BDBM50076649 CHEMBL369848::N-{1-methyl-3-[1-(4-methoxyphenyl)-5-(4-chlorophenyl)-1H-pyrazol-3-yl]prop-2-ynyl}-N-hydroxyurea

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

InChI Key: InChIKey=REPFJMCRPKRDTP-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 = 50076649   

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
Prostaglandin G/H synthase (cyclooxygenase) (Ovis aries (Sheep))	BDBM50076649 (CHEMBL369848 | N-{1-methyl-3-[1-(4-methoxyphenyl)-...) Show SMILES COc1ccc(cc1)-n1nc(cc1-c1ccc(Cl)cc1)C#CC(C)N(O)C(N)=O Show InChI InChI=1S/C21H19ClN4O3/c1-14(26(28)21(23)27)3-8-17-13-20(15-4-6-16(22)7-5-15)25(24-17)18-9-11-19(29-2)12-10-18/h4-7,9-14,28H,1-2H3,(H2,23,27)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.20E+4	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 using sheep seminal vesicle (SSV) enzyme (COX-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)	BDBM50076649 (CHEMBL369848 | N-{1-methyl-3-[1-(4-methoxyphenyl)-...) Show SMILES COc1ccc(cc1)-n1nc(cc1-c1ccc(Cl)cc1)C#CC(C)N(O)C(N)=O Show InChI InChI=1S/C21H19ClN4O3/c1-14(26(28)21(23)27)3-8-17-13-20(15-4-6-16(22)7-5-15)25(24-17)18-9-11-19(29-2)12-10-18/h4-7,9-14,28H,1-2H3,(H2,23,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.50E+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
Cyclooxygenase (RAT)	BDBM50076649 (CHEMBL369848 | N-{1-methyl-3-[1-(4-methoxyphenyl)-...) Show SMILES COc1ccc(cc1)-n1nc(cc1-c1ccc(Cl)cc1)C#CC(C)N(O)C(N)=O Show InChI InChI=1S/C21H19ClN4O3/c1-14(26(28)21(23)27)3-8-17-13-20(15-4-6-16(22)7-5-15)25(24-17)18-9-11-19(29-2)12-10-18/h4-7,9-14,28H,1-2H3,(H2,23,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.20E+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 cyclooxygenase (COX) 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
Arachidonate 5-lipoxygenase (Rattus norvegicus)	BDBM50076649 (CHEMBL369848 | N-{1-methyl-3-[1-(4-methoxyphenyl)-...) Show SMILES COc1ccc(cc1)-n1nc(cc1-c1ccc(Cl)cc1)C#CC(C)N(O)C(N)=O Show InChI InChI=1S/C21H19ClN4O3/c1-14(26(28)21(23)27)3-8-17-13-20(15-4-6-16(22)7-5-15)25(24-17)18-9-11-19(29-2)12-10-18/h4-7,9-14,28H,1-2H3,(H2,23,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	10	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