BDBM50307401 CHEMBL602113::Octyl 2,3,4,6-Tetra-O-sulfo-alpha-D-mannopyranosyl-(1->3)-2,4,6-tri-O-sulfo-alpha-D-mannopyranosyl-(1->3)-2,4,6-tri-O-sulfo-alpha-D-mannopyranosyl-(1->2)-3,4,6-tri-O-sulfo-alpha-D-mannopyranoside, TridecasodiumSalt

SMILES: CCCCCCCCO[C@H]1O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@@H]1O[C@H]1O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](O[C@H]2O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](O[C@H]3O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@@H]3OS([O-])(=O)=O)[C@@H]2OS([O-])(=O)=O)[C@@H]1OS([O-])(=O)=O

InChI Key: InChIKey=OFKKNRXXSSSMMU-YJNACFCSSA-A

Data: 4 Kd

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 4 hits for monomerid = 50307401   

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
Heparanase (Homo sapiens (Human))	BDBM50307401 (CHEMBL602113 | Octyl 2,3,4,6-Tetra-O-sulfo-alpha-D...) Show SMILES CCCCCCCCO[C@H]1O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@@H]1O[C@H]1O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](O[C@H]2O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](O[C@H]3O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@@H]3OS([O-])(=O)=O)[C@@H]2OS([O-])(=O)=O)[C@@H]1OS([O-])(=O)=O |r| Show InChI InChI=1S/C32H58O60S13/c1-2-3-4-5-6-7-8-72-29-25(23(88-101(57,58)59)19(86-99(51,52)53)15(77-29)11-75-95(39,40)41)83-31-27(91-104(66,67)68)22(18(85-98(48,49)50)14(79-31)10-74-94(36,37)38)81-30-26(90-103(63,64)65)21(17(84-97(45,46)47)13(78-30)9-73-93(33,34)35)82-32-28(92-105(69,70)71)24(89-102(60,61)62)20(87-100(54,55)56)16(80-32)12-76-96(42,43)44/h13-32H,2-12H2,1H3,(H,33,34,35)(H,36,37,38)(H,39,40,41)(H,42,43,44)(H,45,46,47)(H,48,49,50)(H,51,52,53)(H,54,55,56)(H,57,58,59)(H,60,61,62)(H,63,64,65)(H,66,67,68)(H,69,70,71)/p-13/t13-,14-,15-,16-,17-,18-,19-,20-,21+,22+,23+,24+,25+,26+,27+,28+,29+,30-,31-,32-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	330	n/a	n/a	n/a	n/a	n/a
Progen Pharmaceuticals Limited Curated by ChEMBL					Assay Description Inhibition of human recombinant heparanase				J Med Chem 53: 1686-99 (2010) Article DOI: 10.1021/jm901449m BindingDB Entry DOI: 10.7270/Q2PG1SPH
					More data for this Ligand-Target Pair
Vascular endothelial growth factor A (Homo sapiens (Human))	BDBM50307401 (CHEMBL602113 | Octyl 2,3,4,6-Tetra-O-sulfo-alpha-D...) Show SMILES CCCCCCCCO[C@H]1O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@@H]1O[C@H]1O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](O[C@H]2O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](O[C@H]3O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@@H]3OS([O-])(=O)=O)[C@@H]2OS([O-])(=O)=O)[C@@H]1OS([O-])(=O)=O |r| Show InChI InChI=1S/C32H58O60S13/c1-2-3-4-5-6-7-8-72-29-25(23(88-101(57,58)59)19(86-99(51,52)53)15(77-29)11-75-95(39,40)41)83-31-27(91-104(66,67)68)22(18(85-98(48,49)50)14(79-31)10-74-94(36,37)38)81-30-26(90-103(63,64)65)21(17(84-97(45,46)47)13(78-30)9-73-93(33,34)35)82-32-28(92-105(69,70)71)24(89-102(60,61)62)20(87-100(54,55)56)16(80-32)12-76-96(42,43)44/h13-32H,2-12H2,1H3,(H,33,34,35)(H,36,37,38)(H,39,40,41)(H,42,43,44)(H,45,46,47)(H,48,49,50)(H,51,52,53)(H,54,55,56)(H,57,58,59)(H,60,61,62)(H,63,64,65)(H,66,67,68)(H,69,70,71)/p-13/t13-,14-,15-,16-,17-,18-,19-,20-,21+,22+,23+,24+,25+,26+,27+,28+,29+,30-,31-,32-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a
Progen Pharmaceuticals Limited Curated by ChEMBL					Assay Description Binding affinity to VEGF by surface plasmon-based solution affinity assay				J Med Chem 53: 1686-99 (2010) Article DOI: 10.1021/jm901449m BindingDB Entry DOI: 10.7270/Q2PG1SPH
					More data for this Ligand-Target Pair
Fibroblast growth factor 2 (Homo sapiens (Human))	BDBM50307401 (CHEMBL602113 | Octyl 2,3,4,6-Tetra-O-sulfo-alpha-D...) Show SMILES CCCCCCCCO[C@H]1O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@@H]1O[C@H]1O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](O[C@H]2O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](O[C@H]3O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@@H]3OS([O-])(=O)=O)[C@@H]2OS([O-])(=O)=O)[C@@H]1OS([O-])(=O)=O |r| Show InChI InChI=1S/C32H58O60S13/c1-2-3-4-5-6-7-8-72-29-25(23(88-101(57,58)59)19(86-99(51,52)53)15(77-29)11-75-95(39,40)41)83-31-27(91-104(66,67)68)22(18(85-98(48,49)50)14(79-31)10-74-94(36,37)38)81-30-26(90-103(63,64)65)21(17(84-97(45,46)47)13(78-30)9-73-93(33,34)35)82-32-28(92-105(69,70)71)24(89-102(60,61)62)20(87-100(54,55)56)16(80-32)12-76-96(42,43)44/h13-32H,2-12H2,1H3,(H,33,34,35)(H,36,37,38)(H,39,40,41)(H,42,43,44)(H,45,46,47)(H,48,49,50)(H,51,52,53)(H,54,55,56)(H,57,58,59)(H,60,61,62)(H,63,64,65)(H,66,67,68)(H,69,70,71)/p-13/t13-,14-,15-,16-,17-,18-,19-,20-,21+,22+,23+,24+,25+,26+,27+,28+,29+,30-,31-,32-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a
Progen Pharmaceuticals Limited Curated by ChEMBL					Assay Description Binding affinity to FGF2 by surface plasmon-based solution affinity assay				J Med Chem 53: 1686-99 (2010) Article DOI: 10.1021/jm901449m BindingDB Entry DOI: 10.7270/Q2PG1SPH
					More data for this Ligand-Target Pair
Acidic fibroblast growth factor (Homo sapiens (Human))	BDBM50307401 (CHEMBL602113 | Octyl 2,3,4,6-Tetra-O-sulfo-alpha-D...) Show SMILES CCCCCCCCO[C@H]1O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@@H]1O[C@H]1O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](O[C@H]2O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](O[C@H]3O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@@H]3OS([O-])(=O)=O)[C@@H]2OS([O-])(=O)=O)[C@@H]1OS([O-])(=O)=O |r| Show InChI InChI=1S/C32H58O60S13/c1-2-3-4-5-6-7-8-72-29-25(23(88-101(57,58)59)19(86-99(51,52)53)15(77-29)11-75-95(39,40)41)83-31-27(91-104(66,67)68)22(18(85-98(48,49)50)14(79-31)10-74-94(36,37)38)81-30-26(90-103(63,64)65)21(17(84-97(45,46)47)13(78-30)9-73-93(33,34)35)82-32-28(92-105(69,70)71)24(89-102(60,61)62)20(87-100(54,55)56)16(80-32)12-76-96(42,43)44/h13-32H,2-12H2,1H3,(H,33,34,35)(H,36,37,38)(H,39,40,41)(H,42,43,44)(H,45,46,47)(H,48,49,50)(H,51,52,53)(H,54,55,56)(H,57,58,59)(H,60,61,62)(H,63,64,65)(H,66,67,68)(H,69,70,71)/p-13/t13-,14-,15-,16-,17-,18-,19-,20-,21+,22+,23+,24+,25+,26+,27+,28+,29+,30-,31-,32-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	118	n/a	n/a	n/a	n/a	n/a
Progen Pharmaceuticals Limited Curated by ChEMBL					Assay Description Binding affinity to FGF1 by surface plasmon-based solution affinity assay				J Med Chem 53: 1686-99 (2010) Article DOI: 10.1021/jm901449m BindingDB Entry DOI: 10.7270/Q2PG1SPH
					More data for this Ligand-Target Pair