BDBM39626 2-(3-benzyl-1H-1,2,4-triazol-5-yl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione::2-(5-benzyl-1H-1,2,4-triazol-3-yl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione::2-(5-benzyl-1H-1,2,4-triazol-3-yl)-3a,4,7,7a-tetrahydroisoindole-1,3-quinone::2-[5-(phenylmethyl)-1H-1,2,4-triazol-3-yl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione::MLS000100008::SMR000081666::cid_2975791

SMILES: Oc1c2CC=CCc2c(O)n1-c1nnc(Cc2ccccc2)[nH]1

InChI Key: InChIKey=SFODJKYRFULPDQ-UHFFFAOYSA-N

Data: 9 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 10 hits for monomerid = 39626   

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
Alkaline phosphatase placental-like (Homo sapiens (Human))	BDBM39626 (2-(3-benzyl-1H-1,2,4-triazol-5-yl)-3a,4,7,7a-tetra...) Show SMILES Oc1c2CC=CCc2c(O)n1-c1nnc(Cc2ccccc2)[nH]1 |c:4| Show InChI InChI=1S/C17H16N4O2/c22-15-12-8-4-5-9-13(12)16(23)21(15)17-18-14(19-20-17)10-11-6-2-1-3-7-11/h1-7,22-23H,8-10H2,(H,18,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	9.99E+5	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) NIH Molecular Libraries Screen...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2MS3R5M
					More data for this Ligand-Target Pair
Alkaline phosphatase placental-like (Homo sapiens (Human))	BDBM39626 (2-(3-benzyl-1H-1,2,4-triazol-5-yl)-3a,4,7,7a-tetra...) Show SMILES Oc1c2CC=CCc2c(O)n1-c1nnc(Cc2ccccc2)[nH]1 |c:4| Show InChI InChI=1S/C17H16N4O2/c22-15-12-8-4-5-9-13(12)16(23)21(15)17-18-14(19-20-17)10-11-6-2-1-3-7-11/h1-7,22-23H,8-10H2,(H,18,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	539	n/a	n/a	n/a	n/a	n/a	n/a
Sanford-Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2JQ0ZDS
					More data for this Ligand-Target Pair
Alkaline phosphatase placental-like (Homo sapiens (Human))	BDBM39626 (2-(3-benzyl-1H-1,2,4-triazol-5-yl)-3a,4,7,7a-tetra...) Show SMILES Oc1c2CC=CCc2c(O)n1-c1nnc(Cc2ccccc2)[nH]1 |c:4| Show InChI InChI=1S/C17H16N4O2/c22-15-12-8-4-5-9-13(12)16(23)21(15)17-18-14(19-20-17)10-11-6-2-1-3-7-11/h1-7,22-23H,8-10H2,(H,18,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	922	n/a	n/a	n/a	n/a	n/a	n/a
Sanford-Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2JQ0ZDS
					More data for this Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme (Homo sapiens (Human))	BDBM39626 (2-(3-benzyl-1H-1,2,4-triazol-5-yl)-3a,4,7,7a-tetra...) Show SMILES Oc1c2CC=CCc2c(O)n1-c1nnc(Cc2ccccc2)[nH]1 |c:4| Show InChI InChI=1S/C17H16N4O2/c22-15-12-8-4-5-9-13(12)16(23)21(15)17-18-14(19-20-17)10-11-6-2-1-3-7-11/h1-7,22-23H,8-10H2,(H,18,19,20)	KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	330	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) NIH Molecular Libraries Screen...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2SX6BMJ
					More data for this Ligand-Target Pair
Alkaline phosphatase placental-like (Homo sapiens (Human))	BDBM39626 (2-(3-benzyl-1H-1,2,4-triazol-5-yl)-3a,4,7,7a-tetra...) Show SMILES Oc1c2CC=CCc2c(O)n1-c1nnc(Cc2ccccc2)[nH]1 |c:4| Show InChI InChI=1S/C17H16N4O2/c22-15-12-8-4-5-9-13(12)16(23)21(15)17-18-14(19-20-17)10-11-6-2-1-3-7-11/h1-7,22-23H,8-10H2,(H,18,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	n/a	n/a	9.99E+5	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) NIH Molecular Libraries Screen...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2RV0M49
					More data for this Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme (Homo sapiens (Human))	BDBM39626 (2-(3-benzyl-1H-1,2,4-triazol-5-yl)-3a,4,7,7a-tetra...) Show SMILES Oc1c2CC=CCc2c(O)n1-c1nnc(Cc2ccccc2)[nH]1 |c:4| Show InChI InChI=1S/C17H16N4O2/c22-15-12-8-4-5-9-13(12)16(23)21(15)17-18-14(19-20-17)10-11-6-2-1-3-7-11/h1-7,22-23H,8-10H2,(H,18,19,20)	KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	172	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) NIH Molecular Libraries Screen...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2CR5RRG
					More data for this Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme (Homo sapiens (Human))	BDBM39626 (2-(3-benzyl-1H-1,2,4-triazol-5-yl)-3a,4,7,7a-tetra...) Show SMILES Oc1c2CC=CCc2c(O)n1-c1nnc(Cc2ccccc2)[nH]1 |c:4| Show InChI InChI=1S/C17H16N4O2/c22-15-12-8-4-5-9-13(12)16(23)21(15)17-18-14(19-20-17)10-11-6-2-1-3-7-11/h1-7,22-23H,8-10H2,(H,18,19,20)	KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	126	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) NIH Molecular Libraries Screen...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2CR5RRG
					More data for this Ligand-Target Pair
Alkaline phosphatase placental-like (Homo sapiens (Human))	BDBM39626 (2-(3-benzyl-1H-1,2,4-triazol-5-yl)-3a,4,7,7a-tetra...) Show SMILES Oc1c2CC=CCc2c(O)n1-c1nnc(Cc2ccccc2)[nH]1 |c:4| Show InChI InChI=1S/C17H16N4O2/c22-15-12-8-4-5-9-13(12)16(23)21(15)17-18-14(19-20-17)10-11-6-2-1-3-7-11/h1-7,22-23H,8-10H2,(H,18,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	3.25E+3	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q29S1PG8
					More data for this Ligand-Target Pair
Alkaline phosphatase placental-like (Homo sapiens (Human))	BDBM39626 (2-(3-benzyl-1H-1,2,4-triazol-5-yl)-3a,4,7,7a-tetra...) Show SMILES Oc1c2CC=CCc2c(O)n1-c1nnc(Cc2ccccc2)[nH]1 |c:4| Show InChI InChI=1S/C17H16N4O2/c22-15-12-8-4-5-9-13(12)16(23)21(15)17-18-14(19-20-17)10-11-6-2-1-3-7-11/h1-7,22-23H,8-10H2,(H,18,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	2.04E+3	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q29S1PG8
					More data for this Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme (Homo sapiens (Human))	BDBM39626 (2-(3-benzyl-1H-1,2,4-triazol-5-yl)-3a,4,7,7a-tetra...) Show SMILES Oc1c2CC=CCc2c(O)n1-c1nnc(Cc2ccccc2)[nH]1 |c:4| Show InChI InChI=1S/C17H16N4O2/c22-15-12-8-4-5-9-13(12)16(23)21(15)17-18-14(19-20-17)10-11-6-2-1-3-7-11/h1-7,22-23H,8-10H2,(H,18,19,20)	KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	169	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) NIH Molecular Libraries Screen...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2CR5RRG
					More data for this Ligand-Target Pair