BDBM81074 1-[[1-(1-phenylethyl)-3-pyrrolidinyl]methyl]-3-(2,4,6-trimethylphenyl)thiourea::1-[[1-(1-phenylethyl)pyrrolidin-3-yl]methyl]-3-(2,4,6-trimethylphenyl)thiourea::1-mesityl-3-[[1-(1-phenylethyl)pyrrolidin-3-yl]methyl]thiourea::MLS000682538::N-mesityl-N'-{[1-(1-phenylethyl)pyrrolidin-3-yl]methyl}thiourea::SMR000311895::cid_4559464

SMILES: CC(N1CCC(CNC(=S)Nc2c(C)cc(C)cc2C)C1)c1ccccc1

InChI Key: InChIKey=AQNQKVLAOFOLOO-UHFFFAOYSA-N

Data: 9 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 9 hits for monomerid = 81074   

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
Glucose 6-phosphate dehydrogenase (G6PD) (Homo sapiens (Human))	BDBM81074 (1-[[1-(1-phenylethyl)-3-pyrrolidinyl]methyl]-3-(2,...) Show SMILES CC(N1CCC(CNC(=S)Nc2c(C)cc(C)cc2C)C1)c1ccccc1 Show InChI InChI=1S/C23H31N3S/c1-16-12-17(2)22(18(3)13-16)25-23(27)24-14-20-10-11-26(15-20)19(4)21-8-6-5-7-9-21/h5-9,12-13,19-20H,10-11,14-15H2,1-4H3,(H2,24,25,27)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	>8.00E+4	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 CA...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2V12389
					More data for this Ligand-Target Pair
glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase (Plasmodium falciparum 3D7)	BDBM81074 (1-[[1-(1-phenylethyl)-3-pyrrolidinyl]methyl]-3-(2,...) Show SMILES CC(N1CCC(CNC(=S)Nc2c(C)cc(C)cc2C)C1)c1ccccc1 Show InChI InChI=1S/C23H31N3S/c1-16-12-17(2)22(18(3)13-16)25-23(27)24-14-20-10-11-26(15-20)19(4)21-8-6-5-7-9-21/h5-9,12-13,19-20H,10-11,14-15H2,1-4H3,(H2,24,25,27)	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	1.48E+4	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 CA...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2ZS2TZG
					More data for this Ligand-Target Pair
glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase (Plasmodium falciparum 3D7)	BDBM81074 (1-[[1-(1-phenylethyl)-3-pyrrolidinyl]methyl]-3-(2,...) Show SMILES CC(N1CCC(CNC(=S)Nc2c(C)cc(C)cc2C)C1)c1ccccc1 Show InChI InChI=1S/C23H31N3S/c1-16-12-17(2)22(18(3)13-16)25-23(27)24-14-20-10-11-26(15-20)19(4)21-8-6-5-7-9-21/h5-9,12-13,19-20H,10-11,14-15H2,1-4H3,(H2,24,25,27)	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	6.41E+4	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 CA...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q27H1H3W
					More data for this Ligand-Target Pair
glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase (Plasmodium falciparum 3D7)	BDBM81074 (1-[[1-(1-phenylethyl)-3-pyrrolidinyl]methyl]-3-(2,...) Show SMILES CC(N1CCC(CNC(=S)Nc2c(C)cc(C)cc2C)C1)c1ccccc1 Show InChI InChI=1S/C23H31N3S/c1-16-12-17(2)22(18(3)13-16)25-23(27)24-14-20-10-11-26(15-20)19(4)21-8-6-5-7-9-21/h5-9,12-13,19-20H,10-11,14-15H2,1-4H3,(H2,24,25,27)	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	>8.00E+4	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 CA...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q23T9FQ1
					More data for this Ligand-Target Pair
Hematopoietic cell protein-tyrosine phosphatase 70Z-PEP (Homo sapiens (Human))	BDBM81074 (1-[[1-(1-phenylethyl)-3-pyrrolidinyl]methyl]-3-(2,...) Show SMILES CC(N1CCC(CNC(=S)Nc2c(C)cc(C)cc2C)C1)c1ccccc1 Show InChI InChI=1S/C23H31N3S/c1-16-12-17(2)22(18(3)13-16)25-23(27)24-14-20-10-11-26(15-20)19(4)21-8-6-5-7-9-21/h5-9,12-13,19-20H,10-11,14-15H2,1-4H3,(H2,24,25,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	4.84E+4	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 (2012) BindingDB Entry DOI: 10.7270/Q2FQ9V6B
					More data for this Ligand-Target Pair
Dual specificity protein phosphatase (VHR) (Homo sapiens (Human))	BDBM81074 (1-[[1-(1-phenylethyl)-3-pyrrolidinyl]methyl]-3-(2,...) Show SMILES CC(N1CCC(CNC(=S)Nc2c(C)cc(C)cc2C)C1)c1ccccc1 Show InChI InChI=1S/C23H31N3S/c1-16-12-17(2)22(18(3)13-16)25-23(27)24-14-20-10-11-26(15-20)19(4)21-8-6-5-7-9-21/h5-9,12-13,19-20H,10-11,14-15H2,1-4H3,(H2,24,25,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	343	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 (2012) BindingDB Entry DOI: 10.7270/Q2959G44
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM81074 (1-[[1-(1-phenylethyl)-3-pyrrolidinyl]methyl]-3-(2,...) Show SMILES CC(N1CCC(CNC(=S)Nc2c(C)cc(C)cc2C)C1)c1ccccc1 Show InChI InChI=1S/C23H31N3S/c1-16-12-17(2)22(18(3)13-16)25-23(27)24-14-20-10-11-26(15-20)19(4)21-8-6-5-7-9-21/h5-9,12-13,19-20H,10-11,14-15H2,1-4H3,(H2,24,25,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	934	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 (2012) BindingDB Entry DOI: 10.7270/Q2T43RPN
					More data for this Ligand-Target Pair
tyrosine-protein phosphatase non-receptor type 5 isoform a (Homo sapiens (Human))	BDBM81074 (1-[[1-(1-phenylethyl)-3-pyrrolidinyl]methyl]-3-(2,...) Show SMILES CC(N1CCC(CNC(=S)Nc2c(C)cc(C)cc2C)C1)c1ccccc1 Show InChI InChI=1S/C23H31N3S/c1-16-12-17(2)22(18(3)13-16)25-23(27)24-14-20-10-11-26(15-20)19(4)21-8-6-5-7-9-21/h5-9,12-13,19-20H,10-11,14-15H2,1-4H3,(H2,24,25,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	1.21E+4	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 (2012) BindingDB Entry DOI: 10.7270/Q2KH0KWR
					More data for this Ligand-Target Pair
tyrosine-protein phosphatase non-receptor type 5 isoform a (Homo sapiens (Human))	BDBM81074 (1-[[1-(1-phenylethyl)-3-pyrrolidinyl]methyl]-3-(2,...) Show SMILES CC(N1CCC(CNC(=S)Nc2c(C)cc(C)cc2C)C1)c1ccccc1 Show InChI InChI=1S/C23H31N3S/c1-16-12-17(2)22(18(3)13-16)25-23(27)24-14-20-10-11-26(15-20)19(4)21-8-6-5-7-9-21/h5-9,12-13,19-20H,10-11,14-15H2,1-4H3,(H2,24,25,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	6.09E+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 (2012) BindingDB Entry DOI: 10.7270/Q2DV1HGT
					More data for this Ligand-Target Pair