BDBM24066 1-[(5S)-3-(2-chlorophenyl)-5-(3-hydroxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one::3,5-diaryl-4,5-dihydropyrazole, 2::CHEMBL364452

SMILES: CC(=O)N1N=C(CC1c1cccc(O)c1)c1ccccc1Cl

InChI Key: InChIKey=QBZAPFWYAPXRGQ-UHFFFAOYSA-N

Data: 3 IC50

PDB links: 1 PDB ID matches 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 = 24066   

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))	BDBM24066 (1-[(5S)-3-(2-chlorophenyl)-5-(3-hydroxyphenyl)-4,5...) Show SMILES CC(=O)N1N=C(CC1c1cccc(O)c1)c1ccccc1Cl |c:4| Show InChI InChI=1S/C17H15ClN2O2/c1-11(21)20-17(12-5-4-6-13(22)9-12)10-16(19-20)14-7-2-3-8-15(14)18/h2-9,17,22H,10H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	450	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
Kinesin-like protein 1 (Homo sapiens (Human))	BDBM24066 (1-[(5S)-3-(2-chlorophenyl)-5-(3-hydroxyphenyl)-4,5...) Show SMILES CC(=O)N1N=C(CC1c1cccc(O)c1)c1ccccc1Cl |c:4| Show InChI InChI=1S/C17H15ClN2O2/c1-11(21)20-17(12-5-4-6-13(22)9-12)10-16(19-20)14-7-2-3-8-15(14)18/h2-9,17,22H,10H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	450	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of KSP				Bioorg Med Chem Lett 17: 722-6 (2007) Article DOI: 10.1016/j.bmcl.2006.10.083 BindingDB Entry DOI: 10.7270/Q2HT2Q4S
					More data for this Ligand-Target Pair				3D Structure (crystal)
Kinesin-like protein 1 (Homo sapiens (Human))	BDBM24066 (1-[(5S)-3-(2-chlorophenyl)-5-(3-hydroxyphenyl)-4,5...) Show SMILES CC(=O)N1N=C(CC1c1cccc(O)c1)c1ccccc1Cl |c:4| Show InChI InChI=1S/C17H15ClN2O2/c1-11(21)20-17(12-5-4-6-13(22)9-12)10-16(19-20)14-7-2-3-8-15(14)18/h2-9,17,22H,10H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	450	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				3D Structure (crystal)