BDBM50439706 CHEMBL2418933

SMILES: CC(C)Cc1ccc(cc1)C(C)C(=O)N1CCC(CCCC2CCN(CC2)c2ccc(cn2)C(=O)NC(C(C)O)C(N)=O)CC1

InChI Key: InChIKey=QERGZKCOSZINMH-UHFFFAOYSA-N

Data: 1 KI  1 IC50  1 EC50

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 = 50439706   

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))	BDBM50439706 (CHEMBL2418933) Show SMILES CC(C)Cc1ccc(cc1)C(C)C(=O)N1CCC(CCCC2CCN(CC2)c2ccc(cn2)C(=O)NC(C(C)O)C(N)=O)CC1 Show InChI InChI=1S/C36H53N5O4/c1-24(2)22-29-8-10-30(11-9-29)25(3)36(45)41-20-16-28(17-21-41)7-5-6-27-14-18-40(19-15-27)32-13-12-31(23-38-32)35(44)39-33(26(4)42)34(37)43/h8-13,23-28,33,42H,5-7,14-22H2,1-4H3,(H2,37,43)(H,39,44)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	800	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))	BDBM50439706 (CHEMBL2418933) Show SMILES CC(C)Cc1ccc(cc1)C(C)C(=O)N1CCC(CCCC2CCN(CC2)c2ccc(cn2)C(=O)NC(C(C)O)C(N)=O)CC1 Show InChI InChI=1S/C36H53N5O4/c1-24(2)22-29-8-10-30(11-9-29)25(3)36(45)41-20-16-28(17-21-41)7-5-6-27-14-18-40(19-15-27)32-13-12-31(23-38-32)35(44)39-33(26(4)42)34(37)43/h8-13,23-28,33,42H,5-7,14-22H2,1-4H3,(H2,37,43)(H,39,44)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	800	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
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50439706 (CHEMBL2418933) Show SMILES CC(C)Cc1ccc(cc1)C(C)C(=O)N1CCC(CCCC2CCN(CC2)c2ccc(cn2)C(=O)NC(C(C)O)C(N)=O)CC1 Show InChI InChI=1S/C36H53N5O4/c1-24(2)22-29-8-10-30(11-9-29)25(3)36(45)41-20-16-28(17-21-41)7-5-6-27-14-18-40(19-15-27)32-13-12-31(23-38-32)35(44)39-33(26(4)42)34(37)43/h8-13,23-28,33,42H,5-7,14-22H2,1-4H3,(H2,37,43)(H,39,44)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	4.31E+3	n/a	n/a	n/a	n/a
The University of Memphis Curated by ChEMBL					Assay Description Activation of C-terminal FLAG-tagged human recombinant autotaxin using paranitrophenyl thymidine monophosphate as substrate measured every 2 mins by ...				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