BDBM50974 1-(1-adamantyl)-3-[[(E)-(3-chloranyl-5-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]amino]urea::1-(1-adamantyl)-3-[[(E)-(3-chloro-5-nitro-6-oxo-1-cyclohexa-2,4-dienylidene)methyl]amino]urea::1-(1-adamantyl)-3-[[(E)-(3-chloro-5-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]urea::1-(1-adamantyl)-3-[[(E)-(3-chloro-6-keto-5-nitro-cyclohexa-2,4-dien-1-ylidene)methyl]amino]urea::5-chloro-2-hydroxy-3-nitrobenzaldehyde N-1-adamantylsemicarbazone::MLS000571915::SMR000193933::cid_5903423

SMILES: [H]C12CC3([H])CC([H])(C1)CC(C2)(C3)NC(=O)N[NH+]=C[c-]1cc(Cl)cc([N+]([O-])=O)c1=O

InChI Key: InChIKey=JZLQNWIKHMQHJN-UHFFFAOYSA-O

Data: 2 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 4 hits for monomerid = 50974   

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
BZLF2 (Human herpesvirus 4 type 2)	BDBM50974 (1-(1-adamantyl)-3-[[(E)-(3-chloranyl-5-nitro-6-oxi...) Show SMILES [H]C12CC3([H])CC([H])(C1)CC(C2)(C3)NC(=O)N[NH+]=C[c-]1cc(Cl)cc([N+]([O-])=O)c1=O |w:17.19,TLB:8:1:12:6.9.5,8:6:12:1.11.2,THB:5:6:11:3.12.2| Show InChI InChI=1S/C18H20ClN4O4/c19-14-4-13(16(24)15(5-14)23(26)27)9-20-22-17(25)21-18-6-10-1-11(7-18)3-12(2-10)8-18/h4-5,9-12H,1-3,6-8H2,(H2,21,22,25)/q-1/p+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	PCBioAssay	n/a	n/a	5.40E+4	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
Caspase-9 (Homo sapiens (Human))	BDBM50974 (1-(1-adamantyl)-3-[[(E)-(3-chloranyl-5-nitro-6-oxi...) Show SMILES [H]C12CC3([H])CC([H])(C1)CC(C2)(C3)NC(=O)N[NH+]=C[c-]1cc(Cl)cc([N+]([O-])=O)c1=O |w:17.19,TLB:8:1:12:6.9.5,8:6:12:1.11.2,THB:5:6:11:3.12.2| Show InChI InChI=1S/C18H20ClN4O4/c19-14-4-13(16(24)15(5-14)23(26)27)9-20-22-17(25)21-18-6-10-1-11(7-18)3-12(2-10)8-18/h4-5,9-12H,1-3,6-8H2,(H2,21,22,25)/q-1/p+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PCBioAssay	n/a	n/a	9.15E+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 (SBIMR, San Diego, C...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q25M647F
					More data for this Ligand-Target Pair
Apoptotic peptidase activating factor 1 (Homo sapiens (Human))	BDBM50974 (1-(1-adamantyl)-3-[[(E)-(3-chloranyl-5-nitro-6-oxi...) Show SMILES [H]C12CC3([H])CC([H])(C1)CC(C2)(C3)NC(=O)N[NH+]=C[c-]1cc(Cl)cc([N+]([O-])=O)c1=O |w:17.19,TLB:8:1:12:6.9.5,8:6:12:1.11.2,THB:5:6:11:3.12.2| Show InChI InChI=1S/C18H20ClN4O4/c19-14-4-13(16(24)15(5-14)23(26)27)9-20-22-17(25)21-18-6-10-1-11(7-18)3-12(2-10)8-18/h4-5,9-12H,1-3,6-8H2,(H2,21,22,25)/q-1/p+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	6.87E+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
Apoptotic peptidase activating factor 1 (Homo sapiens (Human))	BDBM50974 (1-(1-adamantyl)-3-[[(E)-(3-chloranyl-5-nitro-6-oxi...) Show SMILES [H]C12CC3([H])CC([H])(C1)CC(C2)(C3)NC(=O)N[NH+]=C[c-]1cc(Cl)cc([N+]([O-])=O)c1=O |w:17.19,TLB:8:1:12:6.9.5,8:6:12:1.11.2,THB:5:6:11:3.12.2| Show InChI InChI=1S/C18H20ClN4O4/c19-14-4-13(16(24)15(5-14)23(26)27)9-20-22-17(25)21-18-6-10-1-11(7-18)3-12(2-10)8-18/h4-5,9-12H,1-3,6-8H2,(H2,21,22,25)/q-1/p+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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