Compile Data Set for Download or QSAR

Found 21 hits with Last Name = 'pfaffenrot' and Initial = 'b'   

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
Dual specificity mitogen-activated protein kinase kinase 4 (Homo sapiens (Human))	BDBM50567689 (CHEMBL4790247) Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2n[nH]c3ncc(cc23)-c2ccc(cc2)S(=O)(=O)NC(C)=O)c1F Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of MKK4 (unknown origin) by PanQinase assay				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113371 BindingDB Entry DOI: 10.7270/Q2ZG6X0K
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 4 (Homo sapiens (Human))	BDBM50567688 (CHEMBL4784779) Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2n[nH]c3ncc(cc23)-c2ccc(cc2)S(N)(=O)=O)c1F Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	89	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of MKK4 (unknown origin) by PanQinase assay				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113371 BindingDB Entry DOI: 10.7270/Q2ZG6X0K
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 4 (Homo sapiens (Human))	BDBM50567686 (CHEMBL4798975) Show SMILES NS(=O)(=O)c1ccc(cc1)-c1cnc2[nH]nc(C(=O)c3c(F)ccc(NS(=O)(=O)Cc4ccccc4)c3F)c2c1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	146	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of MKK4 (unknown origin) by PanQinase assay				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113371 BindingDB Entry DOI: 10.7270/Q2ZG6X0K
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 4 (Homo sapiens (Human))	BDBM50592884 (CHEMBL3716507) Show SMILES NC(=O)c1ccc2[nH]c3ncnc(-c4ccccc4)c3c2c1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114584 BindingDB Entry DOI: 10.7270/Q20C50SM
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 6 (Homo sapiens (Human))	BDBM50592884 (CHEMBL3716507) Show SMILES NC(=O)c1ccc2[nH]c3ncnc(-c4ccccc4)c3c2c1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114584 BindingDB Entry DOI: 10.7270/Q20C50SM
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 8 (Homo sapiens (Human))	BDBM50567686 (CHEMBL4798975) Show SMILES NS(=O)(=O)c1ccc(cc1)-c1cnc2[nH]nc(C(=O)c3c(F)ccc(NS(=O)(=O)Cc4ccccc4)c3F)c2c1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to wild-type human full length JNK1 (M1 to Q384 residues) expressed in mammalian expression system by Kinomescan method				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113371 BindingDB Entry DOI: 10.7270/Q2ZG6X0K
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 8 (Homo sapiens (Human))	BDBM50567687 (CHEMBL4865410) Show SMILES Nc1ccc(cc1)-c1cnc2[nH]nc(C(=O)c3c(F)ccc(NS(=O)(=O)Cc4ccccc4)c3F)c2c1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to wild-type human full length JNK1 (M1 to Q384 residues) expressed in mammalian expression system by Kinomescan method				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113371 BindingDB Entry DOI: 10.7270/Q2ZG6X0K
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 5 (Homo sapiens (Human))	BDBM50567686 (CHEMBL4798975) Show SMILES NS(=O)(=O)c1ccc(cc1)-c1cnc2[nH]nc(C(=O)c3c(F)ccc(NS(=O)(=O)Cc4ccccc4)c3F)c2c1 Show InChI	NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to wild-type human partial length MAP4K5 (M1 to P297 residues) expressed in bacterial expression system by Kinomescan method				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113371 BindingDB Entry DOI: 10.7270/Q2ZG6X0K
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 5 (Homo sapiens (Human))	BDBM50567687 (CHEMBL4865410) Show SMILES Nc1ccc(cc1)-c1cnc2[nH]nc(C(=O)c3c(F)ccc(NS(=O)(=O)Cc4ccccc4)c3F)c2c1 Show InChI	NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	5.80	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to wild-type human partial length MAP4K5 (M1 to P297 residues) expressed in bacterial expression system by Kinomescan method				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113371 BindingDB Entry DOI: 10.7270/Q2ZG6X0K
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 4 (Homo sapiens (Human))	BDBM50567686 (CHEMBL4798975) Show SMILES NS(=O)(=O)c1ccc(cc1)-c1cnc2[nH]nc(C(=O)c3c(F)ccc(NS(=O)(=O)Cc4ccccc4)c3F)c2c1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to wild-type human partial length MKK4 (S84 to D399 residues) expressed in mammalian expression system by Kinomescan method				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113371 BindingDB Entry DOI: 10.7270/Q2ZG6X0K
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 4 (Homo sapiens (Human))	BDBM50567687 (CHEMBL4865410) Show SMILES Nc1ccc(cc1)-c1cnc2[nH]nc(C(=O)c3c(F)ccc(NS(=O)(=O)Cc4ccccc4)c3F)c2c1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to wild-type human partial length MKK4 (S84 to D399 residues) expressed in mammalian expression system by Kinomescan method				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113371 BindingDB Entry DOI: 10.7270/Q2ZG6X0K
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 7 (Homo sapiens (Human))	BDBM50567686 (CHEMBL4798975) Show SMILES NS(=O)(=O)c1ccc(cc1)-c1cnc2[nH]nc(C(=O)c3c(F)ccc(NS(=O)(=O)Cc4ccccc4)c3F)c2c1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to wild-type human full length MKK7 (M1 to R419 residues) expressed in mammalian expression system by Kinomescan method				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113371 BindingDB Entry DOI: 10.7270/Q2ZG6X0K
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 7 (Homo sapiens (Human))	BDBM50567687 (CHEMBL4865410) Show SMILES Nc1ccc(cc1)-c1cnc2[nH]nc(C(=O)c3c(F)ccc(NS(=O)(=O)Cc4ccccc4)c3F)c2c1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to wild-type human full length MKK7 (M1 to R419 residues) expressed in mammalian expression system by Kinomescan method				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113371 BindingDB Entry DOI: 10.7270/Q2ZG6X0K
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 20 (Homo sapiens (Human))	BDBM50567686 (CHEMBL4798975) Show SMILES NS(=O)(=O)c1ccc(cc1)-c1cnc2[nH]nc(C(=O)c3c(F)ccc(NS(=O)(=O)Cc4ccccc4)c3F)c2c1 Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to wild-type human partial length ZAK (M1 to L331 residues) expressed in bacterial expression system by Kinomescan method				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113371 BindingDB Entry DOI: 10.7270/Q2ZG6X0K
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 20 (Homo sapiens (Human))	BDBM50567687 (CHEMBL4865410) Show SMILES Nc1ccc(cc1)-c1cnc2[nH]nc(C(=O)c3c(F)ccc(NS(=O)(=O)Cc4ccccc4)c3F)c2c1 Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	9.5	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to wild-type human partial length ZAK (M1 to L331 residues) expressed in bacterial expression system by Kinomescan method				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113371 BindingDB Entry DOI: 10.7270/Q2ZG6X0K
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50567687 (CHEMBL4865410) Show SMILES Nc1ccc(cc1)-c1cnc2[nH]nc(C(=O)c3c(F)ccc(NS(=O)(=O)Cc4ccccc4)c3F)c2c1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	610	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to wild-type human partial length BRAF (S429 to E741 residues) expressed in mammalian expression system by Kinomescan method				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113371 BindingDB Entry DOI: 10.7270/Q2ZG6X0K
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50567686 (CHEMBL4798975) Show SMILES NS(=O)(=O)c1ccc(cc1)-c1cnc2[nH]nc(C(=O)c3c(F)ccc(NS(=O)(=O)Cc4ccccc4)c3F)c2c1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	450	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to wild-type human partial length BRAF (S429 to E741 residues) expressed in mammalian expression system by Kinomescan method				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113371 BindingDB Entry DOI: 10.7270/Q2ZG6X0K
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 4 (Mus musculus)	BDBM50568580 (CHEMBL4857316) Show SMILES Fc1c(NS(=O)(=O)Cc2ccccc2)cccc1C(=O)c1c[nH]c2ncc(cc12)-c1cnc(nc1)C1CC1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to GST tagged mouse MKK4 expressed in Escherichia coli expression system measured by Kinomescan assay				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112963 BindingDB Entry DOI: 10.7270/Q2MW2MXG
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 4 (Mus musculus)	BDBM50568579 (CHEMBL4848804) Show SMILES COc1ncc(cn1)-c1cnc2[nH]cc(C(=O)c3cccc(NS(=O)(=O)Cc4ccccc4)c3F)c2c1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	0.850	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to GST tagged mouse MKK4 expressed in Escherichia coli expression system measured by Kinomescan assay				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112963 BindingDB Entry DOI: 10.7270/Q2MW2MXG
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 4 (Mus musculus)	BDBM50396483 (PLX-4032 | RG 7204 | Ro 5185426 | US10570155, Vemu...) Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(cc23)-c2ccc(Cl)cc2)c1F Show InChI InChI=1S/C23H18ClF2N3O3S/c1-2-9-33(31,32)29-19-8-7-18(25)20(21(19)26)22(30)17-12-28-23-16(17)10-14(11-27-23)13-3-5-15(24)6-4-13/h3-8,10-12,29H,2,9H2,1H3,(H,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	8.20	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to GST tagged mouse MKK4 expressed in Escherichia coli expression system measured by Kinomescan assay				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112963 BindingDB Entry DOI: 10.7270/Q2MW2MXG
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 4 (Mus musculus)	BDBM50568578 (CHEMBL4868537) Show SMILES Fc1c(NS(=O)(=O)Cc2ccccc2)cccc1C(=O)c1c[nH]c2ncc(cc12)-c1cc2OCCOc2cc1Cl Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to GST tagged mouse MKK4 expressed in Escherichia coli expression system measured by Kinomescan assay				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112963 BindingDB Entry DOI: 10.7270/Q2MW2MXG
					More data for this Ligand-Target Pair