BDBM50218589 CHEMBL79535

SMILES: COc1ccc2c(Cc3c(Cl)cncc3Cl)nnc(N3CCCC3)c2c1

InChI Key: InChIKey=DWGPOBJDCKSRHT-UHFFFAOYSA-N

Data: 1 KI  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 4 hits for monomerid = 50218589   

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))	BDBM50218589 (CHEMBL79535) Show SMILES COc1ccc2c(Cc3c(Cl)cncc3Cl)nnc(N3CCCC3)c2c1 Show InChI InChI=1S/C19H18Cl2N4O/c1-26-12-4-5-13-14(8-12)19(25-6-2-3-7-25)24-23-18(13)9-15-16(20)10-22-11-17(15)21/h4-5,8,10-11H,2-3,6-7,9H2,1H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	89	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Zambon Group Curated by ChEMBL					Assay Description Inhibition of alpha4-beta1 VCAM binding in Jurkat cell adhesion assay				Bioorg Med Chem Lett 11: 33-7 (2001) BindingDB Entry DOI: 10.7270/Q2MS3VZ5
					More data for this Ligand-Target Pair
Phosphodiesterase 4 (Homo sapiens (Human))	BDBM50218589 (CHEMBL79535) Show SMILES COc1ccc2c(Cc3c(Cl)cncc3Cl)nnc(N3CCCC3)c2c1 Show InChI InChI=1S/C19H18Cl2N4O/c1-26-12-4-5-13-14(8-12)19(25-6-2-3-7-25)24-23-18(13)9-15-16(20)10-22-11-17(15)21/h4-5,8,10-11H,2-3,6-7,9H2,1H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research Curated by ChEMBL					Assay Description Inhibitory concentration against phosphodiesterase 4.				Bioorg Med Chem Lett 13: 2473-9 (2003) BindingDB Entry DOI: 10.7270/Q24F1SXB
					More data for this Ligand-Target Pair
Phosphodiesterase 4 (Homo sapiens (Human))	BDBM50218589 (CHEMBL79535) Show SMILES COc1ccc2c(Cc3c(Cl)cncc3Cl)nnc(N3CCCC3)c2c1 Show InChI InChI=1S/C19H18Cl2N4O/c1-26-12-4-5-13-14(8-12)19(25-6-2-3-7-25)24-23-18(13)9-15-16(20)10-22-11-17(15)21/h4-5,8,10-11H,2-3,6-7,9H2,1H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research Curated by ChEMBL					Assay Description In vitro inhibitory concentration against phosphodiesterase 4.				Bioorg Med Chem Lett 13: 2473-9 (2003) BindingDB Entry DOI: 10.7270/Q24F1SXB
					More data for this Ligand-Target Pair
Phosphodiesterase 4 (Homo sapiens (Human))	BDBM50218589 (CHEMBL79535) Show SMILES COc1ccc2c(Cc3c(Cl)cncc3Cl)nnc(N3CCCC3)c2c1 Show InChI InChI=1S/C19H18Cl2N4O/c1-26-12-4-5-13-14(8-12)19(25-6-2-3-7-25)24-23-18(13)9-15-16(20)10-22-11-17(15)21/h4-5,8,10-11H,2-3,6-7,9H2,1H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
Zambon Group Curated by ChEMBL					Assay Description Inhibition of human Phosphodiesterase 4				Bioorg Med Chem Lett 11: 33-7 (2001) BindingDB Entry DOI: 10.7270/Q2MS3VZ5
					More data for this Ligand-Target Pair