sheep))	BDBM50543860 (CHEMBL4163720) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(Cn2ccnc2)c2ccc(C3CCCCC3)c(C3CCCCC3)c2n1 Show InChI InChI=1S/C32H37N3O2S/c1-38(36,37)27-14-12-24(13-15-27)30-20-26(21-35-19-18-33-22-35)29-17-16-28(23-8-4-2-5-9-23)31(32(29)34-30)25-10-6-3-7-11-25/h12-20,22-23,25H,2-11,21H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	3.45E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Estadual de Maring£ (UEM) Curated by ChEMBL					Assay Description Inhibition of ovine COX-1 using arachidonic acid as substrate by enzyme chemiluminescent method				Bioorg Med Chem 28: (2020)
					More data for this Ligand-Target Pair