BDBM50058332 CHEMBL299496::methyl 10,23-di(ethylsulfanylmethyl)-16-hydroxy-15-methyl-3-oxo-(15S,16R)-28-oxa-4,14,19-triazaoctacyclo[12.11.2.115,18.02,6.07,27.08,13.019,26.020,25]octacosa-1(26),2(6),7(27),8,10,12,20(25),21,23-nonaene-16-carboxylate

SMILES: CCSCc1ccc2n3C4C[C@](O)(C(=O)OC)[C@](C)(O4)n4c5ccc(CSCC)cc5c5c6CNC(=O)c6c(c2c1)c3c45

InChI Key: InChIKey=SCMLRESZJCKCTC-SVQPHZEZSA-N

Data: 5 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 5 hits for monomerid = 50058332   

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
Myosin light chain kinase, smooth muscle (Gallus gallus (chicken))	BDBM50058332 (CHEMBL299496 | methyl 10,23-di(ethylsulfanylmethyl...) Show SMILES CCSCc1ccc2n3C4C[C@](O)(C(=O)OC)[C@](C)(O4)n4c5ccc(CSCC)cc5c5c6CNC(=O)c6c(c2c1)c3c45 Show InChI InChI=1S/C33H33N3O5S2/c1-5-42-15-17-7-9-22-19(11-17)26-27-21(14-34-30(27)37)25-20-12-18(16-43-6-2)8-10-23(20)36-29(25)28(26)35(22)24-13-33(39,31(38)40-4)32(36,3)41-24/h7-12,24,39H,5-6,13-16H2,1-4H3,(H,34,37)/t24?,32-,33-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>10	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of Smooth muscle myosin light chain kinase of chicken gizzard				J Med Chem 40: 1863-9 (1997) Article DOI: 10.1021/jm970031d BindingDB Entry DOI: 10.7270/Q2W95891
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM50058332 (CHEMBL299496 | methyl 10,23-di(ethylsulfanylmethyl...) Show SMILES CCSCc1ccc2n3C4C[C@](O)(C(=O)OC)[C@](C)(O4)n4c5ccc(CSCC)cc5c5c6CNC(=O)c6c(c2c1)c3c45 Show InChI InChI=1S/C33H33N3O5S2/c1-5-42-15-17-7-9-22-19(11-17)26-27-21(14-34-30(27)37)25-20-12-18(16-43-6-2)8-10-23(20)36-29(25)28(26)35(22)24-13-33(39,31(38)40-4)32(36,3)41-24/h7-12,24,39H,5-6,13-16H2,1-4H3,(H,34,37)/t24?,32-,33-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co., Ltd. Curated by ChEMBL					Assay Description Ability to inhibit human trk A tyrosine kinase expressed in baculovirus using ELISA based enzyme assay was determined				J Med Chem 40: 1863-9 (1997) Article DOI: 10.1021/jm970031d BindingDB Entry DOI: 10.7270/Q2W95891
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PAK 1 (Mus musculus)	BDBM50058332 (CHEMBL299496 | methyl 10,23-di(ethylsulfanylmethyl...) Show SMILES CCSCc1ccc2n3C4C[C@](O)(C(=O)OC)[C@](C)(O4)n4c5ccc(CSCC)cc5c5c6CNC(=O)c6c(c2c1)c3c45 Show InChI InChI=1S/C33H33N3O5S2/c1-5-42-15-17-7-9-22-19(11-17)26-27-21(14-34-30(27)37)25-20-12-18(16-43-6-2)8-10-23(20)36-29(25)28(26)35(22)24-13-33(39,31(38)40-4)32(36,3)41-24/h7-12,24,39H,5-6,13-16H2,1-4H3,(H,34,37)/t24?,32-,33-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
PAK Research Center Curated by ChEMBL					Assay Description Inhibition of PAK1 in v-Ha-RAS-transformed mouse NIH/3T3 cells incubated for 1 hr by immunoblot analysis				Eur J Med Chem 142: 229-243 (2017) Article DOI: 10.1016/j.ejmech.2017.07.043 BindingDB Entry DOI: 10.7270/Q21J9DG3
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11 (Homo sapiens (Human))	BDBM50058332 (CHEMBL299496 | methyl 10,23-di(ethylsulfanylmethyl...) Show SMILES CCSCc1ccc2n3C4C[C@](O)(C(=O)OC)[C@](C)(O4)n4c5ccc(CSCC)cc5c5c6CNC(=O)c6c(c2c1)c3c45 Show InChI InChI=1S/C33H33N3O5S2/c1-5-42-15-17-7-9-22-19(11-17)26-27-21(14-34-30(27)37)25-20-12-18(16-43-6-2)8-10-23(20)36-29(25)28(26)35(22)24-13-33(39,31(38)40-4)32(36,3)41-24/h7-12,24,39H,5-6,13-16H2,1-4H3,(H,34,37)/t24?,32-,33-/m0/s1	PDB NCI pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
PAK Research Center Curated by ChEMBL					Assay Description Inhibition of flag-tagged MLK3 (unknown origin) expressed in human HeLa cells assessed as reduction in enzyme autophosphorylation incubated for 20 mi...				Eur J Med Chem 142: 229-243 (2017) Article DOI: 10.1016/j.ejmech.2017.07.043 BindingDB Entry DOI: 10.7270/Q21J9DG3
					More data for this Ligand-Target Pair
Cyclic AMP-dependent protein kinase (PKA) (Oryctolagus cuniculus (Rabbit))	BDBM50058332 (CHEMBL299496 | methyl 10,23-di(ethylsulfanylmethyl...) Show SMILES CCSCc1ccc2n3C4C[C@](O)(C(=O)OC)[C@](C)(O4)n4c5ccc(CSCC)cc5c5c6CNC(=O)c6c(c2c1)c3c45 Show InChI InChI=1S/C33H33N3O5S2/c1-5-42-15-17-7-9-22-19(11-17)26-27-21(14-34-30(27)37)25-20-12-18(16-43-6-2)8-10-23(20)36-29(25)28(26)35(22)24-13-33(39,31(38)40-4)32(36,3)41-24/h7-12,24,39H,5-6,13-16H2,1-4H3,(H,34,37)/t24?,32-,33-/m0/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>10	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of cAMP dependent Protein kinase A of rabbit Skeletal Muscle.				J Med Chem 40: 1863-9 (1997) Article DOI: 10.1021/jm970031d BindingDB Entry DOI: 10.7270/Q2W95891
					More data for this Ligand-Target Pair