BDBM50439709 CHEMBL2418931

SMILES: CC(C)c1ccc(OCC(=O)N2CCN(CC2C)c2ccc(cn2)C(=O)N2CCCC2C(N)=O)cc1

InChI Key: InChIKey=KNDZXIWRAPLXIX-UHFFFAOYSA-N

Data: 1 KI  1 IC50

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 2 hits for monomerid = 50439709   

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
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50439709 (CHEMBL2418931) Show SMILES CC(C)c1ccc(OCC(=O)N2CCN(CC2C)c2ccc(cn2)C(=O)N2CCCC2C(N)=O)cc1 Show InChI InChI=1S/C27H35N5O4/c1-18(2)20-6-9-22(10-7-20)36-17-25(33)31-14-13-30(16-19(31)3)24-11-8-21(15-29-24)27(35)32-12-4-5-23(32)26(28)34/h6-11,15,18-19,23H,4-5,12-14,16-17H2,1-3H3,(H2,28,34)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Memphis Curated by ChEMBL					Assay Description Competitive inhibition of C-terminal FLAG-tagged human recombinant autotaxin using synthetic substrate FS-3 by Michaelis-Menten equation analysis				Bioorg Med Chem 21: 5548-60 (2013) Article DOI: 10.1016/j.bmc.2013.05.061 BindingDB Entry DOI: 10.7270/Q2SF2XKS
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50439709 (CHEMBL2418931) Show SMILES CC(C)c1ccc(OCC(=O)N2CCN(CC2C)c2ccc(cn2)C(=O)N2CCCC2C(N)=O)cc1 Show InChI InChI=1S/C27H35N5O4/c1-18(2)20-6-9-22(10-7-20)36-17-25(33)31-14-13-30(16-19(31)3)24-11-8-21(15-29-24)27(35)32-12-4-5-23(32)26(28)34/h6-11,15,18-19,23H,4-5,12-14,16-17H2,1-3H3,(H2,28,34)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Memphis Curated by ChEMBL					Assay Description Inhibition of C-terminal FLAG-tagged human recombinant autotaxin using synthetic substrate FS-3 measured every 2 mins by FRET assay				Bioorg Med Chem 21: 5548-60 (2013) Article DOI: 10.1016/j.bmc.2013.05.061 BindingDB Entry DOI: 10.7270/Q2SF2XKS
					More data for this Ligand-Target Pair