BDBM42142 MLS000081362::SMR000045431::cid_664517

SMILES: [H][C@]12[C@H](N3C=Cc4ccccc4C3[C@@]1([H])C(=O)N(C2=O)c1ccc(C)cc1)C(=O)c1ccco1

InChI Key: InChIKey=NKBSAVIPKRSEKM-KORDQABASA-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 = 42142   

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
YopH (Yersinia enterocolitica)	BDBM42142 (MLS000081362 | SMR000045431 | cid_664517) Show SMILES [H][C@]12[C@H](N3C=Cc4ccccc4C3[C@@]1([H])C(=O)N(C2=O)c1ccc(C)cc1)C(=O)c1ccco1 |c:4| Show InChI InChI=1S/C26H20N2O4/c1-15-8-10-17(11-9-15)28-25(30)20-21(26(28)31)23(24(29)19-7-4-14-32-19)27-13-12-16-5-2-3-6-18(16)22(20)27/h2-14,20-23H,1H3/t20-,21+,22?,23-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Molecular Library Screening Center Curated by PubChem BioAssay					Assay Description Yersinia pestis is the causal agent of the bubonic plague and, although modern antibiotics are extremely effective against the malady, the plague rem...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2794330
					More data for this Ligand-Target Pair
YopH (Yersinia enterocolitica)	BDBM42142 (MLS000081362 | SMR000045431 | cid_664517) Show SMILES [H][C@]12[C@H](N3C=Cc4ccccc4C3[C@@]1([H])C(=O)N(C2=O)c1ccc(C)cc1)C(=O)c1ccco1 |c:4| Show InChI InChI=1S/C26H20N2O4/c1-15-8-10-17(11-9-15)28-25(30)20-21(26(28)31)23(24(29)19-7-4-14-32-19)27-13-12-16-5-2-3-6-18(16)22(20)27/h2-14,20-23H,1H3/t20-,21+,22?,23-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Molecular Library Screening Center Curated by PubChem BioAssay					Assay Description Yersinia pestis is the causal agent of the bubonic plague and, although modern antibiotics are extremely effective against the malady, the plague rem...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2GT5KKS
					More data for this Ligand-Target Pair
YopH (Yersinia enterocolitica)	BDBM42142 (MLS000081362 | SMR000045431 | cid_664517) Show SMILES [H][C@]12[C@H](N3C=Cc4ccccc4C3[C@@]1([H])C(=O)N(C2=O)c1ccc(C)cc1)C(=O)c1ccco1 |c:4| Show InChI InChI=1S/C26H20N2O4/c1-15-8-10-17(11-9-15)28-25(30)20-21(26(28)31)23(24(29)19-7-4-14-32-19)27-13-12-16-5-2-3-6-18(16)22(20)27/h2-14,20-23H,1H3/t20-,21+,22?,23-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Molecular Library Screening Center Curated by PubChem BioAssay					Assay Description Yersinia pestis is the causal agent of the bubonic plague and, although modern antibiotics are extremely effective against the malady, the plague rem...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2C24TVC
					More data for this Ligand-Target Pair
SUMO/sentrin specific peptidase family member 8 (Homo sapiens (Human))	BDBM42142 (MLS000081362 | SMR000045431 | cid_664517) Show SMILES [H][C@]12[C@H](N3C=Cc4ccccc4C3[C@@]1([H])C(=O)N(C2=O)c1ccc(C)cc1)C(=O)c1ccco1 |c:4| Show InChI InChI=1S/C26H20N2O4/c1-15-8-10-17(11-9-15)28-25(30)20-21(26(28)31)23(24(29)19-7-4-14-32-19)27-13-12-16-5-2-3-6-18(16)22(20)27/h2-14,20-23H,1H3/t20-,21+,22?,23-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	785	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay									PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2JM2870
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM42142 (MLS000081362 | SMR000045431 | cid_664517) Show SMILES [H][C@]12[C@H](N3C=Cc4ccccc4C3[C@@]1([H])C(=O)N(C2=O)c1ccc(C)cc1)C(=O)c1ccco1 |c:4| Show InChI InChI=1S/C26H20N2O4/c1-15-8-10-17(11-9-15)28-25(30)20-21(26(28)31)23(24(29)19-7-4-14-32-19)27-13-12-16-5-2-3-6-18(16)22(20)27/h2-14,20-23H,1H3/t20-,21+,22?,23-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	4.41E+3	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay									PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2930RSV
					More data for this Ligand-Target Pair
SUMO/sentrin specific peptidase family member 8 (Homo sapiens (Human))	BDBM42142 (MLS000081362 | SMR000045431 | cid_664517) Show SMILES [H][C@]12[C@H](N3C=Cc4ccccc4C3[C@@]1([H])C(=O)N(C2=O)c1ccc(C)cc1)C(=O)c1ccco1 |c:4| Show InChI InChI=1S/C26H20N2O4/c1-15-8-10-17(11-9-15)28-25(30)20-21(26(28)31)23(24(29)19-7-4-14-32-19)27-13-12-16-5-2-3-6-18(16)22(20)27/h2-14,20-23H,1H3/t20-,21+,22?,23-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	785	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay									PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2P849HJ
					More data for this Ligand-Target Pair
BZLF2 (Human herpesvirus 4 type 2)	BDBM42142 (MLS000081362 | SMR000045431 | cid_664517) Show SMILES [H][C@]12[C@H](N3C=Cc4ccccc4C3[C@@]1([H])C(=O)N(C2=O)c1ccc(C)cc1)C(=O)c1ccco1 |c:4| Show InChI InChI=1S/C26H20N2O4/c1-15-8-10-17(11-9-15)28-25(30)20-21(26(28)31)23(24(29)19-7-4-14-32-19)27-13-12-16-5-2-3-6-18(16)22(20)27/h2-14,20-23H,1H3/t20-,21+,22?,23-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	4.79E+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: Theodore Jardetzky; Northw...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2057DCW
					More data for this Ligand-Target Pair