BDBM24679 (6Z)-6-(3-pyrazolin-3-ylidene)cyclohexa-2,4-dien-1-one::2-(1H-pyrazol-3-yl)phenol::pyrazole, 32

SMILES: Oc1ccccc1-c1cc[nH]n1

InChI Key: InChIKey=LKTJPAUDNOBJAZ-UHFFFAOYSA-N

Data: 3 IC50

PDB links: 15 PDB IDs contain this monomer as substructures. 15 PDB IDs contain inhibitors having a similarity of 90% to this monomer.

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 3 hits for monomerid = 24679   

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
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM24679 ((6Z)-6-(3-pyrazolin-3-ylidene)cyclohexa-2,4-dien-1...) Show SMILES Oc1ccccc1-c1cc[nH]n1 Show InChI InChI=1S/C9H8N2O/c12-9-4-2-1-3-7(9)8-5-6-10-11-8/h1-6,12H,(H,10,11)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.50E+4	n/a	n/a	n/a	n/a	6.5	37
Bryn Mawr College					Assay Description The IC50 inhibition assays were performed in a 96-well microtiter plate format using purified recombinant IDO, which was added to the substrate, L-tr...				J Med Chem 51: 4968-77 (2008) Article DOI: 10.1021/jm800512z BindingDB Entry DOI: 10.7270/Q2154FB1
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15 (Homo sapiens (Human))	BDBM24679 ((6Z)-6-(3-pyrazolin-3-ylidene)cyclohexa-2,4-dien-1...) Show SMILES Oc1ccccc1-c1cc[nH]n1 Show InChI InChI=1S/C9H8N2O/c12-9-4-2-1-3-7(9)8-5-6-10-11-8/h1-6,12H,(H,10,11)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged human 12/15-LOX using arachidonic acid as substrate by UV-visible spectrophotometric analysis				Bioorg Med Chem 24: 1183-90 (2016) BindingDB Entry DOI: 10.7270/Q2QJ7K44
					More data for this Ligand-Target Pair
Neuropilin-1 (Homo sapiens (Human))	BDBM24679 ((6Z)-6-(3-pyrazolin-3-ylidene)cyclohexa-2,4-dien-1...) Show SMILES Oc1ccccc1-c1cc[nH]n1 Show InChI InChI=1S/C9H8N2O/c12-9-4-2-1-3-7(9)8-5-6-10-11-8/h1-6,12H,(H,10,11)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>9.50E+4	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/Q2HM5725
					More data for this Ligand-Target Pair