BDBM65505 PET-cGMP

SMILES: O[C@@H]1[C@@H]2OP(O)(=O)OC[C@H]2O[C@H]1n1cnc2c1[nH]c1nc(cn1c2=O)-c1ccccc1

InChI Key: InChIKey=TVSIKYJKUPRIDV-LSCFUAHRSA-N

Data: 8 EC50

PDB links: 1 PDB ID matches this monomer.

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 8 hits for monomerid = 65505   

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
hPKG 1 beta (aa 1-351) (G182E) (Homo sapiens (Human))	BDBM65505 (PET-cGMP) Show SMILES O[C@@H]1[C@@H]2OP(O)(=O)OC[C@H]2O[C@H]1n1cnc2c1[nH]c1nc(cn1c2=O)-c1ccccc1 Show InChI InChI=1S/C18H16N5O7P/c24-13-14-11(7-28-31(26,27)30-14)29-17(13)23-8-19-12-15(23)21-18-20-10(6-22(18)16(12)25)9-4-2-1-3-5-9/h1-6,8,11,13-14,17,24H,7H2,(H,20,21)(H,26,27)/t11-,13-,14-,17-/m1/s1	PDB MMDB B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	5.80	n/a	n/a	7.0	n/a
Baylor College of Medicine					Assay Description Kinase activity was determined employing a microfluidic mobility-shift assay on a Caliper DeskTop Profiler (Caliper Life Sciences, PerkinElmer). The ...				ACS Chem Biol 12: 2388-2398 (2017) Article DOI: 10.1021/acschembio.7b00369 BindingDB Entry DOI: 10.7270/Q2930RB1
					More data for this Ligand-Target Pair				3D Structure (crystal)
hPKG 1 beta (aa 1-351) (G306E) (Homo sapiens (Human))	BDBM65505 (PET-cGMP) Show SMILES O[C@@H]1[C@@H]2OP(O)(=O)OC[C@H]2O[C@H]1n1cnc2c1[nH]c1nc(cn1c2=O)-c1ccccc1 Show InChI InChI=1S/C18H16N5O7P/c24-13-14-11(7-28-31(26,27)30-14)29-17(13)23-8-19-12-15(23)21-18-20-10(6-22(18)16(12)25)9-4-2-1-3-5-9/h1-6,8,11,13-14,17,24H,7H2,(H,20,21)(H,26,27)/t11-,13-,14-,17-/m1/s1	PDB MMDB B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	<2	n/a	n/a	7.0	n/a
Baylor College of Medicine					Assay Description Kinase activity was determined employing a microfluidic mobility-shift assay on a Caliper DeskTop Profiler (Caliper Life Sciences, PerkinElmer). The ...				ACS Chem Biol 12: 2388-2398 (2017) Article DOI: 10.1021/acschembio.7b00369 BindingDB Entry DOI: 10.7270/Q2930RB1
					More data for this Ligand-Target Pair				3D Structure (crystal)
hPKG 1 beta (aa 5-676) (Homo sapiens (Human))	BDBM65505 (PET-cGMP) Show SMILES O[C@@H]1[C@@H]2OP(O)(=O)OC[C@H]2O[C@H]1n1cnc2c1[nH]c1nc(cn1c2=O)-c1ccccc1 Show InChI InChI=1S/C18H16N5O7P/c24-13-14-11(7-28-31(26,27)30-14)29-17(13)23-8-19-12-15(23)21-18-20-10(6-22(18)16(12)25)9-4-2-1-3-5-9/h1-6,8,11,13-14,17,24H,7H2,(H,20,21)(H,26,27)/t11-,13-,14-,17-/m1/s1	PDB MMDB B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	18	n/a	n/a	7.0	n/a
Baylor College of Medicine					Assay Description Kinase activity was determined employing a microfluidic mobility-shift assay on a Caliper DeskTop Profiler (Caliper Life Sciences, PerkinElmer). The ...				ACS Chem Biol 12: 2388-2398 (2017) Article DOI: 10.1021/acschembio.7b00369 BindingDB Entry DOI: 10.7270/Q2930RB1
					More data for this Ligand-Target Pair				3D Structure (crystal)
hPKG 1 beta (aa 1-351) (Homo sapiens (Human))	BDBM65505 (PET-cGMP) Show SMILES O[C@@H]1[C@@H]2OP(O)(=O)OC[C@H]2O[C@H]1n1cnc2c1[nH]c1nc(cn1c2=O)-c1ccccc1 Show InChI InChI=1S/C18H16N5O7P/c24-13-14-11(7-28-31(26,27)30-14)29-17(13)23-8-19-12-15(23)21-18-20-10(6-22(18)16(12)25)9-4-2-1-3-5-9/h1-6,8,11,13-14,17,24H,7H2,(H,20,21)(H,26,27)/t11-,13-,14-,17-/m1/s1	PDB MMDB B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	3.80	n/a	n/a	7.0	n/a
Baylor College of Medicine					Assay Description Kinase activity was determined employing a microfluidic mobility-shift assay on a Caliper DeskTop Profiler (Caliper Life Sciences, PerkinElmer). The ...				ACS Chem Biol 12: 2388-2398 (2017) Article DOI: 10.1021/acschembio.7b00369 BindingDB Entry DOI: 10.7270/Q2930RB1
					More data for this Ligand-Target Pair				3D Structure (crystal)
hPKG II 41−418 (Homo sapiens (Human))	BDBM65505 (PET-cGMP) Show SMILES O[C@@H]1[C@@H]2OP(O)(=O)OC[C@H]2O[C@H]1n1cnc2c1[nH]c1nc(cn1c2=O)-c1ccccc1 Show InChI InChI=1S/C18H16N5O7P/c24-13-14-11(7-28-31(26,27)30-14)29-17(13)23-8-19-12-15(23)21-18-20-10(6-22(18)16(12)25)9-4-2-1-3-5-9/h1-6,8,11,13-14,17,24H,7H2,(H,20,21)(H,26,27)/t11-,13-,14-,17-/m1/s1	PDB MMDB B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	193	n/a	n/a	7.0	n/a
Baylor College of Medicine					Assay Description Kinase activity was determined employing a microfluidic mobility-shift assay on a Caliper DeskTop Profiler (Caliper Life Sciences, PerkinElmer). The ...				ACS Chem Biol 12: 2388-2398 (2017) Article DOI: 10.1021/acschembio.7b00369 BindingDB Entry DOI: 10.7270/Q2930RB1
					More data for this Ligand-Target Pair
hPKG II 41−418 (G232E) (Homo sapiens (Human))	BDBM65505 (PET-cGMP) Show SMILES O[C@@H]1[C@@H]2OP(O)(=O)OC[C@H]2O[C@H]1n1cnc2c1[nH]c1nc(cn1c2=O)-c1ccccc1 Show InChI InChI=1S/C18H16N5O7P/c24-13-14-11(7-28-31(26,27)30-14)29-17(13)23-8-19-12-15(23)21-18-20-10(6-22(18)16(12)25)9-4-2-1-3-5-9/h1-6,8,11,13-14,17,24H,7H2,(H,20,21)(H,26,27)/t11-,13-,14-,17-/m1/s1	PDB MMDB B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.96E+3	n/a	n/a	7.0	n/a
Baylor College of Medicine					Assay Description Kinase activity was determined employing a microfluidic mobility-shift assay on a Caliper DeskTop Profiler (Caliper Life Sciences, PerkinElmer). The ...				ACS Chem Biol 12: 2388-2398 (2017) Article DOI: 10.1021/acschembio.7b00369 BindingDB Entry DOI: 10.7270/Q2930RB1
					More data for this Ligand-Target Pair
hPKG II 41−418 (G356E) (Homo sapiens (Human))	BDBM65505 (PET-cGMP) Show SMILES O[C@@H]1[C@@H]2OP(O)(=O)OC[C@H]2O[C@H]1n1cnc2c1[nH]c1nc(cn1c2=O)-c1ccccc1 Show InChI InChI=1S/C18H16N5O7P/c24-13-14-11(7-28-31(26,27)30-14)29-17(13)23-8-19-12-15(23)21-18-20-10(6-22(18)16(12)25)9-4-2-1-3-5-9/h1-6,8,11,13-14,17,24H,7H2,(H,20,21)(H,26,27)/t11-,13-,14-,17-/m1/s1	PDB GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	5.30	n/a	n/a	7.0	n/a
Baylor College of Medicine					Assay Description Kinase activity was determined employing a microfluidic mobility-shift assay on a Caliper DeskTop Profiler (Caliper Life Sciences, PerkinElmer). The ...				ACS Chem Biol 12: 2388-2398 (2017) Article DOI: 10.1021/acschembio.7b00369 BindingDB Entry DOI: 10.7270/Q2930RB1
					More data for this Ligand-Target Pair
cGMP-dependent protein kinase 2 (Homo sapiens (Human))	BDBM65505 (PET-cGMP) Show SMILES O[C@@H]1[C@@H]2OP(O)(=O)OC[C@H]2O[C@H]1n1cnc2c1[nH]c1nc(cn1c2=O)-c1ccccc1 Show InChI InChI=1S/C18H16N5O7P/c24-13-14-11(7-28-31(26,27)30-14)29-17(13)23-8-19-12-15(23)21-18-20-10(6-22(18)16(12)25)9-4-2-1-3-5-9/h1-6,8,11,13-14,17,24H,7H2,(H,20,21)(H,26,27)/t11-,13-,14-,17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	225	n/a	n/a	7.0	n/a
Baylor College of Medicine					Assay Description Kinase activity was determined employing a microfluidic mobility-shift assay on a Caliper DeskTop Profiler (Caliper Life Sciences, PerkinElmer). The ...				ACS Chem Biol 12: 2388-2398 (2017) Article DOI: 10.1021/acschembio.7b00369 BindingDB Entry DOI: 10.7270/Q2930RB1
					More data for this Ligand-Target Pair