BDBM225240 3,5-Difluoro-N-(2-phenylbenzo[d]oxazol-6-yl)benzenesulfonamide (1)::PLCγ1-pep

SMILES: CC(C)[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(O)=O

InChI Key: InChIKey=VUCVFXXCAPKQPN-CKESHLIUNA-N

Data: 1 IC50  2 ITC

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 = 225240   

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
Protein G9a (G9a) (Homo sapiens (Human))	BDBM225240 (3,5-Difluoro-N-(2-phenylbenzo[d]oxazol-6-yl)benzen...) Show SMILES CC(C)[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(O)=O Show InChI InChI=1/C46H64N11O18P/c1-23(2)38(44(68)53-29(15-16-37(61)62)40(64)51-24(3)39(63)55-32(46(70)71)21-35(49)59)56-42(66)31(19-26-11-13-27(14-12-26)75-76(72,73)74)54-41(65)30(18-25-8-5-4-6-9-25)52-36(60)22-50-43(67)33-10-7-17-57(33)45(69)28(47)20-34(48)58/h4-6,8-9,11-14,23-24,28-33,38H,7,10,15-22,47H2,1-3H3,(H2,48,58)(H2,49,59)(H,50,67)(H,51,64)(H,52,60)(H,53,68)(H,54,65)(H,55,63)(H,56,66)(H,61,62)(H,70,71)(H2,72,73,74)/t24-,28-,29-,30-,31-,32-,33-,38-/s2	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.32E+4	n/a	n/a	n/a	n/a	8.5	25
Shenyang Pharmaceutical University					Assay Description Biochemical activity of G9a was measured as described [Kubicek et al., Mol. Cell, 25:473-481]. Assays were performed in white, opaque 384-well plates...				Bioorg Chem 72: 168-181 (2017) Article DOI: 10.1016/j.bioorg.2017.04.005 BindingDB Entry DOI: 10.7270/Q2T152HV
					More data for this Ligand-Target Pair

Activity Spreadsheet -- ITC Data from BindingDB

Found 2 hits for monomerid = 225240

Cell (A)	Syringe (B)	Cell Links	Syringe Links	Cell + Syr Links	ΔG° kcal/mole	-TΔS° kcal/mole	ΔH° kcal/mole	log K	pH	Temp °C
Phospholipase C-γ1 SH2 domain (PLCC) (Homo sapiens (Human))	BDBM225240 (3,5-Difluoro-N-(2-phenylbenzo[d]oxazol-6-yl)benzen...)	GoogleScholar PDB	KEGG PC cid PC sid		-12.7	0.527	-9.22	9.34	7.40	25
University of Colorado Boulder					Biochemistry 56: 2225-2237 (2017)
Phospholipase C-γ1 SH2 domain (PLCC_R716E) (Homo sapiens (Human))	BDBM225240 (3,5-Difluoro-N-(2-phenylbenzo[d]oxazol-6-yl)benzen...)	GoogleScholar PDB	KEGG PC cid PC sid		-11.1	n/a	n/a	8.11	7.40	25
University of Colorado Boulder					Biochemistry 56: 2225-2237 (2017)