Compile Data Set for Download or QSAR

Found 14 hits Enz. Inhib. hit(s) with all data for entry = 50012182   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Epithelial discoidin domain-containing receptor 1 (Homo sapiens (Human))	BDBM50555129 (CHEMBL4794765) Show SMILES CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3cnc4ccnn4c3)cc2C(F)(F)F)CC1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of DDR1 (unknown origin) using fluorescein-poly GAT as substrate measured after 1 hr by LANCE ULTRA kinase assay				Citation and Details Article DOI: 10.1016/j.bmc.2020.115876 BindingDB Entry DOI: 10.7270/Q2WW7NBN
					More data for this Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1 (Homo sapiens (Human))	BDBM50555128 (CHEMBL4794437) Show SMILES CN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2cccc(Oc3ccc(cc3)-c3n[nH]c4ncnc(N)c34)c2)CC1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	44	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of DDR1 (unknown origin) using fluorescein-poly GAT as substrate measured after 1 hr by LANCE ULTRA kinase assay				Citation and Details Article DOI: 10.1016/j.bmc.2020.115876 BindingDB Entry DOI: 10.7270/Q2WW7NBN
					More data for this Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1 (Homo sapiens (Human))	BDBM50555117 (CHEMBL4744535) Show SMILES CN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(Oc3ccc(cc3)-c3n[nH]c4ncnc(N)c34)c2)CC1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	44	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of DDR1 (unknown origin) using fluorescein-poly GAT as substrate measured after 1 hr by LANCE ULTRA kinase assay				Citation and Details Article DOI: 10.1016/j.bmc.2020.115876 BindingDB Entry DOI: 10.7270/Q2WW7NBN
					More data for this Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1 (Homo sapiens (Human))	BDBM50555118 (CHEMBL4787932) Show SMILES CCN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(Oc3ccc(cc3)-c3n[nH]c4ncnc(N)c34)c2)CC1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of DDR1 (unknown origin) using fluorescein-poly GAT as substrate measured after 1 hr by LANCE ULTRA kinase assay				Citation and Details Article DOI: 10.1016/j.bmc.2020.115876 BindingDB Entry DOI: 10.7270/Q2WW7NBN
					More data for this Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1 (Homo sapiens (Human))	BDBM50555120 (CHEMBL4787667) Show SMILES CN1CCN(Cc2ccc(cc2I)C(=O)Nc2ccc(C)c(Oc3ccc(cc3)-c3n[nH]c4ncnc(N)c34)c2)CC1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	131	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of DDR1 (unknown origin) using fluorescein-poly GAT as substrate measured after 1 hr by LANCE ULTRA kinase assay				Citation and Details Article DOI: 10.1016/j.bmc.2020.115876 BindingDB Entry DOI: 10.7270/Q2WW7NBN
					More data for this Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1 (Homo sapiens (Human))	BDBM50555122 (CHEMBL4742966) Show SMILES Cc1ccc(NC(=O)c2ccc(CN3CCOCC3)c(c2)C(F)(F)F)cc1Oc1ccc(cc1)-c1n[nH]c2ncnc(N)c12 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	416	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of DDR1 (unknown origin) using fluorescein-poly GAT as substrate measured after 1 hr by LANCE ULTRA kinase assay				Citation and Details Article DOI: 10.1016/j.bmc.2020.115876 BindingDB Entry DOI: 10.7270/Q2WW7NBN
					More data for this Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1 (Homo sapiens (Human))	BDBM50555123 (CHEMBL4787522) Show SMILES Cc1ccc(NC(=O)c2ccc(CN3CCCCC3)c(c2)C(F)(F)F)cc1Oc1ccc(cc1)-c1n[nH]c2ncnc(N)c12 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	975	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of DDR1 (unknown origin) using fluorescein-poly GAT as substrate measured after 1 hr by LANCE ULTRA kinase assay				Citation and Details Article DOI: 10.1016/j.bmc.2020.115876 BindingDB Entry DOI: 10.7270/Q2WW7NBN
					More data for this Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1 (Homo sapiens (Human))	BDBM50555121 (CHEMBL4761726) Show SMILES Cc1ccc(NC(=O)c2ccc(CN3CCCC3)c(c2)C(F)(F)F)cc1Oc1ccc(cc1)-c1n[nH]c2ncnc(N)c12 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.19E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of DDR1 (unknown origin) using fluorescein-poly GAT as substrate measured after 1 hr by LANCE ULTRA kinase assay				Citation and Details Article DOI: 10.1016/j.bmc.2020.115876 BindingDB Entry DOI: 10.7270/Q2WW7NBN
					More data for this Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1 (Homo sapiens (Human))	BDBM50555119 (CHEMBL4744277) Show SMILES CN1CCN(Cc2cccc(c2)C(=O)Nc2ccc(C)c(Oc3ccc(cc3)-c3n[nH]c4ncnc(N)c34)c2)CC1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.21E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of DDR1 (unknown origin) using fluorescein-poly GAT as substrate measured after 1 hr by LANCE ULTRA kinase assay				Citation and Details Article DOI: 10.1016/j.bmc.2020.115876 BindingDB Entry DOI: 10.7270/Q2WW7NBN
					More data for this Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1 (Homo sapiens (Human))	BDBM50555126 (CHEMBL4742258) Show SMILES Cc1ccc(NC(=O)c2ccc(CN3CCOCC3)c(Cl)c2)cc1Oc1ccc(cc1)-c1n[nH]c2ncnc(N)c12 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.17E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of DDR1 (unknown origin) using fluorescein-poly GAT as substrate measured after 1 hr by LANCE ULTRA kinase assay				Citation and Details Article DOI: 10.1016/j.bmc.2020.115876 BindingDB Entry DOI: 10.7270/Q2WW7NBN
					More data for this Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1 (Homo sapiens (Human))	BDBM50555127 (CHEMBL4794626) Show SMILES Cc1ccc(NC(=O)c2ccc(CN3CCOCC3)c(Br)c2)cc1Oc1ccc(cc1)-c1n[nH]c2ncnc(N)c12 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.47E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of DDR1 (unknown origin) using fluorescein-poly GAT as substrate measured after 1 hr by LANCE ULTRA kinase assay				Citation and Details Article DOI: 10.1016/j.bmc.2020.115876 BindingDB Entry DOI: 10.7270/Q2WW7NBN
					More data for this Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1 (Homo sapiens (Human))	BDBM50555116 (CHEMBL4780068) Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Oc3ccc(cc3)-c3n[nH]c4ncnc(N)c34)c2)CC1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.69E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of DDR1 (unknown origin) using fluorescein-poly GAT as substrate measured after 1 hr by LANCE ULTRA kinase assay				Citation and Details Article DOI: 10.1016/j.bmc.2020.115876 BindingDB Entry DOI: 10.7270/Q2WW7NBN
					More data for this Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1 (Homo sapiens (Human))	BDBM50555124 (CHEMBL4749000) Show SMILES CC1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(Oc3ccc(cc3)-c3n[nH]c4ncnc(N)c34)c2)CC1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.81E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of DDR1 (unknown origin) using fluorescein-poly GAT as substrate measured after 1 hr by LANCE ULTRA kinase assay				Citation and Details Article DOI: 10.1016/j.bmc.2020.115876 BindingDB Entry DOI: 10.7270/Q2WW7NBN
					More data for this Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1 (Homo sapiens (Human))	BDBM50555125 (CHEMBL4758469) Show SMILES Cc1ccc(NC(=O)c2ccc(CN3CCOCC3)c(F)c2)cc1Oc1ccc(cc1)-c1n[nH]c2ncnc(N)c12 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.44E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of DDR1 (unknown origin) using fluorescein-poly GAT as substrate measured after 1 hr by LANCE ULTRA kinase assay				Citation and Details Article DOI: 10.1016/j.bmc.2020.115876 BindingDB Entry DOI: 10.7270/Q2WW7NBN
					More data for this Ligand-Target Pair