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)	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
ACT1 (Baker's yeast)	BDBM65515 (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 |c:29,t:22,27| 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 AffyNet	Purchase PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	30
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 Structure (crystal)
ACT1 (R183K) (Baker's yeast)	BDBM65515 (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 |c:29,t:22,27| 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 AffyNet	Purchase PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	30
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 Structure (crystal)
Hypoxia inducible factors; HIF-1-alpha, HIF-2-alpha (Homo sapiens (Human))	BDBM65515 (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 |c:29,t:22,27| 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 UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	2.50E+4	n/a	n/a	n/a	n/a	n/a	n/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) Article DOI: 10.1021/np070587w BindingDB Entry DOI: 10.7270/Q2NK3HS1
					More data for this Ligand-Target Pair
Hypoxia inducible factors; HIF-1-alpha, HIF-2-alpha (Homo sapiens (Human))	BDBM65515 (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 |c:29,t:22,27| 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 UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	6.70E+3	n/a	n/a	n/a	n/a	n/a	n/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) Article DOI: 10.1021/np070587w BindingDB Entry DOI: 10.7270/Q2NK3HS1
					More data for this Ligand-Target Pair
ACT1 (R335K) (Baker's yeast)	BDBM65515 (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 |c:29,t:22,27| 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 AffyNet	Purchase PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	30
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 Structure (crystal)