BDBM50220986 CHEMBL542650

SMILES: Cl.COc1cc2C[C@@H](CO)N=C(c3ccnc(c3)-n3nc(Cc4cccnc4)c4ccccc4c3=O)c2cc1OC

InChI Key: InChIKey=WFBFZAJCCDOMCI-FTBISJDPSA-N

Data: 1 KI  1 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 = 50220986   

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
Phosphodiesterase 4 (Homo sapiens (Human))	BDBM50220986 (CHEMBL542650) Show SMILES Cl.COc1cc2C[C@@H](CO)N=C(c3ccnc(c3)-n3nc(Cc4cccnc4)c4ccccc4c3=O)c2cc1OC |r,t:9| Show InChI InChI=1S/C31H27N5O4.ClH/c1-39-27-14-21-13-22(18-37)34-30(25(21)16-28(27)40-2)20-9-11-33-29(15-20)36-31(38)24-8-4-3-7-23(24)26(35-36)12-19-6-5-10-32-17-19;/h3-11,14-17,22,37H,12-13,18H2,1-2H3;1H/t22-;/m0./s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tanabe Seiyaku Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of rolipram binding to phosphodiesterase 4				Bioorg Med Chem Lett 13: 2347-50 (2003) BindingDB Entry DOI: 10.7270/Q2HQ4236
					More data for this Ligand-Target Pair
Phosphodiesterase 4 (Homo sapiens (Human))	BDBM50220986 (CHEMBL542650) Show SMILES Cl.COc1cc2C[C@@H](CO)N=C(c3ccnc(c3)-n3nc(Cc4cccnc4)c4ccccc4c3=O)c2cc1OC |r,t:9| Show InChI InChI=1S/C31H27N5O4.ClH/c1-39-27-14-21-13-22(18-37)34-30(25(21)16-28(27)40-2)20-9-11-33-29(15-20)36-31(38)24-8-4-3-7-23(24)26(35-36)12-19-6-5-10-32-17-19;/h3-11,14-17,22,37H,12-13,18H2,1-2H3;1H/t22-;/m0./s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Tanabe Seiyaku Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of phosphodiesterase 4				Bioorg Med Chem Lett 13: 2347-50 (2003) BindingDB Entry DOI: 10.7270/Q2HQ4236
					More data for this Ligand-Target Pair