BDBM50504651 CHEMBL4471323

SMILES: CCC1SCC(=O)N1c1c(C#N)c2CCCn2c1C(=O)Nc1ccccc1

InChI Key: InChIKey=RRQDXVLCGBXZKN-UHFFFAOYSA-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 = 50504651   

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 E synthase/G/H synthase 2 (Homo sapiens (Human))	BDBM50504651 (CHEMBL4471323) Show SMILES CCC1SCC(=O)N1c1c(C#N)c2CCCn2c1C(=O)Nc1ccccc1 Show InChI InChI=1S/C20H20N4O2S/c1-2-17-24(16(25)12-27-17)18-14(11-21)15-9-6-10-23(15)19(18)20(26)22-13-7-4-3-5-8-13/h3-5,7-8,17H,2,6,9-10,12H2,1H3,(H,22,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.08E+4	n/a	n/a	n/a	n/a	n/a	n/a
Umm Al-Qura University Curated by ChEMBL					Assay Description Inhibition of human COX2 using arachidonic acid as substrate incubated for 2 mins by ELISA method				Eur J Med Chem 185: (2020) Article DOI: 10.1016/j.ejmech.2019.111780
					More data for this Ligand-Target Pair
Cyclooxygenase (Homo sapiens (Human))	BDBM50504651 (CHEMBL4471323) Show SMILES CCC1SCC(=O)N1c1c(C#N)c2CCCn2c1C(=O)Nc1ccccc1 Show InChI InChI=1S/C20H20N4O2S/c1-2-17-24(16(25)12-27-17)18-14(11-21)15-9-6-10-23(15)19(18)20(26)22-13-7-4-3-5-8-13/h3-5,7-8,17H,2,6,9-10,12H2,1H3,(H,22,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.37E+4	n/a	n/a	n/a	n/a	n/a	n/a
Umm Al-Qura University Curated by ChEMBL					Assay Description Inhibition of human COX1 using arachidonic acid as substrate incubated for 2 mins by ELISA method				Eur J Med Chem 185: (2020) Article DOI: 10.1016/j.ejmech.2019.111780
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50504651 (CHEMBL4471323) Show SMILES CCC1SCC(=O)N1c1c(C#N)c2CCCn2c1C(=O)Nc1ccccc1 Show InChI InChI=1S/C20H20N4O2S/c1-2-17-24(16(25)12-27-17)18-14(11-21)15-9-6-10-23(15)19(18)20(26)22-13-7-4-3-5-8-13/h3-5,7-8,17H,2,6,9-10,12H2,1H3,(H,22,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	630	n/a	n/a	n/a	n/a	n/a	n/a
Umm Al-Qura University Curated by ChEMBL					Assay Description Inhibition of CDK2 (unknown origin) incubated for 40 mins by ADP-glo assay				Eur J Med Chem 185: (2020) Article DOI: 10.1016/j.ejmech.2019.111780
					More data for this Ligand-Target Pair