Affinity Data by PDB ID

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PDB code 4D58

Identical Ligands in BindingDB

Found 6 hits Enzyme Inhibition Constant Data
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Focal adhesion kinase 1 (271/276 = 98%)^† (Homo sapiens (Human))	BDBM50334594 (2-(5-chloro-2-(2-methoxy-4-morpholinophenylamino)p...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of FAK (unknown origin)				Citation and Details Article DOI: 10.1007/s00044-013-0768-0 BindingDB Entry DOI: 10.7270/Q2XW4M8H
TBA					More data for this Ligand-Target Pair				3D Structure (crystal)
Focal adhesion kinase 1 (271/276 = 98%)^† (Homo sapiens (Human))	BDBM50334594 (2-(5-chloro-2-(2-methoxy-4-morpholinophenylamino)p...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
University of Paris Curated by ChEMBL					Assay Description Inhibition of FAK (unknown origin) using ULight-poly GT as substrate after 1.6 hrs by TR-FRET assay				J Med Chem 58: 237-51 (2015) Article DOI: 10.1021/jm500784e BindingDB Entry DOI: 10.7270/Q2B27WZC
University of Paris Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Focal adhesion kinase 1 (271/276 = 98%)^† (Homo sapiens (Human))	BDBM50334594 (2-(5-chloro-2-(2-methoxy-4-morpholinophenylamino)p...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	6.80	n/a	n/a	n/a	n/a	n/a	n/a
Dalian Medical University Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His-tagged FAK cytoplasmic domain (393 to 698 residues) expressed in baculovirus infected sf9 cells assess...				Bioorg Med Chem 25: 6313-6321 (2017) Article DOI: 10.1016/j.bmc.2017.09.041 BindingDB Entry DOI: 10.7270/Q2F19298
Dalian Medical University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Focal adhesion kinase 1 (271/276 = 98%)^† (Homo sapiens (Human))	BDBM50334594 (2-(5-chloro-2-(2-methoxy-4-morpholinophenylamino)p...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
University of Paris Curated by ChEMBL					Assay Description Inhibition of FAK (unknown origin) using Ulight-poly(Glu:Tyr)(4:1) as substrate after 1.6 hrs by TR-FRET assay				Bioorg Med Chem Lett 27: 1727-1730 (2017) Article DOI: 10.1016/j.bmcl.2017.02.072 BindingDB Entry DOI: 10.7270/Q2ZC855F
University of Paris Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Focal adhesion kinase 1 (271/276 = 98%)^† (Homo sapiens (Human))	BDBM50334594 (2-(5-chloro-2-(2-methoxy-4-morpholinophenylamino)p...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	6.80	n/a	n/a	n/a	n/a	n/a	n/a
Dalian Medical University Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His-tagged FAK (393 to 698 residues) expressed in baculovirus infected Sf9 insect cells using Poly (4:1 Gl...				Bioorg Med Chem 25: 3989-3996 (2017) Article DOI: 10.1016/j.bmc.2017.05.044 BindingDB Entry DOI: 10.7270/Q2PN984W
Dalian Medical University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Focal adhesion kinase 1 (271/276 = 98%)^† (Homo sapiens (Human))	BDBM50334594 (2-(5-chloro-2-(2-methoxy-4-morpholinophenylamino)p...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
University of Paris Curated by ChEMBL					Assay Description Inhibition of pre-activated recombinant full length FAK (unknown origin) using ULight labeled poly(Glu/Tyr) as substrate after 1.6 hrs by TR-FRET ass...				Bioorg Med Chem Lett 23: 4552-6 (2013) Article DOI: 10.1016/j.bmcl.2013.06.038 BindingDB Entry DOI: 10.7270/Q2GM88RC
University of Paris Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)

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_* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
† Identities from BLAST output