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

null

SMILES: OC(=O)C[C@H](Cc1nc(CCCCNc2cc(ccn2)N2CCSCC2)no1)c1ccc2OCOc2c1

InChI Key: InChIKey=GTSHXMCHGDUGRQ-IBGZPJMESA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50177621
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
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50177621 ((S)-3-(benzo[d][1,3]dioxol-5-yl)-4-(3-(4-(4-thiomo...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.620	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of Integrin alphav-beta3 receptor expressed in HEK293 cells				Bioorg Med Chem Lett 16: 839-44 (2006) Article DOI: 10.1016/j.bmcl.2005.11.008 BindingDB Entry DOI: 10.7270/Q28K78NF
Pfizer Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Integrin alpha-V/beta-5 (Homo sapiens (Human))	BDBM50177621 ((S)-3-(benzo[d][1,3]dioxol-5-yl)-4-(3-(4-(4-thiomo...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of Integrin alphav-beta5 receptor expressed in HEK293 cell line				Bioorg Med Chem Lett 16: 839-44 (2006) Article DOI: 10.1016/j.bmcl.2005.11.008 BindingDB Entry DOI: 10.7270/Q28K78NF
Pfizer Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Integrin alpha-V/beta-6 (Homo sapiens (Human))	BDBM50177621 ((S)-3-(benzo[d][1,3]dioxol-5-yl)-4-(3-(4-(4-thiomo...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.67E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of Integrin alphav-beta6 receptor expressed in HT29 cell line				Bioorg Med Chem Lett 16: 839-44 (2006) Article DOI: 10.1016/j.bmcl.2005.11.008 BindingDB Entry DOI: 10.7270/Q28K78NF
Pfizer Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50177621 ((S)-3-(benzo[d][1,3]dioxol-5-yl)-4-(3-(4-(4-thiomo...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.260	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of Integrin alphav-beta3 receptor by SPRA assay				Bioorg Med Chem Lett 16: 839-44 (2006) Article DOI: 10.1016/j.bmcl.2005.11.008 BindingDB Entry DOI: 10.7270/Q28K78NF
Pfizer Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50177621 ((S)-3-(benzo[d][1,3]dioxol-5-yl)-4-(3-(4-(4-thiomo...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of Integrin alpha2bbeta3 receptor by SPRA assay				Bioorg Med Chem Lett 16: 839-44 (2006) Article DOI: 10.1016/j.bmcl.2005.11.008 BindingDB Entry DOI: 10.7270/Q28K78NF
Pfizer Inc. Curated by ChEMBL					More data for this Ligand-Target Pair