BDBM50230988 CHEMBL4089697

SMILES: OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC(C)CC1N(C(N)=NC1=O)c1nc(NC2CCC(CC2)Nc2nc(NC(N)=N)nc(n2)N2C(CC(C)C)C(=O)N=C2N)nc(NC(N)=N)n1

InChI Key: InChIKey=WVHPJQKBKSRFQL-UHFFFAOYSA-N

Data: 2 EC50

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 = 50230988   

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
Atrial natriuretic peptide receptor (Homo sapiens (Human))	BDBM50230988 (CHEMBL4089697) Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC(C)CC1N(C(N)=NC1=O)c1nc(NC2CCC(CC2)Nc2nc(NC(N)=N)nc(n2)N2C(CC(C)C)C(=O)N=C2N)nc(NC(N)=N)n1 |c:31,67,(32.04,-9.35,;30.7,-8.58,;30.71,-7.04,;29.37,-9.35,;28.16,-10.05,;27.86,-8.78,;29.11,-10.94,;34.89,-15.88,;33.55,-15.11,;33.56,-13.57,;32.22,-15.88,;31,-16.58,;30.71,-15.31,;31.96,-17.47,;14.68,-11.45,;13.34,-10.68,;13.35,-9.14,;12.01,-11.45,;10.8,-12.15,;10.5,-10.88,;11.75,-13.04,;17.66,-21.6,;16.32,-20.83,;16.33,-19.29,;14.99,-21.6,;13.77,-22.3,;13.48,-21.03,;14.73,-23.19,;25.36,-7.78,;23.88,-7.36,;23.51,-5.86,;22.77,-8.43,;21.29,-8,;20.07,-8.94,;18.8,-8.07,;17.35,-8.6,;19.23,-6.59,;20.77,-6.54,;21.63,-5.28,;20.12,-10.48,;21.48,-11.21,;21.52,-12.75,;22.88,-13.47,;22.93,-15.02,;21.62,-15.83,;21.66,-17.37,;23.03,-18.1,;24.33,-17.28,;24.28,-15.74,;23.07,-19.63,;24.42,-20.36,;25.74,-19.55,;27.09,-20.28,;28.4,-19.47,;29.76,-20.19,;29.8,-21.73,;31.07,-19.39,;27.14,-21.82,;25.83,-22.63,;24.47,-21.9,;25.88,-24.17,;24.66,-25.11,;23.18,-24.69,;22.07,-25.75,;20.59,-25.33,;22.44,-27.25,;25.18,-26.56,;24.32,-27.83,;26.72,-26.51,;27.15,-25.04,;28.6,-24.51,;20.21,-13.56,;18.85,-12.83,;17.55,-13.64,;17.6,-15.18,;18.95,-15.91,;16.29,-15.99,;18.81,-11.29,)| Show InChI InChI=1S/C28H44N20O2.4C2HF3O2/c1-11(2)9-15-17(49)37-21(33)47(15)27-43-23(41-25(45-27)39-19(29)30)35-13-5-7-14(8-6-13)36-24-42-26(40-20(31)32)46-28(44-24)48-16(10-12(3)4)18(50)38-22(48)34;4*3-2(4,5)1(6)7/h11-16H,5-10H2,1-4H3,(H2,33,37,49)(H2,34,38,50)(H5,29,30,35,39,41,43,45)(H5,31,32,36,40,42,44,46);4*(H,6,7)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	8.10	n/a	n/a	n/a	n/a
Asubio Pharma Co., Ltd Curated by ChEMBL					Assay Description Agonist activity at human NPR-A expressed in CHO cells assessed as increase in cGMP accumulation after 30 mins by radioimmunoassay				Bioorg Med Chem 25: 1762-1769 (2017) BindingDB Entry DOI: 10.7270/Q2VX0JR5
					More data for this Ligand-Target Pair
Atrial natriuretic peptide receptor 1 (Rattus norvegicus)	BDBM50230988 (CHEMBL4089697) Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC(C)CC1N(C(N)=NC1=O)c1nc(NC2CCC(CC2)Nc2nc(NC(N)=N)nc(n2)N2C(CC(C)C)C(=O)N=C2N)nc(NC(N)=N)n1 |c:31,67,(32.04,-9.35,;30.7,-8.58,;30.71,-7.04,;29.37,-9.35,;28.16,-10.05,;27.86,-8.78,;29.11,-10.94,;34.89,-15.88,;33.55,-15.11,;33.56,-13.57,;32.22,-15.88,;31,-16.58,;30.71,-15.31,;31.96,-17.47,;14.68,-11.45,;13.34,-10.68,;13.35,-9.14,;12.01,-11.45,;10.8,-12.15,;10.5,-10.88,;11.75,-13.04,;17.66,-21.6,;16.32,-20.83,;16.33,-19.29,;14.99,-21.6,;13.77,-22.3,;13.48,-21.03,;14.73,-23.19,;25.36,-7.78,;23.88,-7.36,;23.51,-5.86,;22.77,-8.43,;21.29,-8,;20.07,-8.94,;18.8,-8.07,;17.35,-8.6,;19.23,-6.59,;20.77,-6.54,;21.63,-5.28,;20.12,-10.48,;21.48,-11.21,;21.52,-12.75,;22.88,-13.47,;22.93,-15.02,;21.62,-15.83,;21.66,-17.37,;23.03,-18.1,;24.33,-17.28,;24.28,-15.74,;23.07,-19.63,;24.42,-20.36,;25.74,-19.55,;27.09,-20.28,;28.4,-19.47,;29.76,-20.19,;29.8,-21.73,;31.07,-19.39,;27.14,-21.82,;25.83,-22.63,;24.47,-21.9,;25.88,-24.17,;24.66,-25.11,;23.18,-24.69,;22.07,-25.75,;20.59,-25.33,;22.44,-27.25,;25.18,-26.56,;24.32,-27.83,;26.72,-26.51,;27.15,-25.04,;28.6,-24.51,;20.21,-13.56,;18.85,-12.83,;17.55,-13.64,;17.6,-15.18,;18.95,-15.91,;16.29,-15.99,;18.81,-11.29,)| Show InChI InChI=1S/C28H44N20O2.4C2HF3O2/c1-11(2)9-15-17(49)37-21(33)47(15)27-43-23(41-25(45-27)39-19(29)30)35-13-5-7-14(8-6-13)36-24-42-26(40-20(31)32)46-28(44-24)48-16(10-12(3)4)18(50)38-22(48)34;4*3-2(4,5)1(6)7/h11-16H,5-10H2,1-4H3,(H2,33,37,49)(H2,34,38,50)(H5,29,30,35,39,41,43,45)(H5,31,32,36,40,42,44,46);4*(H,6,7)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	76	n/a	n/a	n/a	n/a
Asubio Pharma Co., Ltd Curated by ChEMBL					Assay Description Agonist activity at rat NPR-A expressed in CHO cells assessed as increase in cGMP accumulation after 15 mins by fluorescent assay				Bioorg Med Chem 25: 1762-1769 (2017) BindingDB Entry DOI: 10.7270/Q2VX0JR5
					More data for this Ligand-Target Pair