BDBM65502 2-amino-8-bromo-9-[(2R,4aR,6R,7R,7aS)-2,7-dihydroxy-2-oxotetrahydro-2H,4H-2lambda~5~-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-1,9-dihydro-6H-purin-6-one::8-Br-cGMP

SMILES: Nc1nc2n([C@@H]3O[C@@H]4COP(O)(=O)O[C@H]4[C@H]3O)c(Br)nc2c(=O)[nH]1

InChI Key: InChIKey=YUFCOOWNNHGGOD-UMMCILCDSA-N

Data: 8 EC50

PDB links: 2 PDB IDs match 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 = 65502   

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) (Homo sapiens (Human))	BDBM65502 (2-amino-8-bromo-9-[(2R,4aR,6R,7R,7aS)-2,7-dihydrox...) Show SMILES Nc1nc2n([C@@H]3O[C@@H]4COP(O)(=O)O[C@H]4[C@H]3O)c(Br)nc2c(=O)[nH]1 Show InChI InChI=1S/C10H11BrN5O7P/c11-9-13-3-6(14-10(12)15-7(3)18)16(9)8-4(17)5-2(22-8)1-21-24(19,20)23-5/h2,4-5,8,17H,1H2,(H,19,20)(H3,12,14,15,18)/t2-,4-,5-,8-/m1/s1	PDB MMDB B.MOAD GoogleScholar AffyNet	Purchase KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	222	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) (G182E) (Homo sapiens (Human))	BDBM65502 (2-amino-8-bromo-9-[(2R,4aR,6R,7R,7aS)-2,7-dihydrox...) Show SMILES Nc1nc2n([C@@H]3O[C@@H]4COP(O)(=O)O[C@H]4[C@H]3O)c(Br)nc2c(=O)[nH]1 Show InChI InChI=1S/C10H11BrN5O7P/c11-9-13-3-6(14-10(12)15-7(3)18)16(9)8-4(17)5-2(22-8)1-21-24(19,20)23-5/h2,4-5,8,17H,1H2,(H,19,20)(H3,12,14,15,18)/t2-,4-,5-,8-/m1/s1	PDB MMDB B.MOAD GoogleScholar AffyNet	Purchase KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	765	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))	BDBM65502 (2-amino-8-bromo-9-[(2R,4aR,6R,7R,7aS)-2,7-dihydrox...) Show SMILES Nc1nc2n([C@@H]3O[C@@H]4COP(O)(=O)O[C@H]4[C@H]3O)c(Br)nc2c(=O)[nH]1 Show InChI InChI=1S/C10H11BrN5O7P/c11-9-13-3-6(14-10(12)15-7(3)18)16(9)8-4(17)5-2(22-8)1-21-24(19,20)23-5/h2,4-5,8,17H,1H2,(H,19,20)(H3,12,14,15,18)/t2-,4-,5-,8-/m1/s1	PDB MMDB B.MOAD GoogleScholar AffyNet	Purchase KEGG 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 II 41−418 (G356E) (Homo sapiens (Human))	BDBM65502 (2-amino-8-bromo-9-[(2R,4aR,6R,7R,7aS)-2,7-dihydrox...) Show SMILES Nc1nc2n([C@@H]3O[C@@H]4COP(O)(=O)O[C@H]4[C@H]3O)c(Br)nc2c(=O)[nH]1 Show InChI InChI=1S/C10H11BrN5O7P/c11-9-13-3-6(14-10(12)15-7(3)18)16(9)8-4(17)5-2(22-8)1-21-24(19,20)23-5/h2,4-5,8,17H,1H2,(H,19,20)(H3,12,14,15,18)/t2-,4-,5-,8-/m1/s1	PDB GoogleScholar AffyNet	Purchase KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	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				3D Structure (crystal)
cGMP-dependent protein kinase 2 (Homo sapiens (Human))	BDBM65502 (2-amino-8-bromo-9-[(2R,4aR,6R,7R,7aS)-2,7-dihydrox...) Show SMILES Nc1nc2n([C@@H]3O[C@@H]4COP(O)(=O)O[C@H]4[C@H]3O)c(Br)nc2c(=O)[nH]1 Show InChI InChI=1S/C10H11BrN5O7P/c11-9-13-3-6(14-10(12)15-7(3)18)16(9)8-4(17)5-2(22-8)1-21-24(19,20)23-5/h2,4-5,8,17H,1H2,(H,19,20)(H3,12,14,15,18)/t2-,4-,5-,8-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	58	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))	BDBM65502 (2-amino-8-bromo-9-[(2R,4aR,6R,7R,7aS)-2,7-dihydrox...) Show SMILES Nc1nc2n([C@@H]3O[C@@H]4COP(O)(=O)O[C@H]4[C@H]3O)c(Br)nc2c(=O)[nH]1 Show InChI InChI=1S/C10H11BrN5O7P/c11-9-13-3-6(14-10(12)15-7(3)18)16(9)8-4(17)5-2(22-8)1-21-24(19,20)23-5/h2,4-5,8,17H,1H2,(H,19,20)(H3,12,14,15,18)/t2-,4-,5-,8-/m1/s1	PDB MMDB B.MOAD GoogleScholar AffyNet	Purchase KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	20	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 (G232E) (Homo sapiens (Human))	BDBM65502 (2-amino-8-bromo-9-[(2R,4aR,6R,7R,7aS)-2,7-dihydrox...) Show SMILES Nc1nc2n([C@@H]3O[C@@H]4COP(O)(=O)O[C@H]4[C@H]3O)c(Br)nc2c(=O)[nH]1 Show InChI InChI=1S/C10H11BrN5O7P/c11-9-13-3-6(14-10(12)15-7(3)18)16(9)8-4(17)5-2(22-8)1-21-24(19,20)23-5/h2,4-5,8,17H,1H2,(H,19,20)(H3,12,14,15,18)/t2-,4-,5-,8-/m1/s1	PDB MMDB B.MOAD GoogleScholar AffyNet	Purchase KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	11	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))	BDBM65502 (2-amino-8-bromo-9-[(2R,4aR,6R,7R,7aS)-2,7-dihydrox...) Show SMILES Nc1nc2n([C@@H]3O[C@@H]4COP(O)(=O)O[C@H]4[C@H]3O)c(Br)nc2c(=O)[nH]1 Show InChI InChI=1S/C10H11BrN5O7P/c11-9-13-3-6(14-10(12)15-7(3)18)16(9)8-4(17)5-2(22-8)1-21-24(19,20)23-5/h2,4-5,8,17H,1H2,(H,19,20)(H3,12,14,15,18)/t2-,4-,5-,8-/m1/s1	PDB MMDB B.MOAD DrugBank GoogleScholar AffyNet	Purchase KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	206	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)