BDBM50076653 CHEMBL366595::N-{1-isopropyl-3-[1-(4-methoxyphenyl)-5-(4-methylphenyl)-1H-pyrazol-3-yl]prop-2-ynyl}-N-hydroxyurea

SMILES: COc1ccc(cc1)-n1nc(cc1-c1ccc(C)cc1)C#CC(C(C)C)N(O)C(N)=O

InChI Key: InChIKey=JLMBKHWPBHBNOK-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50076653   

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
Arachidonate 5-lipoxygenase (Rattus norvegicus)	BDBM50076653 (CHEMBL366595 | N-{1-isopropyl-3-[1-(4-methoxypheny...) Show SMILES COc1ccc(cc1)-n1nc(cc1-c1ccc(C)cc1)C#CC(C(C)C)N(O)C(N)=O Show InChI InChI=1S/C24H26N4O3/c1-16(2)22(28(30)24(25)29)14-9-19-15-23(18-7-5-17(3)6-8-18)27(26-19)20-10-12-21(31-4)13-11-20/h5-8,10-13,15-16,22,30H,1-4H3,(H2,25,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
The R.W. Johnson Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory activity against 5-lipoxygenase(5-LO) using broken rat barophilic leukemia cells (RBL-1)				Bioorg Med Chem Lett 9: 979-84 (1999) BindingDB Entry DOI: 10.7270/Q2Z31XV3
					More data for this Ligand-Target Pair
Cyclooxygenase (RAT)	BDBM50076653 (CHEMBL366595 | N-{1-isopropyl-3-[1-(4-methoxypheny...) Show SMILES COc1ccc(cc1)-n1nc(cc1-c1ccc(C)cc1)C#CC(C(C)C)N(O)C(N)=O Show InChI InChI=1S/C24H26N4O3/c1-16(2)22(28(30)24(25)29)14-9-19-15-23(18-7-5-17(3)6-8-18)27(26-19)20-10-12-21(31-4)13-11-20/h5-8,10-13,15-16,22,30H,1-4H3,(H2,25,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
The R.W. Johnson Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory activity against Cyclooxygenase (COX) using broken rat barophilic leukemia cells (RBL-1)				Bioorg Med Chem Lett 9: 979-84 (1999) BindingDB Entry DOI: 10.7270/Q2Z31XV3
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase (Rattus norvegicus)	BDBM50076653 (CHEMBL366595 | N-{1-isopropyl-3-[1-(4-methoxypheny...) Show SMILES COc1ccc(cc1)-n1nc(cc1-c1ccc(C)cc1)C#CC(C(C)C)N(O)C(N)=O Show InChI InChI=1S/C24H26N4O3/c1-16(2)22(28(30)24(25)29)14-9-19-15-23(18-7-5-17(3)6-8-18)27(26-19)20-10-12-21(31-4)13-11-20/h5-8,10-13,15-16,22,30H,1-4H3,(H2,25,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
The R.W. Johnson Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory activity against 5-lipoxygenase(5-LO) using broken rat barophilic leukemia cells (RBL-1)				Bioorg Med Chem Lett 9: 979-84 (1999) BindingDB Entry DOI: 10.7270/Q2Z31XV3
					More data for this Ligand-Target Pair
Cyclooxygenase (RAT)	BDBM50076653 (CHEMBL366595 | N-{1-isopropyl-3-[1-(4-methoxypheny...) Show SMILES COc1ccc(cc1)-n1nc(cc1-c1ccc(C)cc1)C#CC(C(C)C)N(O)C(N)=O Show InChI InChI=1S/C24H26N4O3/c1-16(2)22(28(30)24(25)29)14-9-19-15-23(18-7-5-17(3)6-8-18)27(26-19)20-10-12-21(31-4)13-11-20/h5-8,10-13,15-16,22,30H,1-4H3,(H2,25,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
The R.W. Johnson Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory activity against 5-lipoxygenase (5-LO) in intact rat barophilic leukemia cells (RBL-1)				Bioorg Med Chem Lett 9: 979-84 (1999) BindingDB Entry DOI: 10.7270/Q2Z31XV3
					More data for this Ligand-Target Pair