BDBM14030 KT5720::hexyl (15R,16S,18S)-16-hydroxy-15-methyl-3-oxo-28-oxa-4,14,19-triazaoctacyclo[12.11.2.1^{15,18}.0^{2,6}.0^{7,27}.0^{8,13}.0^{19,26}.0^{20,25}]octacosa-1(26),2(6),7(27),8(13),9,11,20(25),21,23-nonaene-16-carboxylate

SMILES: [H][C@@]12C[C@@](O)(C(=O)OCCCCCC)[C@@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13

InChI Key: InChIKey=ZHEHVZXPFVXKEY-RUAOOFDTSA-N

Data: 11 IC50

PDB links: 1 PDB ID contains inhibitors having a similarity of 90% to this monomer.

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 11 hits for monomerid = 14030   

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
cAMP-Dependent Protein Kinase (PKA) (Bos taurus (bovine))	BDBM14030 (KT5720 | hexyl (15R,16S,18S)-16-hydroxy-15-methyl-...) Show SMILES [H][C@@]12C[C@@](O)(C(=O)OCCCCCC)[C@@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C32H31N3O5/c1-3-4-5-10-15-39-30(37)32(38)16-23-34-21-13-8-6-11-18(21)25-26-20(17-33-29(26)36)24-19-12-7-9-14-22(19)35(28(24)27(25)34)31(32,2)40-23/h6-9,11-14,23,38H,3-5,10,15-17H2,1-2H3,(H,33,36)/t23-,31+,32+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	56	n/a	n/a	n/a	n/a	6.8	25
German Cancer Research Center					Assay Description The enzyme activity was assayed by using an ATP regenerative NADH consuming system. The reaction was started with adding ATP to the mixture containin...				J Biol Chem 281: 24818-30 (2006) Article DOI: 10.1074/jbc.M512374200 BindingDB Entry DOI: 10.7270/Q2PG1PZV
					More data for this Ligand-Target Pair
cAMP-Dependent Protein Kinase (PKA) Mutant (L49I) (Bos taurus (bovine))	BDBM14030 (KT5720 | hexyl (15R,16S,18S)-16-hydroxy-15-methyl-...) Show SMILES [H][C@@]12C[C@@](O)(C(=O)OCCCCCC)[C@@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C32H31N3O5/c1-3-4-5-10-15-39-30(37)32(38)16-23-34-21-13-8-6-11-18(21)25-26-20(17-33-29(26)36)24-19-12-7-9-14-22(19)35(28(24)27(25)34)31(32,2)40-23/h6-9,11-14,23,38H,3-5,10,15-17H2,1-2H3,(H,33,36)/t23-,31+,32+/m0/s1	PDB MMDB B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.03E+4	n/a	n/a	n/a	n/a	6.8	25
German Cancer Research Center					Assay Description The enzyme activity was assayed by using an ATP regenerative NADH consuming system. The reaction was started with adding ATP to the mixture containin...				J Biol Chem 281: 24818-30 (2006) Article DOI: 10.1074/jbc.M512374200 BindingDB Entry DOI: 10.7270/Q2PG1PZV
					More data for this Ligand-Target Pair
cAMP-Dependent Protein Kinase (PKA) Mutant (V123M) (Bos taurus (bovine))	BDBM14030 (KT5720 | hexyl (15R,16S,18S)-16-hydroxy-15-methyl-...) Show SMILES [H][C@@]12C[C@@](O)(C(=O)OCCCCCC)[C@@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C32H31N3O5/c1-3-4-5-10-15-39-30(37)32(38)16-23-34-21-13-8-6-11-18(21)25-26-20(17-33-29(26)36)24-19-12-7-9-14-22(19)35(28(24)27(25)34)31(32,2)40-23/h6-9,11-14,23,38H,3-5,10,15-17H2,1-2H3,(H,33,36)/t23-,31+,32+/m0/s1	PDB MMDB B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	222	n/a	n/a	n/a	n/a	6.8	25
German Cancer Research Center					Assay Description The enzyme activity was assayed by using an ATP regenerative NADH consuming system. The reaction was started with adding ATP to the mixture containin...				J Biol Chem 281: 24818-30 (2006) Article DOI: 10.1074/jbc.M512374200 BindingDB Entry DOI: 10.7270/Q2PG1PZV
					More data for this Ligand-Target Pair
cAMP-Dependent Protein Kinase (PKA) Mutant (T183A) (Bos taurus (bovine))	BDBM14030 (KT5720 | hexyl (15R,16S,18S)-16-hydroxy-15-methyl-...) Show SMILES [H][C@@]12C[C@@](O)(C(=O)OCCCCCC)[C@@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C32H31N3O5/c1-3-4-5-10-15-39-30(37)32(38)16-23-34-21-13-8-6-11-18(21)25-26-20(17-33-29(26)36)24-19-12-7-9-14-22(19)35(28(24)27(25)34)31(32,2)40-23/h6-9,11-14,23,38H,3-5,10,15-17H2,1-2H3,(H,33,36)/t23-,31+,32+/m0/s1	PDB MMDB B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	<45	n/a	n/a	n/a	n/a	n/a	n/a
German Cancer Research Center					Assay Description The enzyme activity was assayed by using an ATP regenerative NADH consuming system. The reaction was started with adding ATP to the mixture containin...				J Biol Chem 281: 24818-30 (2006) Article DOI: 10.1074/jbc.M512374200 BindingDB Entry DOI: 10.7270/Q2PG1PZV
					More data for this Ligand-Target Pair
cAMP-Dependent Protein Kinase (PKA) Mutant (E127D) (Bos taurus (bovine))	BDBM14030 (KT5720 | hexyl (15R,16S,18S)-16-hydroxy-15-methyl-...) Show SMILES [H][C@@]12C[C@@](O)(C(=O)OCCCCCC)[C@@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C32H31N3O5/c1-3-4-5-10-15-39-30(37)32(38)16-23-34-21-13-8-6-11-18(21)25-26-20(17-33-29(26)36)24-19-12-7-9-14-22(19)35(28(24)27(25)34)31(32,2)40-23/h6-9,11-14,23,38H,3-5,10,15-17H2,1-2H3,(H,33,36)/t23-,31+,32+/m0/s1	PDB MMDB B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.82E+3	n/a	n/a	n/a	n/a	n/a	n/a
German Cancer Research Center					Assay Description The enzyme activity was assayed by using an ATP regenerative NADH consuming system. The reaction was started with adding ATP to the mixture containin...				J Biol Chem 281: 24818-30 (2006) Article DOI: 10.1074/jbc.M512374200 BindingDB Entry DOI: 10.7270/Q2PG1PZV
					More data for this Ligand-Target Pair
Rho-kinase (ROCK II) (Bos taurus (bovine))	BDBM14030 (KT5720 | hexyl (15R,16S,18S)-16-hydroxy-15-methyl-...) Show SMILES [H][C@@]12C[C@@](O)(C(=O)OCCCCCC)[C@@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C32H31N3O5/c1-3-4-5-10-15-39-30(37)32(38)16-23-34-21-13-8-6-11-18(21)25-26-20(17-33-29(26)36)24-19-12-7-9-14-22(19)35(28(24)27(25)34)31(32,2)40-23/h6-9,11-14,23,38H,3-5,10,15-17H2,1-2H3,(H,33,36)/t23-,31+,32+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
German Cancer Research Center					Assay Description The enzyme activity was assayed by using an ATP regenerative NADH consuming system. The reaction was started with adding ATP to the mixture containin...				J Biol Chem 281: 24818-30 (2006) Article DOI: 10.1074/jbc.M512374200 BindingDB Entry DOI: 10.7270/Q2PG1PZV
					More data for this Ligand-Target Pair
cAMP-Dependent Protein Kinase (PKA) Mutant (L49I/Q181K/T183A) (Bos taurus (bovine))	BDBM14030 (KT5720 | hexyl (15R,16S,18S)-16-hydroxy-15-methyl-...) Show SMILES [H][C@@]12C[C@@](O)(C(=O)OCCCCCC)[C@@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C32H31N3O5/c1-3-4-5-10-15-39-30(37)32(38)16-23-34-21-13-8-6-11-18(21)25-26-20(17-33-29(26)36)24-19-12-7-9-14-22(19)35(28(24)27(25)34)31(32,2)40-23/h6-9,11-14,23,38H,3-5,10,15-17H2,1-2H3,(H,33,36)/t23-,31+,32+/m0/s1	PDB MMDB B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.54E+3	n/a	n/a	n/a	n/a	n/a	n/a
German Cancer Research Center					Assay Description The enzyme activity was assayed by using an ATP regenerative NADH consuming system. The reaction was started with adding ATP to the mixture containin...				J Biol Chem 281: 24818-30 (2006) Article DOI: 10.1074/jbc.M512374200 BindingDB Entry DOI: 10.7270/Q2PG1PZV
					More data for this Ligand-Target Pair
cAMP-Dependent Protein Kinase (PKA) Mutant (V123M/Q181K/T183A) (Bos taurus (bovine))	BDBM14030 (KT5720 | hexyl (15R,16S,18S)-16-hydroxy-15-methyl-...) Show SMILES [H][C@@]12C[C@@](O)(C(=O)OCCCCCC)[C@@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C32H31N3O5/c1-3-4-5-10-15-39-30(37)32(38)16-23-34-21-13-8-6-11-18(21)25-26-20(17-33-29(26)36)24-19-12-7-9-14-22(19)35(28(24)27(25)34)31(32,2)40-23/h6-9,11-14,23,38H,3-5,10,15-17H2,1-2H3,(H,33,36)/t23-,31+,32+/m0/s1	PDB MMDB B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	68	n/a	n/a	n/a	n/a	n/a	n/a
German Cancer Research Center					Assay Description The enzyme activity was assayed by using an ATP regenerative NADH consuming system. The reaction was started with adding ATP to the mixture containin...				J Biol Chem 281: 24818-30 (2006) Article DOI: 10.1074/jbc.M512374200 BindingDB Entry DOI: 10.7270/Q2PG1PZV
					More data for this Ligand-Target Pair
cAMP-Dependent Protein Kinase (PKA) Mutant (L49I/V123M/Q181K/T183A) (Bos taurus (bovine))	BDBM14030 (KT5720 | hexyl (15R,16S,18S)-16-hydroxy-15-methyl-...) Show SMILES [H][C@@]12C[C@@](O)(C(=O)OCCCCCC)[C@@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C32H31N3O5/c1-3-4-5-10-15-39-30(37)32(38)16-23-34-21-13-8-6-11-18(21)25-26-20(17-33-29(26)36)24-19-12-7-9-14-22(19)35(28(24)27(25)34)31(32,2)40-23/h6-9,11-14,23,38H,3-5,10,15-17H2,1-2H3,(H,33,36)/t23-,31+,32+/m0/s1	PDB MMDB B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.01E+3	n/a	n/a	n/a	n/a	n/a	n/a
German Cancer Research Center					Assay Description The enzyme activity was assayed by using an ATP regenerative NADH consuming system. The reaction was started with adding ATP to the mixture containin...				J Biol Chem 281: 24818-30 (2006) Article DOI: 10.1074/jbc.M512374200 BindingDB Entry DOI: 10.7270/Q2PG1PZV
					More data for this Ligand-Target Pair
cAMP-Dependent Protein Kinase (PKA) Mutant (L49I/V123M/E127D/Q181K/T183A) (Bos taurus (bovine))	BDBM14030 (KT5720 | hexyl (15R,16S,18S)-16-hydroxy-15-methyl-...) Show SMILES [H][C@@]12C[C@@](O)(C(=O)OCCCCCC)[C@@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C32H31N3O5/c1-3-4-5-10-15-39-30(37)32(38)16-23-34-21-13-8-6-11-18(21)25-26-20(17-33-29(26)36)24-19-12-7-9-14-22(19)35(28(24)27(25)34)31(32,2)40-23/h6-9,11-14,23,38H,3-5,10,15-17H2,1-2H3,(H,33,36)/t23-,31+,32+/m0/s1	PDB MMDB B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
German Cancer Research Center					Assay Description The enzyme activity was assayed by using an ATP regenerative NADH consuming system. The reaction was started with adding ATP to the mixture containin...				J Biol Chem 281: 24818-30 (2006) Article DOI: 10.1074/jbc.M512374200 BindingDB Entry DOI: 10.7270/Q2PG1PZV
					More data for this Ligand-Target Pair
cAMP-Dependent Protein Kinase (PKA) Mutant (Q181K/T183A) (Bos taurus (bovine))	BDBM14030 (KT5720 | hexyl (15R,16S,18S)-16-hydroxy-15-methyl-...) Show SMILES [H][C@@]12C[C@@](O)(C(=O)OCCCCCC)[C@@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C32H31N3O5/c1-3-4-5-10-15-39-30(37)32(38)16-23-34-21-13-8-6-11-18(21)25-26-20(17-33-29(26)36)24-19-12-7-9-14-22(19)35(28(24)27(25)34)31(32,2)40-23/h6-9,11-14,23,38H,3-5,10,15-17H2,1-2H3,(H,33,36)/t23-,31+,32+/m0/s1	PDB MMDB B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	<45	n/a	n/a	n/a	n/a	n/a	n/a
German Cancer Research Center					Assay Description The enzyme activity was assayed by using an ATP regenerative NADH consuming system. The reaction was started with adding ATP to the mixture containin...				J Biol Chem 281: 24818-30 (2006) Article DOI: 10.1074/jbc.M512374200 BindingDB Entry DOI: 10.7270/Q2PG1PZV
					More data for this Ligand-Target Pair