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BDBM50112973 CHEMBL418579::Phosphoric acid mono-[4-((S)-2-acetylamino-2-{(4S,7S)-4-[(adamantan-1-ylmethyl)-carbamoyl]-6,10-dioxo-octahydro-pyridazino[1,2-a][1,2]diazepin-7-ylcarbamoyl}-ethyl)-phenyl] ester

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)NCC12CC3CC(CC(C3)C1)C2

InChI Key: InChIKey=FNZUOGWNBIQBRN-KKRMISSOSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50112973   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Tyrosine-protein kinase Lck


(Homo sapiens (Human))		BDBM50112973
PNG
(CHEMBL418579 | Phosphoric acid mono-[4-((S)-2-acet...)
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)NCC12CC3CC(CC(C3)C1)C2 |TLB:40:41:45:39.38.44,THB:42:41:38:43.45.44,42:43:38:41.46.40,40:39:45:41.46.42|
Show InChI InChI=1S/C32H44N5O9P/c1-19(38)34-26(14-20-4-6-24(7-5-20)46-47(43,44)45)29(40)35-25-8-9-28(39)36-10-2-3-27(37(36)31(25)42)30(41)33-18-32-15-21-11-22(16-32)13-23(12-21)17-32/h4-7,21-23,25-27H,2-3,8-18H2,1H3,(H,33,41)(H,34,38)(H,35,40)(H2,43,44,45)/t21?,22?,23?,25-,26-,27-,32?/m0/s1
PDB

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UniProtKB/TrEMBL

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PC sid
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Similars
PubMed
n/an/a 1.10E+3n/an/an/an/an/an/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