null

SMILES: O[C@@H]1[C@H](O)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@@H](O)[C@@H]1OP(O)(=O)OCCCNC(=O)CCCc1ccc2ccc3cccc4ccc1c2c34

InChI Key: InChIKey=CKAWUTLAQPXABN-OFJDXLRISA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50111931   

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
Inositol 1,4,5-trisphosphate receptor type 1 (Homo sapiens (Human))	BDBM50111931 (CHEMBL434103 | Phosphoric acid 3-(4-pyren-1-yl-but...) Show SMILES O[C@@H]1[C@H](O)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@@H](O)[C@@H]1OP(O)(=O)OCCCNC(=O)CCCc1ccc2ccc3cccc4ccc1c2c34 Show InChI InChI=1S/C29H36NO16P3/c31-21(7-2-4-16-8-9-19-11-10-17-5-1-6-18-12-13-20(16)23(19)22(17)18)30-14-3-15-43-49(41,42)46-27-24(32)25(33)28(44-47(35,36)37)29(26(27)34)45-48(38,39)40/h1,5-6,8-13,24-29,32-34H,2-4,7,14-15H2,(H,30,31)(H,41,42)(H2,35,36,37)(H2,38,39,40)/t24-,25+,26+,27-,28-,29-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Dissociation constant of the compound was determined using IP3-binding domain (IBD) of human Type 1 inositol 1,4,5-trisphosphate receptor				Bioorg Med Chem Lett 12: 911-3 (2002) BindingDB Entry DOI: 10.7270/Q2HX1C0H
					More data for this Ligand-Target Pair
Inositol 1,4,5-trisphosphate receptor type 1 (Homo sapiens (Human))	BDBM50111931 (CHEMBL434103 | Phosphoric acid 3-(4-pyren-1-yl-but...) Show SMILES O[C@@H]1[C@H](O)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@@H](O)[C@@H]1OP(O)(=O)OCCCNC(=O)CCCc1ccc2ccc3cccc4ccc1c2c34 Show InChI InChI=1S/C29H36NO16P3/c31-21(7-2-4-16-8-9-19-11-10-17-5-1-6-18-12-13-20(16)23(19)22(17)18)30-14-3-15-43-49(41,42)46-27-24(32)25(33)28(44-47(35,36)37)29(26(27)34)45-48(38,39)40/h1,5-6,8-13,24-29,32-34H,2-4,7,14-15H2,(H,30,31)(H,41,42)(H2,35,36,37)(H2,38,39,40)/t24-,25+,26+,27-,28-,29-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Dissociation constant of the compound was determined using IP3-binding domain (IBD) of human Type 1 inositol 1,4,5-trisphosphate receptor				Bioorg Med Chem Lett 12: 911-3 (2002) BindingDB Entry DOI: 10.7270/Q2HX1C0H
					More data for this Ligand-Target Pair