BDBM50085877 CHEMBL355066::N-[(S)-1-{1-[(S)-2-Carbamoyl-1-(3-naphthalen-1-yl-propylcarbamoyl)-ethylcarbamoyl]-cyclohexylcarbamoyl}-2-(4-carboxymethyl-phenyl)-ethyl]-oxalamic acid::N-[1-{(S)-1-[(S)-2-Carbamoyl-1-(3-naphthalen-1-yl-propylcarbamoyl)-ethylcarbamoyl]-cyclohexylcarbamoyl}-2-(4-carboxymethyl-phenyl)-ethyl]-oxalamic acid::N-[1-{1-[2-Carbamoyl-1-(3-naphthalen-1-yl-propylcarbamoyl)-ethylcarbamoyl]-cyclohexylcarbamoyl}-2-(4-carboxymethyl-phenyl)-ethyl]-oxalamic acid

SMILES: NC(=O)C[C@H](NC(=O)C1(CCCCC1)NC(=O)[C@H](Cc1ccc(CC(O)=O)cc1)NC(=O)C(O)=O)C(=O)NCCCc1cccc2ccccc12

InChI Key: InChIKey=XYXSUXVWOJXCIE-VMPREFPWSA-N

Data: 4 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 4 hits for monomerid = 50085877   

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))	BDBM50085877 (CHEMBL355066 | N-[(S)-1-{1-[(S)-2-Carbamoyl-1-(3-n...) Show SMILES NC(=O)C[C@H](NC(=O)C1(CCCCC1)NC(=O)[C@H](Cc1ccc(CC(O)=O)cc1)NC(=O)C(O)=O)C(=O)NCCCc1cccc2ccccc12 Show InChI InChI=1S/C37H43N5O9/c38-30(43)22-29(32(46)39-19-7-11-26-10-6-9-25-8-2-3-12-27(25)26)41-36(51)37(17-4-1-5-18-37)42-33(47)28(40-34(48)35(49)50)20-23-13-15-24(16-14-23)21-31(44)45/h2-3,6,8-10,12-16,28-29H,1,4-5,7,11,17-22H2,(H2,38,43)(H,39,46)(H,40,48)(H,41,51)(H,42,47)(H,44,45)(H,49,50)/t28-,29-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Inhibition of Grb2 SH2 domain binding				J Med Chem 48: 5369-72 (2005) Article DOI: 10.1021/jm050154v BindingDB Entry DOI: 10.7270/Q2513XRP
					More data for this Ligand-Target Pair
Grb2-SH2 (Homo sapiens (Human))	BDBM50085877 (CHEMBL355066 | N-[(S)-1-{1-[(S)-2-Carbamoyl-1-(3-n...) Show SMILES NC(=O)C[C@H](NC(=O)C1(CCCCC1)NC(=O)[C@H](Cc1ccc(CC(O)=O)cc1)NC(=O)C(O)=O)C(=O)NCCCc1cccc2ccccc12 Show InChI InChI=1S/C37H43N5O9/c38-30(43)22-29(32(46)39-19-7-11-26-10-6-9-25-8-2-3-12-27(25)26)41-36(51)37(17-4-1-5-18-37)42-33(47)28(40-34(48)35(49)50)20-23-13-15-24(16-14-23)21-31(44)45/h2-3,6,8-10,12-16,28-29H,1,4-5,7,11,17-22H2,(H2,38,43)(H,39,46)(H,40,48)(H,41,51)(H,42,47)(H,44,45)(H,49,50)/t28-,29-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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
National Cancer Institute Curated by ChEMBL					Assay Description Inhibition of Grb2 SH2 domain binding in ELISA				J Med Chem 48: 5369-72 (2005) Article DOI: 10.1021/jm050154v BindingDB Entry DOI: 10.7270/Q2513XRP
					More data for this Ligand-Target Pair
Grb2-SH2 (Homo sapiens (Human))	BDBM50085877 (CHEMBL355066 | N-[(S)-1-{1-[(S)-2-Carbamoyl-1-(3-n...) Show SMILES NC(=O)C[C@H](NC(=O)C1(CCCCC1)NC(=O)[C@H](Cc1ccc(CC(O)=O)cc1)NC(=O)C(O)=O)C(=O)NCCCc1cccc2ccccc12 Show InChI InChI=1S/C37H43N5O9/c38-30(43)22-29(32(46)39-19-7-11-26-10-6-9-25-8-2-3-12-27(25)26)41-36(51)37(17-4-1-5-18-37)42-33(47)28(40-34(48)35(49)50)20-23-13-15-24(16-14-23)21-31(44)45/h2-3,6,8-10,12-16,28-29H,1,4-5,7,11,17-22H2,(H2,38,43)(H,39,46)(H,40,48)(H,41,51)(H,42,47)(H,44,45)(H,49,50)/t28-,29-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	600	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 binding in plasmon resonance assay				Bioorg Med Chem Lett 10: 923-7 (2000) BindingDB Entry DOI: 10.7270/Q2W0956V
					More data for this Ligand-Target Pair
Grb2-SH2 (Homo sapiens (Human))	BDBM50085877 (CHEMBL355066 | N-[(S)-1-{1-[(S)-2-Carbamoyl-1-(3-n...) Show SMILES NC(=O)C[C@H](NC(=O)C1(CCCCC1)NC(=O)[C@H](Cc1ccc(CC(O)=O)cc1)NC(=O)C(O)=O)C(=O)NCCCc1cccc2ccccc12 Show InChI InChI=1S/C37H43N5O9/c38-30(43)22-29(32(46)39-19-7-11-26-10-6-9-25-8-2-3-12-27(25)26)41-36(51)37(17-4-1-5-18-37)42-33(47)28(40-34(48)35(49)50)20-23-13-15-24(16-14-23)21-31(44)45/h2-3,6,8-10,12-16,28-29H,1,4-5,7,11,17-22H2,(H2,38,43)(H,39,46)(H,40,48)(H,41,51)(H,42,47)(H,44,45)(H,49,50)/t28-,29-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.00E+3	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 binding by ELISA assay method				J Med Chem 43: 911-20 (2000) BindingDB Entry DOI: 10.7270/Q2WD3ZRD
					More data for this Ligand-Target Pair