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SMILES: COc1nc(N)ncc1-c1cc2C(=O)N(C(c2n1C(C)C)c1ccc(Cl)cc1)[C@H]1CC[C@H](O)CC1

InChI Key: InChIKey=DKZAVKJTJZOTNQ-IQHDZCMKSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 236315   

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
Cellular tumor antigen p53 [18-26]/E3 ubiquitin-protein ligase Mdm2 [2-188] (Homo sapiens (Human))	BDBM236315 (US9365576, 68) Show SMILES COc1nc(N)ncc1-c1cc2C(=O)N(C(c2n1C(C)C)c1ccc(Cl)cc1)[C@H]1CC[C@H](O)CC1 |r,wU:31.35,wD:28.31,(4.68,5.6,;3.91,4.26,;4.68,2.93,;6.22,2.93,;6.99,1.6,;8.53,1.6,;6.22,.26,;4.68,.26,;3.91,1.6,;2.37,1.6,;1.46,2.84,;,2.37,;-1.46,2.84,;-2.23,4.18,;-2.37,1.6,;-1.46,.35,;,.83,;1.46,.35,;1.86,-1.14,;.77,-2.22,;3.35,-1.53,;-1.86,-1.14,;-3.35,-1.53,;-3.75,-3.02,;-2.66,-4.11,;-3.06,-5.6,;-1.17,-3.71,;-.77,-2.22,;-3.91,1.6,;-4.68,2.93,;-6.22,2.93,;-6.99,1.6,;-8.53,1.6,;-6.22,.26,;-4.68,.26,)| Show InChI InChI=1S/C26H30ClN5O3/c1-14(2)31-21(20-13-29-26(28)30-24(20)35-3)12-19-23(31)22(15-4-6-16(27)7-5-15)32(25(19)34)17-8-10-18(33)11-9-17/h4-7,12-14,17-18,22,33H,8-11H2,1-3H3,(H2,28,29,30)/t17-,18-,22?	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	12.6	n/a	n/a	n/a	n/a	n/a	25
Novartis AG US Patent					Assay Description Assay 1: The test is performed in white 384-well plates (Greiner Bio-One, reference 781207) in a total volume of 60 μL by adding 1 μL of compou...				US Patent US9365576 (2016) BindingDB Entry DOI: 10.7270/Q2DN43XR
					More data for this Ligand-Target Pair
Cellular tumor antigen p53 [18-26]/E3 ubiquitin-protein ligase Mdm2 [2-188] (Homo sapiens (Human))	BDBM236315 (US9365576, 68) Show SMILES COc1nc(N)ncc1-c1cc2C(=O)N(C(c2n1C(C)C)c1ccc(Cl)cc1)[C@H]1CC[C@H](O)CC1 |r,wU:31.35,wD:28.31,(4.68,5.6,;3.91,4.26,;4.68,2.93,;6.22,2.93,;6.99,1.6,;8.53,1.6,;6.22,.26,;4.68,.26,;3.91,1.6,;2.37,1.6,;1.46,2.84,;,2.37,;-1.46,2.84,;-2.23,4.18,;-2.37,1.6,;-1.46,.35,;,.83,;1.46,.35,;1.86,-1.14,;.77,-2.22,;3.35,-1.53,;-1.86,-1.14,;-3.35,-1.53,;-3.75,-3.02,;-2.66,-4.11,;-3.06,-5.6,;-1.17,-3.71,;-.77,-2.22,;-3.91,1.6,;-4.68,2.93,;-6.22,2.93,;-6.99,1.6,;-8.53,1.6,;-6.22,.26,;-4.68,.26,)| Show InChI InChI=1S/C26H30ClN5O3/c1-14(2)31-21(20-13-29-26(28)30-24(20)35-3)12-19-23(31)22(15-4-6-16(27)7-5-15)32(25(19)34)17-8-10-18(33)11-9-17/h4-7,12-14,17-18,22,33H,8-11H2,1-3H3,(H2,28,29,30)/t17-,18-,22?	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	14.2	n/a	n/a	n/a	n/a	n/a	25
Novartis AG US Patent					Assay Description Assay 2: The test is performed in white 384-well plates (Greiner Bio-One, reference 781207) in a total volume of 60 μL by adding 1 μL of compou...				US Patent US9365576 (2016) BindingDB Entry DOI: 10.7270/Q2DN43XR
					More data for this Ligand-Target Pair
Cellular tumor antigen p53 [18-26]/Protein Mdm4 [2-185] (Homo sapiens (Human))	BDBM236315 (US9365576, 68) Show SMILES COc1nc(N)ncc1-c1cc2C(=O)N(C(c2n1C(C)C)c1ccc(Cl)cc1)[C@H]1CC[C@H](O)CC1 |r,wU:31.35,wD:28.31,(4.68,5.6,;3.91,4.26,;4.68,2.93,;6.22,2.93,;6.99,1.6,;8.53,1.6,;6.22,.26,;4.68,.26,;3.91,1.6,;2.37,1.6,;1.46,2.84,;,2.37,;-1.46,2.84,;-2.23,4.18,;-2.37,1.6,;-1.46,.35,;,.83,;1.46,.35,;1.86,-1.14,;.77,-2.22,;3.35,-1.53,;-1.86,-1.14,;-3.35,-1.53,;-3.75,-3.02,;-2.66,-4.11,;-3.06,-5.6,;-1.17,-3.71,;-.77,-2.22,;-3.91,1.6,;-4.68,2.93,;-6.22,2.93,;-6.99,1.6,;-8.53,1.6,;-6.22,.26,;-4.68,.26,)| Show InChI InChI=1S/C26H30ClN5O3/c1-14(2)31-21(20-13-29-26(28)30-24(20)35-3)12-19-23(31)22(15-4-6-16(27)7-5-15)32(25(19)34)17-8-10-18(33)11-9-17/h4-7,12-14,17-18,22,33H,8-11H2,1-3H3,(H2,28,29,30)/t17-,18-,22?	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.86E+3	n/a	n/a	n/a	n/a	n/a	25
Novartis AG US Patent					Assay Description Assay 1: The test is performed in white 384-well plates (Greiner Bio-One, reference 781207) in a total volume of 60 μL by adding 1 μL of compou...				US Patent US9365576 (2016) BindingDB Entry DOI: 10.7270/Q2DN43XR
					More data for this Ligand-Target Pair