BDBM480488 US10899756, Compound E

SMILES: COc1ccc(CNc2c3c(NCCNC3=O)nc3ccc(cc23)C#N)cc1Cl

InChI Key: InChIKey=FECZHVISRNXUCS-UHFFFAOYSA-N

Data: 2 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 = 480488   

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
Rod cGMP-specific 3',5'-cyclic phosphodiesterase subunit alpha (Homo sapiens (Human))	BDBM480488 (US10899756, Compound E) Show SMILES COc1ccc(CNc2c3c(NCCNC3=O)nc3ccc(cc23)C#N)cc1Cl Show InChI InChI=1S/C21H18ClN5O2/c1-29-17-5-3-13(9-15(17)22)11-26-19-14-8-12(10-23)2-4-16(14)27-20-18(19)21(28)25-7-6-24-20/h2-5,8-9H,6-7,11H2,1H3,(H,25,28)(H2,24,26,27)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	UniChem	US Patent	n/a	n/a	6.62E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Trustees of Columbia University in the City of New York US Patent					Assay Description A series of dilutions of the test compounds were prepared with 10% DMSO in assay buffer and 5 μl of the dilution was added to a 50 μl react...				US Patent US10899756 (2021)
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM480488 (US10899756, Compound E) Show SMILES COc1ccc(CNc2c3c(NCCNC3=O)nc3ccc(cc23)C#N)cc1Cl Show InChI InChI=1S/C21H18ClN5O2/c1-29-17-5-3-13(9-15(17)22)11-26-19-14-8-12(10-23)2-4-16(14)27-20-18(19)21(28)25-7-6-24-20/h2-5,8-9H,6-7,11H2,1H3,(H,25,28)(H2,24,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem	US Patent	n/a	n/a	43.8	n/a	n/a	n/a	n/a	n/a	n/a
The Trustees of Columbia University in the City of New York US Patent					Assay Description A series of dilutions of the test compounds were prepared with 10% DMSO in assay buffer and 5 μl of the dilution was added to a 50 μl react...				US Patent US10899756 (2021)
					More data for this Ligand-Target Pair