BDBM50112980 (1R,3R)-3-({(1S,9S)-9-[(S)-2-Acetylamino-3-(4-phosphonooxy-phenyl)-propionylamino]-6,10-dioxo-octahydro-pyridazino[1,2-a][1,2]diazepine-1-carbonyl}-amino)-indan-1-carboxylic acid::CHEMBL418026

SMILES: CC(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)N[C@H]1CCC(=O)N2CCC[C@H](N2C1=O)C(=O)N[C@@H]1C[C@@H](C(O)=O)c2ccccc12

InChI Key: InChIKey=ZRSSYTCHISOZBJ-NRWDCXGPSA-N

Data: 1 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 1 hit for monomerid = 50112980   

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
Tyrosine-protein kinase Lck (Homo sapiens (Human))	BDBM50112980 ((1R,3R)-3-({(1S,9S)-9-[(S)-2-Acetylamino-3-(4-phos...) Show SMILES CC(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)N[C@H]1CCC(=O)N2CCC[C@H](N2C1=O)C(=O)N[C@@H]1C[C@@H](C(O)=O)c2ccccc12 Show InChI InChI=1S/C31H36N5O11P/c1-17(37)32-25(15-18-8-10-19(11-9-18)47-48(44,45)46)28(39)33-23-12-13-27(38)35-14-4-7-26(36(35)30(23)41)29(40)34-24-16-22(31(42)43)20-5-2-3-6-21(20)24/h2-3,5-6,8-11,22-26H,4,7,12-16H2,1H3,(H,32,37)(H,33,39)(H,34,40)(H,42,43)(H2,44,45,46)/t22-,23+,24-,25+,26+/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Roche Products Limited Curated by ChEMBL					Assay Description Inhibitory activity towards p56 Lck tyrosine kinase SH2 domain using scintillation proximity assay (SPA)				Bioorg Med Chem Lett 12: 1365-9 (2002) BindingDB Entry DOI: 10.7270/Q20002MH
					More data for this Ligand-Target Pair