BDBM378464 2-oxo-N-((1R,3r,5S)-8-((piperidin-4-ylmethyl)sulfonyl)-8-azabicyclo[3.2.1]octan-3-yl)indoline-5-carboxamide::US10266526, Compound 597

SMILES: O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)CC1CCNCC1)c1ccc2NC(=O)Cc2c1

InChI Key: InChIKey=GDJSWNQZBLUXAE-REPLKXPHSA-N

Data: 3 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 3 hits for monomerid = 378464   

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
Histone-lysine N-methyltransferase SMYD3 (Homo sapiens (Human))	BDBM378464 (2-oxo-N-((1R,3r,5S)-8-((piperidin-4-ylmethyl)sulfo...) Show SMILES O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)CC1CCNCC1)c1ccc2NC(=O)Cc2c1 |r,TLB:11:10:7.6:4.3.9| Show InChI InChI=1S/C22H30N4O4S/c27-21-10-16-9-15(1-4-20(16)25-21)22(28)24-17-11-18-2-3-19(12-17)26(18)31(29,30)13-14-5-7-23-8-6-14/h1,4,9,14,17-19,23H,2-3,5-8,10-13H2,(H,24,28)(H,25,27)/t17-,18+,19-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.98	n/a	n/a	n/a	n/a	n/a	n/a
ENSCMu					Assay Description The assays were all performed in a buffer consisting of 25 mM Tris-Cl pH 8.0, 1 mM TCEP, 0.005% BSG, and 0.005% Tween 20, prepared on the day of use....				Bioorg Med Chem 14: 7241-57 (2006) BindingDB Entry DOI: 10.7270/Q2DJ5HX2
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase SMYD3 (Homo sapiens (Human))	BDBM378464 (2-oxo-N-((1R,3r,5S)-8-((piperidin-4-ylmethyl)sulfo...) Show SMILES O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)CC1CCNCC1)c1ccc2NC(=O)Cc2c1 |r,TLB:11:10:7.6:4.3.9| Show InChI InChI=1S/C22H30N4O4S/c27-21-10-16-9-15(1-4-20(16)25-21)22(28)24-17-11-18-2-3-19(12-17)26(18)31(29,30)13-14-5-7-23-8-6-14/h1,4,9,14,17-19,23H,2-3,5-8,10-13H2,(H,24,28)(H,25,27)/t17-,18+,19-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Epizyme Inc. Curated by ChEMBL					Assay Description Inhibition of human SMYD3 expressed in HEK293T/17 cells using FLAG-tagged MEKK2 as substrate incubated for 30 mins in low air flow area followed by i...				ACS Med Chem Lett 7: 134-8 (2016) Article DOI: 10.1021/acsmedchemlett.5b00272 BindingDB Entry DOI: 10.7270/Q2NG4TPR
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase SMYD3 (Homo sapiens (Human))	BDBM378464 (2-oxo-N-((1R,3r,5S)-8-((piperidin-4-ylmethyl)sulfo...) Show SMILES O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)CC1CCNCC1)c1ccc2NC(=O)Cc2c1 |r,TLB:11:10:7.6:4.3.9| Show InChI InChI=1S/C22H30N4O4S/c27-21-10-16-9-15(1-4-20(16)25-21)22(28)24-17-11-18-2-3-19(12-17)26(18)31(29,30)13-14-5-7-23-8-6-14/h1,4,9,14,17-19,23H,2-3,5-8,10-13H2,(H,24,28)(H,25,27)/t17-,18+,19-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Epizyme Inc. Curated by ChEMBL					Assay Description Inhibition of full length N-terminal His-tagged SMYD3 (1 to 428 residues) (unknown origin) expressed in Escherichia coli using N-terminal GST-tagged ...				ACS Med Chem Lett 7: 134-8 (2016) Article DOI: 10.1021/acsmedchemlett.5b00272 BindingDB Entry DOI: 10.7270/Q2NG4TPR
					More data for this Ligand-Target Pair