BDBM14693 ({4-[(2S)-2-acetamido-2-{[(3S)-2-oxo-1-[(4-phenylphenyl)methyl]azepan-3-yl]carbamoyl}ethyl]phenyl}difluoromethyl)phosphonic acid::N-alpha-acetyl-N-[(3S)-1-(biphenyl-4-ylmethyl)-2-oxoazepan-3-yl]-4-[difluoro(phosphono)methyl]-L-phenylalaninamide::RU82209::inhibitor 5

SMILES: CC(=O)N[C@@H](Cc1ccc(cc1)C(F)(F)P(O)(O)=O)C(=O)N[C@H]1CCCCN(Cc2ccc(cc2)-c2ccccc2)C1=O

InChI Key: InChIKey=LVZDQVATAQEMCX-NSOVKSMOSA-N

Data: 2 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 2 hits for monomerid = 14693   

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
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM14693 (({4-[(2S)-2-acetamido-2-{[(3S)-2-oxo-1-[(4-phenylp...) Show SMILES CC(=O)N[C@@H](Cc1ccc(cc1)C(F)(F)P(O)(O)=O)C(=O)N[C@H]1CCCCN(Cc2ccc(cc2)-c2ccccc2)C1=O |r| Show InChI InChI=1S/C31H34F2N3O6P/c1-21(37)34-28(19-22-12-16-26(17-13-22)31(32,33)43(40,41)42)29(38)35-27-9-5-6-18-36(30(27)39)20-23-10-14-25(15-11-23)24-7-3-2-4-8-24/h2-4,7-8,10-17,27-28H,5-6,9,18-20H2,1H3,(H,34,37)(H,35,38)(H2,40,41,42)/t27-,28-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	PDB PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharma Curated by ChEMBL					Assay Description Inhibitory concentration against SH2 domain of human p60 Src tyrosine kinase				J Med Chem 45: 2915-22 (2002) BindingDB Entry DOI: 10.7270/Q2ZW1MNM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Proto-oncogene tyrosine-protein kinase Src (aa 145-252) (Homo sapiens (Human))	BDBM14693 (({4-[(2S)-2-acetamido-2-{[(3S)-2-oxo-1-[(4-phenylp...) Show SMILES CC(=O)N[C@@H](Cc1ccc(cc1)C(F)(F)P(O)(O)=O)C(=O)N[C@H]1CCCCN(Cc2ccc(cc2)-c2ccccc2)C1=O |r| Show InChI InChI=1S/C31H34F2N3O6P/c1-21(37)34-28(19-22-12-16-26(17-13-22)31(32,33)43(40,41)42)29(38)35-27-9-5-6-18-36(30(27)39)20-23-10-14-25(15-11-23)24-7-3-2-4-8-24/h2-4,7-8,10-17,27-28H,5-6,9,18-20H2,1H3,(H,34,37)(H,35,38)(H2,40,41,42)/t27-,28-/m0/s1	PDB MMDB B.MOAD DrugBank GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharma					Assay Description SPA uses 125I as energy donor and scintillant-coated beads as energy acceptor. The labeled ligand is captured by the biotinylated Src-SH2 protein imm...				J Med Chem 46: 5184-95 (2003) Article DOI: 10.1021/jm020970s BindingDB Entry DOI: 10.7270/Q2XW4H14
					More data for this Ligand-Target Pair				3D Structure (crystal)