BDBM50439705 CHEMBL2418932

SMILES: CC(O)C(NC(=O)c1ccc(nc1)N1CCC(CCCC2CCN(CC2)C(=O)CCC(=O)c2ccccc2)CC1)C(N)=O

InChI Key: InChIKey=UNYDCPZBDQWQEG-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 = 50439705   

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))	BDBM50439705 (CHEMBL2418932) Show SMILES CC(O)C(NC(=O)c1ccc(nc1)N1CCC(CCCC2CCN(CC2)C(=O)CCC(=O)c2ccccc2)CC1)C(N)=O Show InChI InChI=1S/C33H45N5O5/c1-23(39)31(32(34)42)36-33(43)27-10-12-29(35-22-27)37-18-14-24(15-19-37)6-5-7-25-16-20-38(21-17-25)30(41)13-11-28(40)26-8-3-2-4-9-26/h2-4,8-10,12,22-25,31,39H,5-7,11,13-21H2,1H3,(H2,34,42)(H,36,43)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	500	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))	BDBM50439705 (CHEMBL2418932) Show SMILES CC(O)C(NC(=O)c1ccc(nc1)N1CCC(CCCC2CCN(CC2)C(=O)CCC(=O)c2ccccc2)CC1)C(N)=O Show InChI InChI=1S/C33H45N5O5/c1-23(39)31(32(34)42)36-33(43)27-10-12-29(35-22-27)37-18-14-24(15-19-37)6-5-7-25-16-20-38(21-17-25)30(41)13-11-28(40)26-8-3-2-4-9-26/h2-4,8-10,12,22-25,31,39H,5-7,11,13-21H2,1H3,(H2,34,42)(H,36,43)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	900	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