BDBM50715 (8R)-3-[3-[(2-methyl-1-oxoprop-2-enyl)amino]phenyl]-7-[(E)-1-oxobut-2-enyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-8-carboxamide::(8R)-7-[(E)-but-2-enoyl]-3-(3-methacrylamidophenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-8-carboxamide::(8R)-7-[(E)-but-2-enoyl]-3-[3-(2-methylprop-2-enoylamino)phenyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-8-carboxamide::MLS000561975::SMR000390639::cid_16745482

SMILES: C\C=C\C(=O)N1CC2(C[C@@H]1C(N)=O)CC(=NO2)c1cccc(NC(=O)C(C)=C)c1

InChI Key: InChIKey=CQMBETNXXRVNKZ-HFIKFMIISA-N

Data: 6 IC50  3 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 9 hits for monomerid = 50715   

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))	BDBM50715 ((8R)-3-[3-[(2-methyl-1-oxoprop-2-enyl)amino]phenyl...) Show SMILES C\C=C\C(=O)N1CC2(C[C@@H]1C(N)=O)CC(=NO2)c1cccc(NC(=O)C(C)=C)c1 |c:15| Show InChI InChI=1S/C21H24N4O4/c1-4-6-18(26)25-12-21(11-17(25)19(22)27)10-16(24-29-21)14-7-5-8-15(9-14)23-20(28)13(2)3/h4-9,17H,2,10-12H2,1,3H3,(H2,22,27)(H,23,28)/b6-4+/t17-,21?/m1/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	3.48E+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
Beta-adrenergic receptor kinase 1 (Homo sapiens (Human))	BDBM50715 ((8R)-3-[3-[(2-methyl-1-oxoprop-2-enyl)amino]phenyl...) Show SMILES C\C=C\C(=O)N1CC2(C[C@@H]1C(N)=O)CC(=NO2)c1cccc(NC(=O)C(C)=C)c1 |c:15| Show InChI InChI=1S/C21H24N4O4/c1-4-6-18(26)25-12-21(11-17(25)19(22)27)10-16(24-29-21)14-7-5-8-15(9-14)23-20(28)13(2)3/h4-9,17H,2,10-12H2,1,3H3,(H2,22,27)(H,23,28)/b6-4+/t17-,21?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	2.13E+4	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: 1 R03 DA030557-01A1 Project Title: RNA Aptamer-based screen for Selective Inhibitors of ...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2B56H72
					More data for this Ligand-Target Pair
DNA dC->dU-editing enzyme APOBEC-3G (Homo sapiens (Human))	BDBM50715 ((8R)-3-[3-[(2-methyl-1-oxoprop-2-enyl)amino]phenyl...) Show SMILES C\C=C\C(=O)N1CC2(C[C@@H]1C(N)=O)CC(=NO2)c1cccc(NC(=O)C(C)=C)c1 |c:15| Show InChI InChI=1S/C21H24N4O4/c1-4-6-18(26)25-12-21(11-17(25)19(22)27)10-16(24-29-21)14-7-5-8-15(9-14)23-20(28)13(2)3/h4-9,17H,2,10-12H2,1,3H3,(H2,22,27)(H,23,28)/b6-4+/t17-,21?/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	6.14E+3	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
probable DNA dC->dU-editing enzyme APOBEC-3A (Homo sapiens (Human))	BDBM50715 ((8R)-3-[3-[(2-methyl-1-oxoprop-2-enyl)amino]phenyl...) Show SMILES C\C=C\C(=O)N1CC2(C[C@@H]1C(N)=O)CC(=NO2)c1cccc(NC(=O)C(C)=C)c1 |c:15| Show InChI InChI=1S/C21H24N4O4/c1-4-6-18(26)25-12-21(11-17(25)19(22)27)10-16(24-29-21)14-7-5-8-15(9-14)23-20(28)13(2)3/h4-9,17H,2,10-12H2,1,3H3,(H2,22,27)(H,23,28)/b6-4+/t17-,21?/m1/s1	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
lens epithelium-derived growth factor p75 (Homo sapiens (Human))	BDBM50715 ((8R)-3-[3-[(2-methyl-1-oxoprop-2-enyl)amino]phenyl...) Show SMILES C\C=C\C(=O)N1CC2(C[C@@H]1C(N)=O)CC(=NO2)c1cccc(NC(=O)C(C)=C)c1 |c:15| Show InChI InChI=1S/C21H24N4O4/c1-4-6-18(26)25-12-21(11-17(25)19(22)27)10-16(24-29-21)14-7-5-8-15(9-14)23-20(28)13(2)3/h4-9,17H,2,10-12H2,1,3H3,(H2,22,27)(H,23,28)/b6-4+/t17-,21?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	4.72E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: Ohio State University Assay Provider: Mam...				PubChem Bioassay (2014) BindingDB Entry DOI: 10.7270/Q2KD1WKS
					More data for this Ligand-Target Pair
Apoptotic peptidase activating factor 1 (Homo sapiens (Human))	BDBM50715 ((8R)-3-[3-[(2-methyl-1-oxoprop-2-enyl)amino]phenyl...) Show SMILES C\C=C\C(=O)N1CC2(C[C@@H]1C(N)=O)CC(=NO2)c1cccc(NC(=O)C(C)=C)c1 |c:15| Show InChI InChI=1S/C21H24N4O4/c1-4-6-18(26)25-12-21(11-17(25)19(22)27)10-16(24-29-21)14-7-5-8-15(9-14)23-20(28)13(2)3/h4-9,17H,2,10-12H2,1,3H3,(H2,22,27)(H,23,28)/b6-4+/t17-,21?/m1/s1	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
Apoptotic peptidase activating factor 1 (Homo sapiens (Human))	BDBM50715 ((8R)-3-[3-[(2-methyl-1-oxoprop-2-enyl)amino]phenyl...) Show SMILES C\C=C\C(=O)N1CC2(C[C@@H]1C(N)=O)CC(=NO2)c1cccc(NC(=O)C(C)=C)c1 |c:15| Show InChI InChI=1S/C21H24N4O4/c1-4-6-18(26)25-12-21(11-17(25)19(22)27)10-16(24-29-21)14-7-5-8-15(9-14)23-20(28)13(2)3/h4-9,17H,2,10-12H2,1,3H3,(H2,22,27)(H,23,28)/b6-4+/t17-,21?/m1/s1	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	2.71E+3	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
lens epithelium-derived growth factor p75 (Homo sapiens (Human))	BDBM50715 ((8R)-3-[3-[(2-methyl-1-oxoprop-2-enyl)amino]phenyl...) Show SMILES C\C=C\C(=O)N1CC2(C[C@@H]1C(N)=O)CC(=NO2)c1cccc(NC(=O)C(C)=C)c1 |c:15| Show InChI InChI=1S/C21H24N4O4/c1-4-6-18(26)25-12-21(11-17(25)19(22)27)10-16(24-29-21)14-7-5-8-15(9-14)23-20(28)13(2)3/h4-9,17H,2,10-12H2,1,3H3,(H2,22,27)(H,23,28)/b6-4+/t17-,21?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	5.97E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: Ohio State University Assay Provider: Mam...				PubChem Bioassay (2014) BindingDB Entry DOI: 10.7270/Q2Q52N9H
					More data for this Ligand-Target Pair
carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1 isoform 1 (Homo sapiens (Human))	BDBM50715 ((8R)-3-[3-[(2-methyl-1-oxoprop-2-enyl)amino]phenyl...) Show SMILES C\C=C\C(=O)N1CC2(C[C@@H]1C(N)=O)CC(=NO2)c1cccc(NC(=O)C(C)=C)c1 |c:15| Show InChI InChI=1S/C21H24N4O4/c1-4-6-18(26)25-12-21(11-17(25)19(22)27)10-16(24-29-21)14-7-5-8-15(9-14)23-20(28)13(2)3/h4-9,17H,2,10-12H2,1,3H3,(H2,22,27)(H,23,28)/b6-4+/t17-,21?/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.61E+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