BDBM50254096 CHEMBL4099663

SMILES: CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)NC)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)CNC(=O)[C@@H](C)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H]1C[C@H](O)CN1C(=O)[C@H](CO)NC(=O)[C@@H](Cc1ccccc1)NC(C)=O)[C@@H](C)CC)C(=O)NC

InChI Key: InChIKey=NUWPCCBCOLABRF-WECPNSDLSA-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 = 50254096   

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))	BDBM50254096 (CHEMBL4099663) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)NC)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)CNC(=O)[C@@H](C)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H]1C[C@H](O)CN1C(=O)[C@H](CO)NC(=O)[C@@H](Cc1ccccc1)NC(C)=O)[C@@H](C)CC)C(=O)NC |r| Show InChI InChI=1S/C62H99N15O17/c1-9-33(3)50(59(92)64-7)74-53(86)41(22-17-23-66-62(63)65-8)70-56(89)44(28-49(83)84)72-60(93)51(34(4)10-2)75-58(91)46-26-39(80)30-76(46)48(82)29-67-52(85)35(5)68-54(87)43(25-38-20-15-12-16-21-38)71-57(90)47-27-40(81)31-77(47)61(94)45(32-78)73-55(88)42(69-36(6)79)24-37-18-13-11-14-19-37/h11,13-14,18-19,33-35,38-47,50-51,78,80-81H,9-10,12,15-17,20-32H2,1-8H3,(H,64,92)(H,67,85)(H,68,87)(H,69,79)(H,70,89)(H,71,90)(H,72,93)(H,73,88)(H,74,86)(H,75,91)(H,83,84)(H3,63,65,66)/t33-,34-,35+,39+,40-,41-,42+,43-,44-,45-,46-,47+,50-,51-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG 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))	BDBM50254096 (CHEMBL4099663) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)NC)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)CNC(=O)[C@@H](C)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H]1C[C@H](O)CN1C(=O)[C@H](CO)NC(=O)[C@@H](Cc1ccccc1)NC(C)=O)[C@@H](C)CC)C(=O)NC |r| Show InChI InChI=1S/C62H99N15O17/c1-9-33(3)50(59(92)64-7)74-53(86)41(22-17-23-66-62(63)65-8)70-56(89)44(28-49(83)84)72-60(93)51(34(4)10-2)75-58(91)46-26-39(80)30-76(46)48(82)29-67-52(85)35(5)68-54(87)43(25-38-20-15-12-16-21-38)71-57(90)47-27-40(81)31-77(47)61(94)45(32-78)73-55(88)42(69-36(6)79)24-37-18-13-11-14-19-37/h11,13-14,18-19,33-35,38-47,50-51,78,80-81H,9-10,12,15-17,20-32H2,1-8H3,(H,64,92)(H,67,85)(H,68,87)(H,69,79)(H,70,89)(H,71,90)(H,72,93)(H,73,88)(H,74,86)(H,75,91)(H,83,84)(H3,63,65,66)/t33-,34-,35+,39+,40-,41-,42+,43-,44-,45-,46-,47+,50-,51-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0990	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