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BDBM65515 76343-93-6::LAT-A::LatA::Latrunculin A

SMILES: C[C@H]1CC[C@@H]2C[C@H](C[C@@](O)(O2)[C@@H]2CSC(=O)N2)OC(=O)\C=C(C)/CC\C=C\C=C/1

InChI Key: InChIKey=DDVBPZROPPMBLW-IZGXTMSKSA-N

Data: 5 IC50

PDB links: 18 PDB IDs match 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 5 hits for monomerid = 65515   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
ACT1


(Baker's yeast)
BDBM65515
PNG
(76343-93-6 | LAT-A | LatA | Latrunculin A)
Show SMILES C[C@H]1CC[C@@H]2C[C@H](C[C@@](O)(O2)[C@@H]2CSC(=O)N2)OC(=O)\C=C(C)/CC\C=C\C=C/1
Show InChI InChI=1S/C22H31NO5S/c1-15-7-5-3-4-6-8-16(2)11-20(24)27-18-12-17(10-9-15)28-22(26,13-18)19-14-29-21(25)23-19/h3-5,7,11,15,17-19,26H,6,8-10,12-14H2,1-2H3,(H,23,25)/b4-3+,7-5-,16-11-/t15-,17-,18-,19+,22-/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 70n/an/an/an/an/a30



Novartis Pharma AG



Assay Description
Saturated ACT1 wild type (WT) as well as engineered ACT1 R183K (R183K) and ACT1 R335K (R335K) cultures were adjusted to 10 OD600 and 3 uL of serial 1...


ACS Chem Biol 12: 2264-2269 (2017)


Article DOI: 10.1021/acschembio.7b00385
BindingDB Entry DOI: 10.7270/Q25B00MP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
ACT1 (R183K)


(Baker's yeast)
BDBM65515
PNG
(76343-93-6 | LAT-A | LatA | Latrunculin A)
Show SMILES C[C@H]1CC[C@@H]2C[C@H](C[C@@](O)(O2)[C@@H]2CSC(=O)N2)OC(=O)\C=C(C)/CC\C=C\C=C/1
Show InChI InChI=1S/C22H31NO5S/c1-15-7-5-3-4-6-8-16(2)11-20(24)27-18-12-17(10-9-15)28-22(26,13-18)19-14-29-21(25)23-19/h3-5,7,11,15,17-19,26H,6,8-10,12-14H2,1-2H3,(H,23,25)/b4-3+,7-5-,16-11-/t15-,17-,18-,19+,22-/m1/s1
PDB

GoogleScholar
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 110n/an/an/an/an/a30



Novartis Pharma AG



Assay Description
Saturated ACT1 wild type (WT) as well as engineered ACT1 R183K (R183K) and ACT1 R335K (R335K) cultures were adjusted to 10 OD600 and 3 uL of serial 1...


ACS Chem Biol 12: 2264-2269 (2017)


Article DOI: 10.1021/acschembio.7b00385
BindingDB Entry DOI: 10.7270/Q25B00MP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Hypoxia inducible factors; HIF-1-alpha, HIF-2-alpha


(Homo sapiens (Human))
BDBM65515
PNG
(76343-93-6 | LAT-A | LatA | Latrunculin A)
Show SMILES C[C@H]1CC[C@@H]2C[C@H](C[C@@](O)(O2)[C@@H]2CSC(=O)N2)OC(=O)\C=C(C)/CC\C=C\C=C/1
Show InChI InChI=1S/C22H31NO5S/c1-15-7-5-3-4-6-8-16(2)11-20(24)27-18-12-17(10-9-15)28-22(26,13-18)19-14-29-21(25)23-19/h3-5,7,11,15,17-19,26H,6,8-10,12-14H2,1-2H3,(H,23,25)/b4-3+,7-5-,16-11-/t15-,17-,18-,19+,22-/m1/s1
PDB

GoogleScholar
PC cid
PC sid
PDB
UniChem
PubMed
n/an/a 2.50E+4n/an/an/an/an/an/a



University of Louisana

Curated by ChEMBL


Assay Description
Inhibition of 1,10-phenanthroline-induced HIF1 activation in human T47D cells by cell based reporter gene assay


J Nat Prod 71: 396-402 (2008)

More data for this
Ligand-Target Pair
Hypoxia inducible factors; HIF-1-alpha, HIF-2-alpha


(Homo sapiens (Human))
BDBM65515
PNG
(76343-93-6 | LAT-A | LatA | Latrunculin A)
Show SMILES C[C@H]1CC[C@@H]2C[C@H](C[C@@](O)(O2)[C@@H]2CSC(=O)N2)OC(=O)\C=C(C)/CC\C=C\C=C/1
Show InChI InChI=1S/C22H31NO5S/c1-15-7-5-3-4-6-8-16(2)11-20(24)27-18-12-17(10-9-15)28-22(26,13-18)19-14-29-21(25)23-19/h3-5,7,11,15,17-19,26H,6,8-10,12-14H2,1-2H3,(H,23,25)/b4-3+,7-5-,16-11-/t15-,17-,18-,19+,22-/m1/s1
PDB

GoogleScholar
PC cid
PC sid
PDB
UniChem
PubMed
n/an/a 6.70E+3n/an/an/an/an/an/a



University of Louisana

Curated by ChEMBL


Assay Description
Inhibition of hypoxia-induced HIF1 activation in human T47D cells by cell based reporter gene assay


J Nat Prod 71: 396-402 (2008)

More data for this
Ligand-Target Pair
ACT1 (R335K)


(Baker's yeast)
BDBM65515
PNG
(76343-93-6 | LAT-A | LatA | Latrunculin A)
Show SMILES C[C@H]1CC[C@@H]2C[C@H](C[C@@](O)(O2)[C@@H]2CSC(=O)N2)OC(=O)\C=C(C)/CC\C=C\C=C/1
Show InChI InChI=1S/C22H31NO5S/c1-15-7-5-3-4-6-8-16(2)11-20(24)27-18-12-17(10-9-15)28-22(26,13-18)19-14-29-21(25)23-19/h3-5,7,11,15,17-19,26H,6,8-10,12-14H2,1-2H3,(H,23,25)/b4-3+,7-5-,16-11-/t15-,17-,18-,19+,22-/m1/s1
PDB

GoogleScholar
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 40n/an/an/an/an/a30



Novartis Pharma AG



Assay Description
Saturated ACT1 wild type (WT) as well as engineered ACT1 R183K (R183K) and ACT1 R335K (R335K) cultures were adjusted to 10 OD600 and 3 uL of serial 1...


ACS Chem Biol 12: 2264-2269 (2017)


Article DOI: 10.1021/acschembio.7b00385
BindingDB Entry DOI: 10.7270/Q25B00MP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)