BDBM311257 (S)-methyl (4-(4-((2-amino-2,4-dimethylpentyl)oxy)-3-(methylsulfonyl)phenyl)pyridin-2-yl)carbamate::US10155760, Example 113::US10351563, Example 113::US10544120, Example 113::US10723734, Example 113::US10981910, Example 113::US9902722, Example 113

SMILES: COC(=O)Nc1cc(ccn1)-c1ccc(OC[C@@](C)(N)CC(C)C)c(c1)S(C)(=O)=O

InChI Key: InChIKey=IIYCDMHBASPTKO-NRFANRHFSA-N

Data: 6 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 6 hits for monomerid = 311257   

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
AP2-associated protein kinase 1 (Homo sapiens (Human))	BDBM311257 ((S)-methyl (4-(4-((2-amino-2,4-dimethylpentyl)oxy)...) Show SMILES COC(=O)Nc1cc(ccn1)-c1ccc(OC[C@@](C)(N)CC(C)C)c(c1)S(C)(=O)=O |r| Show InChI InChI=1S/C21H29N3O5S/c1-14(2)12-21(3,22)13-29-17-7-6-15(10-18(17)30(5,26)27)16-8-9-23-19(11-16)24-20(25)28-4/h6-11,14H,12-13,22H2,1-5H3,(H,23,24,25)/t21-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme and substra...				US Patent US10155760 (2018) BindingDB Entry DOI: 10.7270/Q2F191S4
					More data for this Ligand-Target Pair
AP2-associated protein kinase 1 (Homo sapiens (Human))	BDBM311257 ((S)-methyl (4-(4-((2-amino-2,4-dimethylpentyl)oxy)...) Show SMILES COC(=O)Nc1cc(ccn1)-c1ccc(OC[C@@](C)(N)CC(C)C)c(c1)S(C)(=O)=O |r| Show InChI InChI=1S/C21H29N3O5S/c1-14(2)12-21(3,22)13-29-17-7-6-15(10-18(17)30(5,26)27)16-8-9-23-19(11-16)24-20(25)28-4/h6-11,14H,12-13,22H2,1-5H3,(H,23,24,25)/t21-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
University of Mississippi					Assay Description The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme and substra...				J Med Chem 48: 2906-15 (2005) BindingDB Entry DOI: 10.7270/Q2930WGG
					More data for this Ligand-Target Pair
AP2-associated protein kinase 1 (Homo sapiens (Human))	BDBM311257 ((S)-methyl (4-(4-((2-amino-2,4-dimethylpentyl)oxy)...) Show SMILES COC(=O)Nc1cc(ccn1)-c1ccc(OC[C@@](C)(N)CC(C)C)c(c1)S(C)(=O)=O |r| Show InChI InChI=1S/C21H29N3O5S/c1-14(2)12-21(3,22)13-29-17-7-6-15(10-18(17)30(5,26)27)16-8-9-23-19(11-16)24-20(25)28-4/h6-11,14H,12-13,22H2,1-5H3,(H,23,24,25)/t21-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme and substra...				US Patent US10981910 (2021)
					More data for this Ligand-Target Pair
AP2-associated protein kinase 1 (Homo sapiens (Human))	BDBM311257 ((S)-methyl (4-(4-((2-amino-2,4-dimethylpentyl)oxy)...) Show SMILES COC(=O)Nc1cc(ccn1)-c1ccc(OC[C@@](C)(N)CC(C)C)c(c1)S(C)(=O)=O |r| Show InChI InChI=1S/C21H29N3O5S/c1-14(2)12-21(3,22)13-29-17-7-6-15(10-18(17)30(5,26)27)16-8-9-23-19(11-16)24-20(25)28-4/h6-11,14H,12-13,22H2,1-5H3,(H,23,24,25)/t21-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme and substra...				US Patent US10544120 (2020) BindingDB Entry DOI: 10.7270/Q2RF5XCX
					More data for this Ligand-Target Pair
AP2-associated protein kinase 1 (Homo sapiens (Human))	BDBM311257 ((S)-methyl (4-(4-((2-amino-2,4-dimethylpentyl)oxy)...) Show SMILES COC(=O)Nc1cc(ccn1)-c1ccc(OC[C@@](C)(N)CC(C)C)c(c1)S(C)(=O)=O |r| Show InChI InChI=1S/C21H29N3O5S/c1-14(2)12-21(3,22)13-29-17-7-6-15(10-18(17)30(5,26)27)16-8-9-23-19(11-16)24-20(25)28-4/h6-11,14H,12-13,22H2,1-5H3,(H,23,24,25)/t21-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The assays were performed in U-bottom 384-well plates. The final assay volume was 30 Cl prepared from 15 μl additions of enzyme and substrates (...				US Patent US10723734 (2020)
					More data for this Ligand-Target Pair
AP2-associated protein kinase 1 (Homo sapiens (Human))	BDBM311257 ((S)-methyl (4-(4-((2-amino-2,4-dimethylpentyl)oxy)...) Show SMILES COC(=O)Nc1cc(ccn1)-c1ccc(OC[C@@](C)(N)CC(C)C)c(c1)S(C)(=O)=O |r| Show InChI InChI=1S/C21H29N3O5S/c1-14(2)12-21(3,22)13-29-17-7-6-15(10-18(17)30(5,26)27)16-8-9-23-19(11-16)24-20(25)28-4/h6-11,14H,12-13,22H2,1-5H3,(H,23,24,25)/t21-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Co. US Patent					Assay Description The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme and substra...				US Patent US10351563 (2019) BindingDB Entry DOI: 10.7270/Q2P55QWS
					More data for this Ligand-Target Pair