BDBM50106333 CHEMBL3596289

SMILES: CC1(C)CC(C(Cn2c3ccccc3c3ccccc23)=NO1)c1ccc(Cl)cc1

InChI Key: InChIKey=RWXBISJRHAJBBT-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 = 50106333   

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
Cyclooxygenase (Homo sapiens (Human))	BDBM50106333 (CHEMBL3596289) Show SMILES CC1(C)CC(C(Cn2c3ccccc3c3ccccc23)=NO1)c1ccc(Cl)cc1 |c:22| Show InChI InChI=1S/C25H23ClN2O/c1-25(2)15-21(17-11-13-18(26)14-12-17)22(27-29-25)16-28-23-9-5-3-7-19(23)20-8-4-6-10-24(20)28/h3-14,21H,15-16H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bangalore University Curated by ChEMBL					Assay Description Inhibition of COX2 (unknown origin)				Bioorg Med Chem Lett 25: 2931-6 (2015) BindingDB Entry DOI: 10.7270/Q2D220D5
					More data for this Ligand-Target Pair
Cyclooxygenase-1 (COX-1) (Homo sapiens (Human))	BDBM50106333 (CHEMBL3596289) Show SMILES CC1(C)CC(C(Cn2c3ccccc3c3ccccc23)=NO1)c1ccc(Cl)cc1 |c:22| Show InChI InChI=1S/C25H23ClN2O/c1-25(2)15-21(17-11-13-18(26)14-12-17)22(27-29-25)16-28-23-9-5-3-7-19(23)20-8-4-6-10-24(20)28/h3-14,21H,15-16H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.08E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bangalore University Curated by ChEMBL					Assay Description Inhibition of COX1 (unknown origin)				Bioorg Med Chem Lett 25: 2931-6 (2015) BindingDB Entry DOI: 10.7270/Q2D220D5
					More data for this Ligand-Target Pair