BDBM61178 2-[4-[[6-carbethoxy-5-(4-isopropoxyphenyl)-3-keto-7-methyl-5H-thiazolo[3,2-a]pyrimidin-2-ylidene]methyl]phenoxy]acetic acid::2-[4-[[6-ethoxycarbonyl-7-methyl-3-oxidanylidene-5-(4-propan-2-yloxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-ylidene]methyl]phenoxy]ethanoic acid::2-[4-[[6-ethoxycarbonyl-7-methyl-3-oxo-5-(4-propan-2-yloxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-ylidene]methyl]phenoxy]acetic acid::2-[4-[[6-ethoxycarbonyl-7-methyl-3-oxo-5-(4-propan-2-yloxyphenyl)-5H-thiazolo[3,2-a]pyrimidin-2-ylidene]methyl]phenoxy]acetic acid::MLS000704846::SMR000231562::cid_4440333::{4-[(6-(ethoxycarbonyl)-5-(4-isopropoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene)methyl]phenoxy}acetic acid

SMILES: CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OCC(O)=O)cc3)c(=O)n2C1c1ccc(OC(C)C)cc1

InChI Key: InChIKey=CXGODKZKOKXDJR-UHFFFAOYSA-N

Data: 7 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 7 hits for monomerid = 61178   

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
ubiquitin-conjugating enzyme E2I (Homo sapiens (Human))	BDBM61178 (2-[4-[[6-carbethoxy-5-(4-isopropoxyphenyl)-3-keto-...) Show SMILES CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OCC(O)=O)cc3)c(=O)n2C1c1ccc(OC(C)C)cc1 |c:5,t:8| Show InChI InChI=1S/C28H28N2O7S/c1-5-35-27(34)24-17(4)29-28-30(25(24)19-8-12-21(13-9-19)37-16(2)3)26(33)22(38-28)14-18-6-10-20(11-7-18)36-15-23(31)32/h6-14,16,25H,5,15H2,1-4H3,(H,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.01E+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 (2010) BindingDB Entry DOI: 10.7270/Q2V986G8
					More data for this Ligand-Target Pair
SUMO1 activating enzyme subunit 1 (Homo sapiens (Human))	BDBM61178 (2-[4-[[6-carbethoxy-5-(4-isopropoxyphenyl)-3-keto-...) Show SMILES CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OCC(O)=O)cc3)c(=O)n2C1c1ccc(OC(C)C)cc1 |c:5,t:8| Show InChI InChI=1S/C28H28N2O7S/c1-5-35-27(34)24-17(4)29-28-30(25(24)19-8-12-21(13-9-19)37-16(2)3)26(33)22(38-28)14-18-6-10-20(11-7-18)36-15-23(31)32/h6-14,16,25H,5,15H2,1-4H3,(H,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	2.60E+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 (2010) BindingDB Entry DOI: 10.7270/Q2BP0175
					More data for this Ligand-Target Pair
envelope glycoprotein (Human immunodeficiency virus 1)	BDBM61178 (2-[4-[[6-carbethoxy-5-(4-isopropoxyphenyl)-3-keto-...) Show SMILES CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OCC(O)=O)cc3)c(=O)n2C1c1ccc(OC(C)C)cc1 |c:5,t:8| Show InChI InChI=1S/C28H28N2O7S/c1-5-35-27(34)24-17(4)29-28-30(25(24)19-8-12-21(13-9-19)37-16(2)3)26(33)22(38-28)14-18-6-10-20(11-7-18)36-15-23(31)32/h6-14,16,25H,5,15H2,1-4H3,(H,31,32)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	6.64E+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: Burnham Center for Chemical Genomics (BCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Networ...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2KD1WBN
					More data for this Ligand-Target Pair
tyrosine-protein phosphatase non-receptor type 12 isoform 2 (Homo sapiens (Human))	BDBM61178 (2-[4-[[6-carbethoxy-5-(4-isopropoxyphenyl)-3-keto-...) Show SMILES CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OCC(O)=O)cc3)c(=O)n2C1c1ccc(OC(C)C)cc1 |c:5,t:8| Show InChI InChI=1S/C28H28N2O7S/c1-5-35-27(34)24-17(4)29-28-30(25(24)19-8-12-21(13-9-19)37-16(2)3)26(33)22(38-28)14-18-6-10-20(11-7-18)36-15-23(31)32/h6-14,16,25H,5,15H2,1-4H3,(H,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	3.85E+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 (2010) BindingDB Entry DOI: 10.7270/Q28G8J5T
					More data for this Ligand-Target Pair
Hematopoietic cell protein-tyrosine phosphatase 70Z-PEP (Homo sapiens (Human))	BDBM61178 (2-[4-[[6-carbethoxy-5-(4-isopropoxyphenyl)-3-keto-...) Show SMILES CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OCC(O)=O)cc3)c(=O)n2C1c1ccc(OC(C)C)cc1 |c:5,t:8| Show InChI InChI=1S/C28H28N2O7S/c1-5-35-27(34)24-17(4)29-28-30(25(24)19-8-12-21(13-9-19)37-16(2)3)26(33)22(38-28)14-18-6-10-20(11-7-18)36-15-23(31)32/h6-14,16,25H,5,15H2,1-4H3,(H,31,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	4.51E+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 (2010) BindingDB Entry DOI: 10.7270/Q2QZ28FP
					More data for this Ligand-Target Pair
Hematopoietic cell protein-tyrosine phosphatase 70Z-PEP (Homo sapiens (Human))	BDBM61178 (2-[4-[[6-carbethoxy-5-(4-isopropoxyphenyl)-3-keto-...) Show SMILES CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OCC(O)=O)cc3)c(=O)n2C1c1ccc(OC(C)C)cc1 |c:5,t:8| Show InChI InChI=1S/C28H28N2O7S/c1-5-35-27(34)24-17(4)29-28-30(25(24)19-8-12-21(13-9-19)37-16(2)3)26(33)22(38-28)14-18-6-10-20(11-7-18)36-15-23(31)32/h6-14,16,25H,5,15H2,1-4H3,(H,31,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	2.57E+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 (2010) BindingDB Entry DOI: 10.7270/Q2M9073J
					More data for this Ligand-Target Pair
envelope glycoprotein (Human immunodeficiency virus 1)	BDBM61178 (2-[4-[[6-carbethoxy-5-(4-isopropoxyphenyl)-3-keto-...) Show SMILES CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OCC(O)=O)cc3)c(=O)n2C1c1ccc(OC(C)C)cc1 |c:5,t:8| Show InChI InChI=1S/C28H28N2O7S/c1-5-35-27(34)24-17(4)29-28-30(25(24)19-8-12-21(13-9-19)37-16(2)3)26(33)22(38-28)14-18-6-10-20(11-7-18)36-15-23(31)32/h6-14,16,25H,5,15H2,1-4H3,(H,31,32)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	4.45E+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: Burnham Center for Chemical Genomics (BCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Networ...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q20G3HMV
					More data for this Ligand-Target Pair