BDBM50396760 CHEMBL2172371

SMILES: CSc1cccc(c1)-c1nc(cc2cccnc12)N1CCC(CC1)C(O)=O

InChI Key: InChIKey=XQWNWCKWMIKDMT-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 = 50396760   

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
cAMP-specific 3',5'-cyclic phosphodiesterase 4D (Homo sapiens (Human))	BDBM50396760 (CHEMBL2172371) Show SMILES CSc1cccc(c1)-c1nc(cc2cccnc12)N1CCC(CC1)C(O)=O Show InChI InChI=1S/C21H21N3O2S/c1-27-17-6-2-4-15(12-17)20-19-16(5-3-9-22-19)13-18(23-20)24-10-7-14(8-11-24)21(25)26/h2-6,9,12-14H,7-8,10-11H2,1H3,(H,25,26)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	51	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of human PDE4D-mediated [3H]CAMP hydrolysis after 30 to 60 mins by scintillation proximity assay				J Med Chem 55: 7472-9 (2012) Article DOI: 10.1021/jm300459a BindingDB Entry DOI: 10.7270/Q2RN390V
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A (Homo sapiens (Human))	BDBM50396760 (CHEMBL2172371) Show SMILES CSc1cccc(c1)-c1nc(cc2cccnc12)N1CCC(CC1)C(O)=O Show InChI InChI=1S/C21H21N3O2S/c1-27-17-6-2-4-15(12-17)20-19-16(5-3-9-22-19)13-18(23-20)24-10-7-14(8-11-24)21(25)26/h2-6,9,12-14H,7-8,10-11H2,1H3,(H,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	587	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of human PDE4A-mediated [3H]CAMP hydrolysis after 30 to 60 mins by scintillation proximity assay				J Med Chem 55: 7472-9 (2012) Article DOI: 10.1021/jm300459a BindingDB Entry DOI: 10.7270/Q2RN390V
					More data for this Ligand-Target Pair
3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50396760 (CHEMBL2172371) Show SMILES CSc1cccc(c1)-c1nc(cc2cccnc12)N1CCC(CC1)C(O)=O Show InChI InChI=1S/C21H21N3O2S/c1-27-17-6-2-4-15(12-17)20-19-16(5-3-9-22-19)13-18(23-20)24-10-7-14(8-11-24)21(25)26/h2-6,9,12-14H,7-8,10-11H2,1H3,(H,25,26)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.33E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of human PDE4B-mediated [3H]CAMP hydrolysis after 30 to 60 mins by scintillation proximity assay				J Med Chem 55: 7472-9 (2012) Article DOI: 10.1021/jm300459a BindingDB Entry DOI: 10.7270/Q2RN390V
					More data for this Ligand-Target Pair