BDBM50460673 CHEMBL4229054

SMILES: C[C@H](c1ccc(cc1)C(F)(F)F)n1c2[C@H](CC(O)=O)CCCc2c2cc(F)cc(c12)S(C)(=O)=O

InChI Key: InChIKey=KSSMIJUMUAANAX-HIFRSBDPSA-N

Data: 1 KI  1 IC50

PDB links: 1 PDB ID matches this monomer.

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 = 50460673   

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
Prostanoid DP receptor (Homo sapiens (Human))	BDBM50460673 (CHEMBL4229054) Show SMILES C[C@H](c1ccc(cc1)C(F)(F)F)n1c2[C@H](CC(O)=O)CCCc2c2cc(F)cc(c12)S(C)(=O)=O |r| Show InChI InChI=1S/C24H23F4NO4S/c1-13(14-6-8-16(9-7-14)24(26,27)28)29-22-15(10-21(30)31)4-3-5-18(22)19-11-17(25)12-20(23(19)29)34(2,32)33/h6-9,11-13,15H,3-5,10H2,1-2H3,(H,30,31)/t13-,15+/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	674	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Inc. Curated by ChEMBL					Assay Description Antagonist activity at DP1 receptor (unknown origin)				Bioorg Med Chem Lett 28: 1122-1126 (2018) Article DOI: 10.1016/j.bmcl.2018.01.039 BindingDB Entry DOI: 10.7270/Q2QV3Q4C
					More data for this Ligand-Target Pair
Homo sapiens phosphodiesterase 2A (PDE2A) (Homo sapiens (Human))	BDBM50460673 (CHEMBL4229054) Show SMILES C[C@H](c1ccc(cc1)C(F)(F)F)n1c2[C@H](CC(O)=O)CCCc2c2cc(F)cc(c12)S(C)(=O)=O |r| Show InChI InChI=1S/C24H23F4NO4S/c1-13(14-6-8-16(9-7-14)24(26,27)28)29-22-15(10-21(30)31)4-3-5-18(22)19-11-17(25)12-20(23(19)29)34(2,32)33/h6-9,11-13,15H,3-5,10H2,1-2H3,(H,30,31)/t13-,15+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Inc. Curated by ChEMBL					Assay Description Inhibition of PDE2 (unknown origin)				Bioorg Med Chem Lett 28: 1122-1126 (2018) Article DOI: 10.1016/j.bmcl.2018.01.039 BindingDB Entry DOI: 10.7270/Q2QV3Q4C
					More data for this Ligand-Target Pair