BDBM39589 MLS000069150::SMR000039131::cid_6603438

SMILES: Cl.CC1(C)Cc2c(CO1)sc1nc3CCCCCn3c(=N)c21

InChI Key: InChIKey=QMTMSBUAHWGBCA-SBBUSYCLSA-N

Data: 2 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 = 39589   

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))	BDBM39589 (MLS000069150 | SMR000039131 | cid_6603438) Show SMILES Cl.CC1(C)Cc2c(CO1)sc1nc3CCCCCn3c(=N)c21 Show InChI InChI=1S/C16H21N3OS.ClH/c1-16(2)8-10-11(9-20-16)21-15-13(10)14(17)19-7-5-3-4-6-12(19)18-15;/h17H,3-9H2,1-2H3;1H/b17-14-;	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PCBioAssay	n/a	n/a	1.88E+3	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))	BDBM39589 (MLS000069150 | SMR000039131 | cid_6603438) Show SMILES Cl.CC1(C)Cc2c(CO1)sc1nc3CCCCCn3c(=N)c21 Show InChI InChI=1S/C16H21N3OS.ClH/c1-16(2)8-10-11(9-20-16)21-15-13(10)14(17)19-7-5-3-4-6-12(19)18-15;/h17H,3-9H2,1-2H3;1H/b17-14-;	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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))	BDBM39589 (MLS000069150 | SMR000039131 | cid_6603438) Show SMILES Cl.CC1(C)Cc2c(CO1)sc1nc3CCCCCn3c(=N)c21 Show InChI InChI=1S/C16H21N3OS.ClH/c1-16(2)8-10-11(9-20-16)21-15-13(10)14(17)19-7-5-3-4-6-12(19)18-15;/h17H,3-9H2,1-2H3;1H/b17-14-;	KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PCBioAssay	n/a	n/a	9.50E+3	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