BDBM24065 1-[(5S)-3-(2,5-difluorophenyl)-5-(3-hydroxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one::3,5-diaryl-4,5-dihydropyrazole, 1::CHEMBL195232

SMILES: CC(=O)N1N=C(C[C@H]1c1cccc(O)c1)c1cc(F)ccc1F

InChI Key: InChIKey=YLSHULIHKQRKEM-KRWDZBQOSA-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 = 24065   

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
A disintegrin and metalloproteinase with thrombospondin motifs 5 (ADAMTS-5) (Homo sapiens (Human))	BDBM24065 (1-[(5S)-3-(2,5-difluorophenyl)-5-(3-hydroxyphenyl)...) Show SMILES CC(=O)N1N=C(C[C@H]1c1cccc(O)c1)c1cc(F)ccc1F |r,c:4| Show InChI InChI=1S/C17H14F2N2O2/c1-10(22)21-17(11-3-2-4-13(23)7-11)9-16(20-21)14-8-12(18)5-6-15(14)19/h2-8,17,23H,9H2,1H3/t17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	24.7	n/a	n/a	n/a	n/a	7.0	23
Merck Research Laboratories					Assay Description The kinesin motor domain is incubated with microtubules, 1 mM ATP (1: 1 MgCl2 : Na-ATP), and compound at 23°C in buffer. After reaction was term...				Bioorg Med Chem Lett 16: 3175-9 (2006) Article DOI: 10.1016/j.bmcl.2006.03.040 BindingDB Entry DOI: 10.7270/Q2445JTH
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM24065 (1-[(5S)-3-(2,5-difluorophenyl)-5-(3-hydroxyphenyl)...) Show SMILES CC(=O)N1N=C(C[C@H]1c1cccc(O)c1)c1cc(F)ccc1F |r,c:4| Show InChI InChI=1S/C17H14F2N2O2/c1-10(22)21-17(11-3-2-4-13(23)7-11)9-16(20-21)14-8-12(18)5-6-15(14)19/h2-8,17,23H,9H2,1H3/t17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration towards caspase-3 induction in human A2780 ovarian carcinoma cells				Bioorg Med Chem Lett 15: 2041-5 (2005) Article DOI: 10.1016/j.bmcl.2005.02.055 BindingDB Entry DOI: 10.7270/Q2ST7PCW
					More data for this Ligand-Target Pair
Kinesin-like protein 1 (Homo sapiens (Human))	BDBM24065 (1-[(5S)-3-(2,5-difluorophenyl)-5-(3-hydroxyphenyl)...) Show SMILES CC(=O)N1N=C(C[C@H]1c1cccc(O)c1)c1cc(F)ccc1F |r,c:4| Show InChI InChI=1S/C17H14F2N2O2/c1-10(22)21-17(11-3-2-4-13(23)7-11)9-16(20-21)14-8-12(18)5-6-15(14)19/h2-8,17,23H,9H2,1H3/t17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory concentration towards kinesin spindle protein activity of ATP hydrolysis in the presence of microtubules measured by ATPase assay...				Bioorg Med Chem Lett 15: 2041-5 (2005) Article DOI: 10.1016/j.bmcl.2005.02.055 BindingDB Entry DOI: 10.7270/Q2ST7PCW
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM24065 (1-[(5S)-3-(2,5-difluorophenyl)-5-(3-hydroxyphenyl)...) Show SMILES CC(=O)N1N=C(C[C@H]1c1cccc(O)c1)c1cc(F)ccc1F |r,c:4| Show InChI InChI=1S/C17H14F2N2O2/c1-10(22)21-17(11-3-2-4-13(23)7-11)9-16(20-21)14-8-12(18)5-6-15(14)19/h2-8,17,23H,9H2,1H3/t17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	26.4	n/a	n/a	n/a	n/a	7.4	22
Merck Research Laboratories					Assay Description The hERG IC50 values were determined by radioligand competition experiments using membrane preparations from human embryonic kidney cells that stably...				Bioorg Med Chem Lett 16: 3175-9 (2006) Article DOI: 10.1016/j.bmcl.2006.03.040 BindingDB Entry DOI: 10.7270/Q2445JTH
					More data for this Ligand-Target Pair