BDBM50388332 CHEMBL2059498

SMILES: CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OCc1cn(CCCO[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](O[C@H]4O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@@H]4OS([O-])(=O)=O)[C@@H]3OS([O-])(=O)=O)[C@@H]2OS([O-])(=O)=O)nn1

InChI Key: InChIKey=MIKHBYRVCGYIJG-LCYMCARRSA-D

Data: 1 KI  2 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 3 hits for monomerid = 50388332   

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))	BDBM50388332 (CHEMBL2059498) Show SMILES CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OCc1cn(CCCO[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](O[C@H]4O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@@H]4OS([O-])(=O)=O)[C@@H]3OS([O-])(=O)=O)[C@@H]2OS([O-])(=O)=O)nn1 |r| Show InChI InChI=1S/C51H87N3O47S10/c1-26(2)8-6-9-27(3)32-12-13-33-31-11-10-28-20-30(14-16-50(28,4)34(31)15-17-51(32,33)5)86-22-29-21-54(53-52-29)18-7-19-85-47-44(99-109(76,77)78)41(38(95-105(64,65)66)35(90-47)23-87-102(55,56)57)93-48-45(100-110(79,80)81)42(39(96-106(67,68)69)36(91-48)24-88-103(58,59)60)94-49-46(101-111(82,83)84)43(98-108(73,74)75)40(97-107(70,71)72)37(92-49)25-89-104(61,62)63/h21,26-28,30-49H,6-20,22-25H2,1-5H3,(H,55,56,57)(H,58,59,60)(H,61,62,63)(H,64,65,66)(H,67,68,69)(H,70,71,72)(H,73,74,75)(H,76,77,78)(H,79,80,81)(H,82,83,84)/p-10/t27-,28+,30+,31+,32-,33+,34+,35-,36-,37-,38-,39-,40-,41+,42+,43+,44+,45+,46+,47+,48-,49-,50+,51-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	8.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Progen Pharmaceuticals Limited Curated by ChEMBL					Assay Description Inhibition of human recombinant heparanase after 2 to 24 hrs by WST1 dye based fondaparinux assay				J Med Chem 55: 3804-13 (2012) Article DOI: 10.1021/jm201708h BindingDB Entry DOI: 10.7270/Q2G161WN
					More data for this Ligand-Target Pair
Acidic fibroblast growth factor (Homo sapiens (Human))	BDBM50388332 (CHEMBL2059498) Show SMILES CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OCc1cn(CCCO[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](O[C@H]4O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@@H]4OS([O-])(=O)=O)[C@@H]3OS([O-])(=O)=O)[C@@H]2OS([O-])(=O)=O)nn1 |r| Show InChI InChI=1S/C51H87N3O47S10/c1-26(2)8-6-9-27(3)32-12-13-33-31-11-10-28-20-30(14-16-50(28,4)34(31)15-17-51(32,33)5)86-22-29-21-54(53-52-29)18-7-19-85-47-44(99-109(76,77)78)41(38(95-105(64,65)66)35(90-47)23-87-102(55,56)57)93-48-45(100-110(79,80)81)42(39(96-106(67,68)69)36(91-48)24-88-103(58,59)60)94-49-46(101-111(82,83)84)43(98-108(73,74)75)40(97-107(70,71)72)37(92-49)25-89-104(61,62)63/h21,26-28,30-49H,6-20,22-25H2,1-5H3,(H,55,56,57)(H,58,59,60)(H,61,62,63)(H,64,65,66)(H,67,68,69)(H,70,71,72)(H,73,74,75)(H,76,77,78)(H,79,80,81)(H,82,83,84)/p-10/t27-,28+,30+,31+,32-,33+,34+,35-,36-,37-,38-,39-,40-,41+,42+,43+,44+,45+,46+,47+,48-,49-,50+,51-/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	14.3	n/a	n/a	n/a	n/a	n/a
Progen Pharmaceuticals Limited Curated by ChEMBL					Assay Description Binding affinity to FGF-1 by surface plasmon resonance assay				J Med Chem 55: 3804-13 (2012) Article DOI: 10.1021/jm201708h BindingDB Entry DOI: 10.7270/Q2G161WN
					More data for this Ligand-Target Pair
Fibroblast growth factor 2 (Homo sapiens (Human))	BDBM50388332 (CHEMBL2059498) Show SMILES CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OCc1cn(CCCO[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](O[C@H]4O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@@H]4OS([O-])(=O)=O)[C@@H]3OS([O-])(=O)=O)[C@@H]2OS([O-])(=O)=O)nn1 |r| Show InChI InChI=1S/C51H87N3O47S10/c1-26(2)8-6-9-27(3)32-12-13-33-31-11-10-28-20-30(14-16-50(28,4)34(31)15-17-51(32,33)5)86-22-29-21-54(53-52-29)18-7-19-85-47-44(99-109(76,77)78)41(38(95-105(64,65)66)35(90-47)23-87-102(55,56)57)93-48-45(100-110(79,80)81)42(39(96-106(67,68)69)36(91-48)24-88-103(58,59)60)94-49-46(101-111(82,83)84)43(98-108(73,74)75)40(97-107(70,71)72)37(92-49)25-89-104(61,62)63/h21,26-28,30-49H,6-20,22-25H2,1-5H3,(H,55,56,57)(H,58,59,60)(H,61,62,63)(H,64,65,66)(H,67,68,69)(H,70,71,72)(H,73,74,75)(H,76,77,78)(H,79,80,81)(H,82,83,84)/p-10/t27-,28+,30+,31+,32-,33+,34+,35-,36-,37-,38-,39-,40-,41+,42+,43+,44+,45+,46+,47+,48-,49-,50+,51-/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	474	n/a	n/a	n/a	n/a	n/a
Progen Pharmaceuticals Limited Curated by ChEMBL					Assay Description Binding affinity to FGF-2 by surface plasmon resonance assay				J Med Chem 55: 3804-13 (2012) Article DOI: 10.1021/jm201708h BindingDB Entry DOI: 10.7270/Q2G161WN
					More data for this Ligand-Target Pair