BDBM50254094 CHEMBL4076904

SMILES: CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)CNC(=O)[C@H](CC1CCCCC1)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](N)Cc1ccccc1)[C@@H](C)CC)C(=O)NCC(N)=O

InChI Key: InChIKey=HNPNPALDKYQDFB-HPDRQMROSA-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 = 50254094   

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))	BDBM50254094 (CHEMBL4076904) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)CNC(=O)[C@H](CC1CCCCC1)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](N)Cc1ccccc1)[C@@H](C)CC)C(=O)NCC(N)=O |r| Show InChI InChI=1S/C56H90N16O15/c1-5-31(3)46(54(86)63-26-41(58)74)70-51(83)36(19-13-21-61-56(59)60)67-52(84)38(25-45(78)79)68-55(87)47(32(4)6-2)71-53(85)40-20-14-22-72(40)44(77)29-62-42(75)27-64-49(81)37(24-34-17-11-8-12-18-34)66-43(76)28-65-50(82)39(30-73)69-48(80)35(57)23-33-15-9-7-10-16-33/h7,9-10,15-16,31-32,34-40,46-47,73H,5-6,8,11-14,17-30,57H2,1-4H3,(H2,58,74)(H,62,75)(H,63,86)(H,64,81)(H,65,82)(H,66,76)(H,67,84)(H,68,87)(H,69,80)(H,70,83)(H,71,85)(H,78,79)(H4,59,60,61)/t31-,32-,35+,36-,37-,38-,39-,40-,46-,47-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd Curated by ChEMBL					Assay Description Displacement of [125I]-human ANP from human NPR-1 incubated for 2 hrs by top count method				Bioorg Med Chem Lett 27: 3542-3545 (2017) Article DOI: 10.1016/j.bmcl.2017.05.061 BindingDB Entry DOI: 10.7270/Q2F19241
					More data for this Ligand-Target Pair
Atrial natriuretic peptide receptor 3 (Homo sapiens (Human))	BDBM50254094 (CHEMBL4076904) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)CNC(=O)[C@H](CC1CCCCC1)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](N)Cc1ccccc1)[C@@H](C)CC)C(=O)NCC(N)=O |r| Show InChI InChI=1S/C56H90N16O15/c1-5-31(3)46(54(86)63-26-41(58)74)70-51(83)36(19-13-21-61-56(59)60)67-52(84)38(25-45(78)79)68-55(87)47(32(4)6-2)71-53(85)40-20-14-22-72(40)44(77)29-62-42(75)27-64-49(81)37(24-34-17-11-8-12-18-34)66-43(76)28-65-50(82)39(30-73)69-48(80)35(57)23-33-15-9-7-10-16-33/h7,9-10,15-16,31-32,34-40,46-47,73H,5-6,8,11-14,17-30,57H2,1-4H3,(H2,58,74)(H,62,75)(H,63,86)(H,64,81)(H,65,82)(H,66,76)(H,67,84)(H,68,87)(H,69,80)(H,70,83)(H,71,85)(H,78,79)(H4,59,60,61)/t31-,32-,35+,36-,37-,38-,39-,40-,46-,47-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.120	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd Curated by ChEMBL					Assay Description Displacement of [125I]-human ANP from His-tagged and Fc fragment containing human NPR-3 extracellular domain expressed in FreeStyle 293 cells incubat...				Bioorg Med Chem Lett 27: 3542-3545 (2017) Article DOI: 10.1016/j.bmcl.2017.05.061 BindingDB Entry DOI: 10.7270/Q2F19241
					More data for this Ligand-Target Pair