BDBM50102025 4-[(10S,14S,18S)-18-(2-AMINO-2-OXOETHYL)-14-(1-NAPHTHYLMETHYL)-8,17,20-TRIOXO-7,16,19-TRIAZASPIRO[5.14]ICOS-11-EN-10-YL]BENZYLPHOSPHONIC ACID::CHEMBL291678::[(R)-4-((E)-(S)-18-Carbamoylmethyl-14-naphthalen-1-ylmethyl-8,20-dioxo-17-(S)-oxo-7,16,19-triaza-spiro[5.14]icos-11-en-10-yl)-benzyl]-phosphonic acid::[4-((10R,16S)-18-(S)-1-Carbamoylmethyl-14-naphthalen-1-ylmethyl-8,17,20-trioxo-7,16,19-triaza-spiro[5.14]icos-11-en-10-yl)-benzyl]-phosphonic acid::[4-(18-Carbamoylmethyl-14-naphthalen-1-ylmethyl-8,17,20-trioxo-7,16,19-triaza-spiro[5.14]icos-11-en-10-yl)-benzyl]-phosphonic acid

SMILES: NC(=O)C[C@@H]1NC(=O)C2(CCCCC2)NC(=O)C[C@H](\C=C\C[C@@H](Cc2cccc3ccccc23)CNC1=O)c1ccc(CP(O)(O)=O)cc1

InChI Key: InChIKey=RHYFMOCFCFUTNH-GZNVFMSSSA-N

Data: 3 IC50

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 3 hits for monomerid = 50102025   

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
Grb2-SH2 (Homo sapiens (Human))	BDBM50102025 (4-[(10S,14S,18S)-18-(2-AMINO-2-OXOETHYL)-14-(1-NAP...) Show SMILES NC(=O)C[C@@H]1NC(=O)C2(CCCCC2)NC(=O)C[C@H](\C=C\C[C@@H](Cc2cccc3ccccc23)CNC1=O)c1ccc(CP(O)(O)=O)cc1 |t:20| Show InChI InChI=1S/C37H45N4O7P/c38-33(42)22-32-35(44)39-23-26(20-30-12-7-10-28-9-2-3-13-31(28)30)8-6-11-29(27-16-14-25(15-17-27)24-49(46,47)48)21-34(43)41-37(36(45)40-32)18-4-1-5-19-37/h2-3,6-7,9-17,26,29,32H,1,4-5,8,18-24H2,(H2,38,42)(H,39,44)(H,40,45)(H,41,43)(H2,46,47,48)/b11-6+/t26-,29-,32-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
National Institutes of Health Curated by ChEMBL					Assay Description Inhibition of Growth factor receptor bound protein 2 SH2 domain binding in ELISA				Bioorg Med Chem Lett 11: 1889-92 (2001) BindingDB Entry DOI: 10.7270/Q2BV7FW1
					More data for this Ligand-Target Pair				3D Structure (crystal)
Grb2-SH2 (Homo sapiens (Human))	BDBM50102025 (4-[(10S,14S,18S)-18-(2-AMINO-2-OXOETHYL)-14-(1-NAP...) Show SMILES NC(=O)C[C@@H]1NC(=O)C2(CCCCC2)NC(=O)C[C@H](\C=C\C[C@@H](Cc2cccc3ccccc23)CNC1=O)c1ccc(CP(O)(O)=O)cc1 |t:20| Show InChI InChI=1S/C37H45N4O7P/c38-33(42)22-32-35(44)39-23-26(20-30-12-7-10-28-9-2-3-13-31(28)30)8-6-11-29(27-16-14-25(15-17-27)24-49(46,47)48)21-34(43)41-37(36(45)40-32)18-4-1-5-19-37/h2-3,6-7,9-17,26,29,32H,1,4-5,8,18-24H2,(H2,38,42)(H,39,44)(H,40,45)(H,41,43)(H2,46,47,48)/b11-6+/t26-,29-,32-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description In vitro binding affinity in extracellular ELISA-based assay for Grb2 SH2 domain				J Med Chem 47: 788-91 (2004) Article DOI: 10.1021/jm030440b BindingDB Entry DOI: 10.7270/Q2XD114Q
					More data for this Ligand-Target Pair				3D Structure (crystal)
Grb2-SH2 (Homo sapiens (Human))	BDBM50102025 (4-[(10S,14S,18S)-18-(2-AMINO-2-OXOETHYL)-14-(1-NAP...) Show SMILES NC(=O)C[C@@H]1NC(=O)C2(CCCCC2)NC(=O)C[C@H](\C=C\C[C@@H](Cc2cccc3ccccc23)CNC1=O)c1ccc(CP(O)(O)=O)cc1 |t:20| Show InChI InChI=1S/C37H45N4O7P/c38-33(42)22-32-35(44)39-23-26(20-30-12-7-10-28-9-2-3-13-31(28)30)8-6-11-29(27-16-14-25(15-17-27)24-49(46,47)48)21-34(43)41-37(36(45)40-32)18-4-1-5-19-37/h2-3,6-7,9-17,26,29,32H,1,4-5,8,18-24H2,(H2,38,42)(H,39,44)(H,40,45)(H,41,43)(H2,46,47,48)/b11-6+/t26-,29-,32-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Inhibition of Growth factor receptor bound protein 2 SH2 domain in extracellular binding assay				J Med Chem 46: 2621-30 (2003) Article DOI: 10.1021/jm030049q BindingDB Entry DOI: 10.7270/Q2C828PT
					More data for this Ligand-Target Pair				3D Structure (crystal)