BDBM209910 US9273014, Comparative Compound 46::US9427442, Comparative Compound 27

SMILES: CC(C)C[C@H]([C@H](CC=C)C(N)=O)C(=O)N[C@H]1N=C(c2ccccc2)c2cc(Cl)ccc2N(C)C1=O

InChI Key: InChIKey=NFSUDFPUVQNBSA-WZOHSFFVSA-N

Data: 4 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 4 hits for monomerid = 209910   

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
Notch 1-CBF1 (Homo sapiens (Human))	BDBM209910 (US9273014, Comparative Compound 46 | US9427442, Co...) Show SMILES CC(C)C[C@H]([C@H](CC=C)C(N)=O)C(=O)N[C@H]1N=C(c2ccccc2)c2cc(Cl)ccc2N(C)C1=O |r,t:16| Show InChI InChI=1S/C27H31ClN4O3/c1-5-9-19(24(29)33)20(14-16(2)3)26(34)31-25-27(35)32(4)22-13-12-18(28)15-21(22)23(30-25)17-10-7-6-8-11-17/h5-8,10-13,15-16,19-20,25H,1,9,14H2,2-4H3,(H2,29,33)(H,31,34)/t19-,20+,25+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	42.4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The Notch-CBF1 (C-promoter binding factor I) cell based transactivation assay is based on the ability of the released Notch intracellular domain frag...				US Patent US9273014 (2016) BindingDB Entry DOI: 10.7270/Q2KW5DVX
					More data for this Ligand-Target Pair
Notch 3-CBF1 (Homo sapiens (Human))	BDBM209910 (US9273014, Comparative Compound 46 | US9427442, Co...) Show SMILES CC(C)C[C@H]([C@H](CC=C)C(N)=O)C(=O)N[C@H]1N=C(c2ccccc2)c2cc(Cl)ccc2N(C)C1=O |r,t:16| Show InChI InChI=1S/C27H31ClN4O3/c1-5-9-19(24(29)33)20(14-16(2)3)26(34)31-25-27(35)32(4)22-13-12-18(28)15-21(22)23(30-25)17-10-7-6-8-11-17/h5-8,10-13,15-16,19-20,25H,1,9,14H2,2-4H3,(H2,29,33)(H,31,34)/t19-,20+,25+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	74.5	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The Notch-CBF1 (C-promoter binding factor I) cell based transactivation assay is based on the ability of the released Notch intracellular domain frag...				US Patent US9427442 (2016) BindingDB Entry DOI: 10.7270/Q2ZP452P
					More data for this Ligand-Target Pair
Notch 1-CBF1 (Homo sapiens (Human))	BDBM209910 (US9273014, Comparative Compound 46 | US9427442, Co...) Show SMILES CC(C)C[C@H]([C@H](CC=C)C(N)=O)C(=O)N[C@H]1N=C(c2ccccc2)c2cc(Cl)ccc2N(C)C1=O |r,t:16| Show InChI InChI=1S/C27H31ClN4O3/c1-5-9-19(24(29)33)20(14-16(2)3)26(34)31-25-27(35)32(4)22-13-12-18(28)15-21(22)23(30-25)17-10-7-6-8-11-17/h5-8,10-13,15-16,19-20,25H,1,9,14H2,2-4H3,(H2,29,33)(H,31,34)/t19-,20+,25+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	42.4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The Notch-CBF1 (C-promoter binding factor I) cell based transactivation assay is based on the ability of the released Notch intracellular domain frag...				US Patent US9427442 (2016) BindingDB Entry DOI: 10.7270/Q2ZP452P
					More data for this Ligand-Target Pair
Notch 3-CBF1 (Homo sapiens (Human))	BDBM209910 (US9273014, Comparative Compound 46 | US9427442, Co...) Show SMILES CC(C)C[C@H]([C@H](CC=C)C(N)=O)C(=O)N[C@H]1N=C(c2ccccc2)c2cc(Cl)ccc2N(C)C1=O |r,t:16| Show InChI InChI=1S/C27H31ClN4O3/c1-5-9-19(24(29)33)20(14-16(2)3)26(34)31-25-27(35)32(4)22-13-12-18(28)15-21(22)23(30-25)17-10-7-6-8-11-17/h5-8,10-13,15-16,19-20,25H,1,9,14H2,2-4H3,(H2,29,33)(H,31,34)/t19-,20+,25+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	74.5	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The Notch-CBF1 (C-promoter binding factor I) cell based transactivation assay is based on the ability of the released Notch intracellular domain frag...				US Patent US9273014 (2016) BindingDB Entry DOI: 10.7270/Q2KW5DVX
					More data for this Ligand-Target Pair