BDBM50603 (8S)-3-(3-methacrylamidophenyl)-7-(2-methyl-3,5-dinitro-benzoyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-8-carboxamide::(8S)-7-(2-methyl-3,5-dinitro-phenyl)carbonyl-3-[3-(2-methylprop-2-enoylamino)phenyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-8-carboxamide::(8S)-7-(2-methyl-3,5-dinitrobenzoyl)-3-[3-(2-methylprop-2-enoylamino)phenyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-8-carboxamide::(8S)-7-[(2-methyl-3,5-dinitrophenyl)-oxomethyl]-3-[3-[(2-methyl-1-oxoprop-2-enyl)amino]phenyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-8-carboxamide::MLS000561947::SMR000390650::cid_16681840

SMILES: CC(=C)C(=O)Nc1cccc(c1)[C+]1CC2(CC(N(C2)C(=O)c2cc(cc(c2C)[N+]([O-])=O)[N+]([O-])=O)C(N)=O)O[N-]1

InChI Key: InChIKey=VRZLMSMBSGRBMV-UHFFFAOYSA-N

Data: 4 IC50  2 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 6 hits for monomerid = 50603   

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
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50603 ((8S)-3-(3-methacrylamidophenyl)-7-(2-methyl-3,5-di...) Show SMILES CC(=C)C(=O)Nc1cccc(c1)[C+]1CC2(CC(N(C2)C(=O)c2cc(cc(c2C)[N+]([O-])=O)[N+]([O-])=O)C(N)=O)O[N-]1 Show InChI InChI=1S/C25H24N6O8/c1-13(2)23(33)27-16-6-4-5-15(7-16)19-10-25(39-28-19)11-21(22(26)32)29(12-25)24(34)18-8-17(30(35)36)9-20(14(18)3)31(37)38/h4-9,21H,1,10-12H2,2-3H3,(H2,26,32)(H,27,33)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	4.08E+3	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Nikolovska-Coleska, Univer...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q23X8539
					More data for this Ligand-Target Pair
DNA dC->dU-editing enzyme APOBEC-3G (Homo sapiens (Human))	BDBM50603 ((8S)-3-(3-methacrylamidophenyl)-7-(2-methyl-3,5-di...) Show SMILES CC(=C)C(=O)Nc1cccc(c1)[C+]1CC2(CC(N(C2)C(=O)c2cc(cc(c2C)[N+]([O-])=O)[N+]([O-])=O)C(N)=O)O[N-]1 Show InChI InChI=1S/C25H24N6O8/c1-13(2)23(33)27-16-6-4-5-15(7-16)19-10-25(39-28-19)11-21(22(26)32)29(12-25)24(34)18-8-17(30(35)36)9-20(14(18)3)31(37)38/h4-9,21H,1,10-12H2,2-3H3,(H2,26,32)(H,27,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.40E+4	n/a	n/a	n/a	n/a	n/a	25
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 (2011) BindingDB Entry DOI: 10.7270/Q2HQ3XD6
					More data for this Ligand-Target Pair
Apoptotic peptidase activating factor 1 (Homo sapiens (Human))	BDBM50603 ((8S)-3-(3-methacrylamidophenyl)-7-(2-methyl-3,5-di...) Show SMILES CC(=C)C(=O)Nc1cccc(c1)[C+]1CC2(CC(N(C2)C(=O)c2cc(cc(c2C)[N+]([O-])=O)[N+]([O-])=O)C(N)=O)O[N-]1 Show InChI InChI=1S/C25H24N6O8/c1-13(2)23(33)27-16-6-4-5-15(7-16)19-10-25(39-28-19)11-21(22(26)32)29(12-25)24(34)18-8-17(30(35)36)9-20(14(18)3)31(37)38/h4-9,21H,1,10-12H2,2-3H3,(H2,26,32)(H,27,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	1.08E+4	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 (SBIMR, San Diego, C...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q29C6VXX
					More data for this Ligand-Target Pair
carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1 isoform 1 (Homo sapiens (Human))	BDBM50603 ((8S)-3-(3-methacrylamidophenyl)-7-(2-methyl-3,5-di...) Show SMILES CC(=C)C(=O)Nc1cccc(c1)[C+]1CC2(CC(N(C2)C(=O)c2cc(cc(c2C)[N+]([O-])=O)[N+]([O-])=O)C(N)=O)O[N-]1 Show InChI InChI=1S/C25H24N6O8/c1-13(2)23(33)27-16-6-4-5-15(7-16)19-10-25(39-28-19)11-21(22(26)32)29(12-25)24(34)18-8-17(30(35)36)9-20(14(18)3)31(37)38/h4-9,21H,1,10-12H2,2-3H3,(H2,26,32)(H,27,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	4.59E+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 (2011) BindingDB Entry DOI: 10.7270/Q2V986KM
					More data for this Ligand-Target Pair
Apoptotic peptidase activating factor 1 (Homo sapiens (Human))	BDBM50603 ((8S)-3-(3-methacrylamidophenyl)-7-(2-methyl-3,5-di...) Show SMILES CC(=C)C(=O)Nc1cccc(c1)[C+]1CC2(CC(N(C2)C(=O)c2cc(cc(c2C)[N+]([O-])=O)[N+]([O-])=O)C(N)=O)O[N-]1 Show InChI InChI=1S/C25H24N6O8/c1-13(2)23(33)27-16-6-4-5-15(7-16)19-10-25(39-28-19)11-21(22(26)32)29(12-25)24(34)18-8-17(30(35)36)9-20(14(18)3)31(37)38/h4-9,21H,1,10-12H2,2-3H3,(H2,26,32)(H,27,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>1.00E+5	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 (SBIMR, San Diego, C...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2SB447H
					More data for this Ligand-Target Pair
probable DNA dC->dU-editing enzyme APOBEC-3A (Homo sapiens (Human))	BDBM50603 ((8S)-3-(3-methacrylamidophenyl)-7-(2-methyl-3,5-di...) Show SMILES CC(=C)C(=O)Nc1cccc(c1)[C+]1CC2(CC(N(C2)C(=O)c2cc(cc(c2C)[N+]([O-])=O)[N+]([O-])=O)C(N)=O)O[N-]1 Show InChI InChI=1S/C25H24N6O8/c1-13(2)23(33)27-16-6-4-5-15(7-16)19-10-25(39-28-19)11-21(22(26)32)29(12-25)24(34)18-8-17(30(35)36)9-20(14(18)3)31(37)38/h4-9,21H,1,10-12H2,2-3H3,(H2,26,32)(H,27,33)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	25
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 (2011) BindingDB Entry DOI: 10.7270/Q2CZ35ND
					More data for this Ligand-Target Pair