BindingDB PrimarySearch_ki

Search and Browse
- Target
- Compound
- Special tools
- Citation
- Special Data Sets
- Other Databases
  - PDB 85% 100% Seq ID
  - UniProtKB/Swiss-Prot
  - UniProtKB/TrEMBL
  - PubMed
Download
- All Compounds & Data
- Target Names &
  - Ki IC50 Kd EC50
  - ΔG° ΔH° -TΔS°
Enter Data

BDBM50205475 (R,Z)-2-(1-hydroxy-3-phenylpropan-2-ylamino)-5-(quinolin-6-ylmethylene)thiazol-4(5H)-one::CHEMBL393157

SMILES: OC[C@@H](Cc1ccccc1)NC1=NC(=O)C(S1)=Cc1ccc2ncccc2c1

InChI Key: InChIKey=KKCUZFMLJMQYMJ-GOSISDBHSA-N

Data: 5 IC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50205475
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50205475 ((R,Z)-2-(1-hydroxy-3-phenylpropan-2-ylamino)-5-(qu...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.03E+3	n/a	n/a	n/a	n/a	n/a	n/a
Roche Research Center Curated by ChEMBL					Assay Description Antiproliferative activity against human MDA435 cells				Bioorg Med Chem Lett 17: 2134-8 (2007) Article DOI: 10.1016/j.bmcl.2007.01.081 BindingDB Entry DOI: 10.7270/Q2BV7G9T
Roche Research Center Curated by ChEMBL					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50205475 ((R,Z)-2-(1-hydroxy-3-phenylpropan-2-ylamino)-5-(qu...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.24E+3	n/a	n/a	n/a	n/a	n/a	n/a
Roche Research Center Curated by ChEMBL					Assay Description Antiproliferative activity against human SJSA1 cells				Bioorg Med Chem Lett 17: 2134-8 (2007) Article DOI: 10.1016/j.bmcl.2007.01.081 BindingDB Entry DOI: 10.7270/Q2BV7G9T
Roche Research Center Curated by ChEMBL					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50205475 ((R,Z)-2-(1-hydroxy-3-phenylpropan-2-ylamino)-5-(qu...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.07E+3	n/a	n/a	n/a	n/a	n/a	n/a
Roche Research Center Curated by ChEMBL					Assay Description Antiproliferative activity against human SW480 cells				Bioorg Med Chem Lett 17: 2134-8 (2007) Article DOI: 10.1016/j.bmcl.2007.01.081 BindingDB Entry DOI: 10.7270/Q2BV7G9T
Roche Research Center Curated by ChEMBL					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50205475 ((R,Z)-2-(1-hydroxy-3-phenylpropan-2-ylamino)-5-(qu...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.58E+3	n/a	n/a	n/a	n/a	n/a	n/a
Roche Research Center Curated by ChEMBL					Assay Description Antiproliferative activity against human HCT116 cells				Bioorg Med Chem Lett 17: 2134-8 (2007) Article DOI: 10.1016/j.bmcl.2007.01.081 BindingDB Entry DOI: 10.7270/Q2BV7G9T
Roche Research Center Curated by ChEMBL					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50205475 ((R,Z)-2-(1-hydroxy-3-phenylpropan-2-ylamino)-5-(qu...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.39E+3	n/a	n/a	n/a	n/a	n/a	n/a
Roche Research Center Curated by ChEMBL					Assay Description Antiproliferative activity against human RKO cells				Bioorg Med Chem Lett 17: 2134-8 (2007) Article DOI: 10.1016/j.bmcl.2007.01.081 BindingDB Entry DOI: 10.7270/Q2BV7G9T
Roche Research Center Curated by ChEMBL					More data for this Ligand-Target Pair