BDBM32303 4-chloro-3-nitro-benzoic acid [6-[[(4,6-dimethylpyrimidin-2-yl)thio]methyl]-4-keto-pyran-3-yl] ester::4-chloro-3-nitrobenzoic acid [6-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]-4-oxo-3-pyranyl] ester::MLS000696800::SMR000237278::[6-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-4-oxidanylidene-pyran-3-yl] 4-chloranyl-3-nitro-benzoate::[6-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-4-oxopyran-3-yl] 4-chloro-3-nitrobenzoate::cid_12005789

SMILES: Cc1cc(C)nc(SCc2cc(=O)c(OC(=O)c3ccc(Cl)c(c3)[N+]([O-])=O)co2)n1

InChI Key: InChIKey=LYTCAPKEYMWZCZ-UHFFFAOYSA-N

Data: 7 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 7 hits for monomerid = 32303   

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
Isoform Bcl-X(L) (Homo sapiens (Human))	BDBM32303 (4-chloro-3-nitro-benzoic acid [6-[[(4,6-dimethylpy...) Show SMILES Cc1cc(C)nc(SCc2cc(=O)c(OC(=O)c3ccc(Cl)c(c3)[N+]([O-])=O)co2)n1 Show InChI InChI=1S/C19H14ClN3O6S/c1-10-5-11(2)22-19(21-10)30-9-13-7-16(24)17(8-28-13)29-18(25)12-3-4-14(20)15(6-12)23(26)27/h3-8H,9H2,1-2H3	PDB MMDB B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	5.09E+3	n/a	n/a	7.4	4
NMMLSC Curated by PubChem BioAssay					Assay Description The HTS assay was conducted in 384-well microplates in a total assay volume per well of 10.1 microliters (5 microliters of bead mixture, 0.1 microlit...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2K935WV
					More data for this Ligand-Target Pair
Bcl-2-related protein A1 (Homo sapiens (Human))	BDBM32303 (4-chloro-3-nitro-benzoic acid [6-[[(4,6-dimethylpy...) Show SMILES Cc1cc(C)nc(SCc2cc(=O)c(OC(=O)c3ccc(Cl)c(c3)[N+]([O-])=O)co2)n1 Show InChI InChI=1S/C19H14ClN3O6S/c1-10-5-11(2)22-19(21-10)30-9-13-7-16(24)17(8-28-13)29-18(25)12-3-4-14(20)15(6-12)23(26)27/h3-8H,9H2,1-2H3	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	1.97E+4	n/a	n/a	7.4	4
NMMLSC Curated by PubChem BioAssay					Assay Description The multiplex is constructed by using beads for each protein target that have been labeled with varying intensities of red color, so that each assay ...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2CN728N
					More data for this Ligand-Target Pair
glutathione S-transferase (Homo sapiens (Human))	BDBM32303 (4-chloro-3-nitro-benzoic acid [6-[[(4,6-dimethylpy...) Show SMILES Cc1cc(C)nc(SCc2cc(=O)c(OC(=O)c3ccc(Cl)c(c3)[N+]([O-])=O)co2)n1 Show InChI InChI=1S/C19H14ClN3O6S/c1-10-5-11(2)22-19(21-10)30-9-13-7-16(24)17(8-28-13)29-18(25)12-3-4-14(20)15(6-12)23(26)27/h3-8H,9H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	6.13E+3	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: NIH 1X01 MH079850-01 HTS to identify small molecule regulators of Bcl-2 family protein int...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2M61HPT
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM32303 (4-chloro-3-nitro-benzoic acid [6-[[(4,6-dimethylpy...) Show SMILES Cc1cc(C)nc(SCc2cc(=O)c(OC(=O)c3ccc(Cl)c(c3)[N+]([O-])=O)co2)n1 Show InChI InChI=1S/C19H14ClN3O6S/c1-10-5-11(2)22-19(21-10)30-9-13-7-16(24)17(8-28-13)29-18(25)12-3-4-14(20)15(6-12)23(26)27/h3-8H,9H2,1-2H3	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	5.92E+3	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: NIH 1X01 MH079850-01 HTS to identify small molecule regulators of Bcl-2 family protein int...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2697202
					More data for this Ligand-Target Pair
BCL-W (Homo sapiens (Human))	BDBM32303 (4-chloro-3-nitro-benzoic acid [6-[[(4,6-dimethylpy...) Show SMILES Cc1cc(C)nc(SCc2cc(=O)c(OC(=O)c3ccc(Cl)c(c3)[N+]([O-])=O)co2)n1 Show InChI InChI=1S/C19H14ClN3O6S/c1-10-5-11(2)22-19(21-10)30-9-13-7-16(24)17(8-28-13)29-18(25)12-3-4-14(20)15(6-12)23(26)27/h3-8H,9H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	6.18E+3	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: NIH 1X01 MH079850-01 HTS to identify small molecule regulators of Bcl-2 family protein int...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2BR8QM3
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM32303 (4-chloro-3-nitro-benzoic acid [6-[[(4,6-dimethylpy...) Show SMILES Cc1cc(C)nc(SCc2cc(=O)c(OC(=O)c3ccc(Cl)c(c3)[N+]([O-])=O)co2)n1 Show InChI InChI=1S/C19H14ClN3O6S/c1-10-5-11(2)22-19(21-10)30-9-13-7-16(24)17(8-28-13)29-18(25)12-3-4-14(20)15(6-12)23(26)27/h3-8H,9H2,1-2H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	8.45E+3	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: NIH 1X01 MH079850-01 HTS to identify small molecule regulators of Bcl-2 family protein int...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2B27SQ0
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-B (Bcl-2-like 10 protein) (Bcl2-L-10) (Anti-apoptotic protein NrH). (Homo sapiens (Human))	BDBM32303 (4-chloro-3-nitro-benzoic acid [6-[[(4,6-dimethylpy...) Show SMILES Cc1cc(C)nc(SCc2cc(=O)c(OC(=O)c3ccc(Cl)c(c3)[N+]([O-])=O)co2)n1 Show InChI InChI=1S/C19H14ClN3O6S/c1-10-5-11(2)22-19(21-10)30-9-13-7-16(24)17(8-28-13)29-18(25)12-3-4-14(20)15(6-12)23(26)27/h3-8H,9H2,1-2H3	PDB KEGG B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	1.51E+3	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: NIH 1X01 MH079850-01 HTS to identify small molecule regulators of Bcl-2 family protein int...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2GH9GBT
					More data for this Ligand-Target Pair