Affinity Data by PDB ID

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PDB code 3JSI

Identical Ligands in BindingDB

Found 3 hits Enzyme Inhibition Constant Data
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Phosphodiesterase 9A (325/325 = 100%)^† (Homo sapiens (human))	BDBM50300099 (6-benzyl-1-cyclopentyl-1,5-dihydro-4H-pyrazolo[3,4...) Show SMILES O=c1[nH]c(Cc2ccccc2)nc2n(ncc12)C1CCCC1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant PDE9A expressed in Sf9 cells using [3H]cGMP as substrate after 30 mins by scintillation proximity assay				J Med Chem 55: 9045-54 (2012)
Pfizer Inc. Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Phosphodiesterase 9A (325/325 = 100%)^† (Homo sapiens (human))	BDBM50300099 (6-benzyl-1-cyclopentyl-1,5-dihydro-4H-pyrazolo[3,4...) Show SMILES O=c1[nH]c(Cc2ccccc2)nc2n(ncc12)C1CCCC1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of human recombinant PDE9A expressed in Sf9 cells by SPA				J Med Chem 52: 7946-9 (2009)
Pfizer Global Research and Development Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Phosphodiesterase 9A (325/325 = 100%)^† (Homo sapiens (human))	BDBM50300099 (6-benzyl-1-cyclopentyl-1,5-dihydro-4H-pyrazolo[3,4...) Show SMILES O=c1[nH]c(Cc2ccccc2)nc2n(ncc12)C1CCCC1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of human recombinant PDE9A expressed in Sf9 cells by SPA				J Med Chem 52: 7946-9 (2009)
Pfizer Global Research and Development Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)

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_* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
† Identities from BLAST output