BDBM50204327 CHEMBL3906347

SMILES: Cc1cc(C)c2c(n1)sn(CC(=O)N1CCN(CC1)c1cccc(Cl)c1)c2=O

InChI Key: InChIKey=HSWXAELHSCLZBD-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50204327   

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-1 (COX-1) (Homo sapiens (Human))	BDBM50204327 (CHEMBL3906347) Show SMILES Cc1cc(C)c2c(n1)sn(CC(=O)N1CCN(CC1)c1cccc(Cl)c1)c2=O Show InChI InChI=1S/C20H21ClN4O2S/c1-13-10-14(2)22-19-18(13)20(27)25(28-19)12-17(26)24-8-6-23(7-9-24)16-5-3-4-15(21)11-16/h3-5,10-11H,6-9,12H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.29E+5	n/a	n/a	n/a	n/a	n/a	n/a
Wroclaw Medical University Curated by ChEMBL					Assay Description Inhibition of COX-1 (unknown origin) using arachidonic acid as substrate preincubated for 2 mins followed by substrate addition in presence of TMPD b...				Bioorg Med Chem 25: 316-326 (2017) Article DOI: 10.1016/j.bmc.2016.10.036 BindingDB Entry DOI: 10.7270/Q21V5GZS
					More data for this Ligand-Target Pair
Cyclooxygenase (Homo sapiens (Human))	BDBM50204327 (CHEMBL3906347) Show SMILES Cc1cc(C)c2c(n1)sn(CC(=O)N1CCN(CC1)c1cccc(Cl)c1)c2=O Show InChI InChI=1S/C20H21ClN4O2S/c1-13-10-14(2)22-19-18(13)20(27)25(28-19)12-17(26)24-8-6-23(7-9-24)16-5-3-4-15(21)11-16/h3-5,10-11H,6-9,12H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.07E+5	n/a	n/a	n/a	n/a	n/a	n/a
Wroclaw Medical University Curated by ChEMBL					Assay Description Inhibition of COX-2 (unknown origin) using arachidonic acid as substrate preincubated for 2 mins followed by substrate addition in presence of TMPD b...				Bioorg Med Chem 25: 316-326 (2017) Article DOI: 10.1016/j.bmc.2016.10.036 BindingDB Entry DOI: 10.7270/Q21V5GZS
					More data for this Ligand-Target Pair
Cyclooxygenase-1 (COX-1) (Homo sapiens (Human))	BDBM50204327 (CHEMBL3906347) Show SMILES Cc1cc(C)c2c(n1)sn(CC(=O)N1CCN(CC1)c1cccc(Cl)c1)c2=O Show InChI InChI=1S/C20H21ClN4O2S/c1-13-10-14(2)22-19-18(13)20(27)25(28-19)12-17(26)24-8-6-23(7-9-24)16-5-3-4-15(21)11-16/h3-5,10-11H,6-9,12H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.75E+5	n/a	n/a	n/a	n/a	n/a	n/a
Wroclaw Medical University Curated by ChEMBL					Assay Description Inhibition of COX-1 (unknown origin) using arachidonic acid as substrate preincubated for 2 mins followed by substrate addition in presence of TMPD b...				Bioorg Med Chem 25: 316-326 (2017) Article DOI: 10.1016/j.bmc.2016.10.036 BindingDB Entry DOI: 10.7270/Q21V5GZS
					More data for this Ligand-Target Pair
Cyclooxygenase (Homo sapiens (Human))	BDBM50204327 (CHEMBL3906347) Show SMILES Cc1cc(C)c2c(n1)sn(CC(=O)N1CCN(CC1)c1cccc(Cl)c1)c2=O Show InChI InChI=1S/C20H21ClN4O2S/c1-13-10-14(2)22-19-18(13)20(27)25(28-19)12-17(26)24-8-6-23(7-9-24)16-5-3-4-15(21)11-16/h3-5,10-11H,6-9,12H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.05E+5	n/a	n/a	n/a	n/a	n/a	n/a
Wroclaw Medical University Curated by ChEMBL					Assay Description Inhibition of COX-2 (unknown origin) using arachidonic acid as substrate preincubated for 2 mins followed by substrate addition in presence of TMPD b...				Bioorg Med Chem 25: 316-326 (2017) Article DOI: 10.1016/j.bmc.2016.10.036 BindingDB Entry DOI: 10.7270/Q21V5GZS
					More data for this Ligand-Target Pair