Compile Data Set for Download or QSAR

Found 132 hits with Last Name = 'bufton' and Initial = 'jc'   

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
Nucleotide-binding oligomerization domain-containing protein 2 (Homo sapiens (Human))	BDBM50564984 (CHEMBL4781373) Show SMILES CCCS(=O)(=O)Nc1cc(cc(OC)c1OC)-c1cc(cnc1N)-c1ccc(cc1)N1CCNCC1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human NOD2 expressed in HEK293 cells coexpressing NFkappaB-SEAP reporter measured after 7 to 9 hrs by HEKBIue reporter assay				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112417 BindingDB Entry DOI: 10.7270/Q2M0495P
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50586579 (CHEMBL5081039) Show SMILES CS(=O)(=O)N1CCC[C@@H](C1)NC(=O)[C@H](CCC1CCCCC1)NC(=O)c1ccc(CNC(=O)c2cnn(c2N)-c2ccccc2)cc1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of p38alpha (unknown origin) expressed in HEK293T cells using NanoBRET NanoGlo substrate incubated for 2 hrs by NanoBRET assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00868 BindingDB Entry DOI: 10.7270/Q2X352CP
					More data for this Ligand-Target Pair
Activin receptor type-1 (Homo sapiens (Human))	BDBM50564978 (CHEMBL4776631) Show SMILES COc1cc(NS(=O)(=O)c2ccccc2)cc(c1)-c1cc(cnc1N)-c1ccc(cc1)N1CCNCC1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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 human ALK2 using casein as substrate in presence of 10 uM [gamma33P] ATP by kinase assay				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112417 BindingDB Entry DOI: 10.7270/Q2M0495P
					More data for this Ligand-Target Pair
Discoidin domain-containing receptor 2 (Homo sapiens (Human))	BDBM50586590 (CHEMBL5087073) Show SMILES CC(NC(=O)c1cnc2ccccn12)c1ccc(cc1)C(=O)N[C@H](CCC1CCCCC1)C(=O)NC1CCCN(C1)S(C)(=O)=O |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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 DDR2 (unknown origin) expressed in HEK293T cells using NanoBRET NanoGlo substrate incubated for 2 hrs by NanoBRET assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00868 BindingDB Entry DOI: 10.7270/Q2X352CP
					More data for this Ligand-Target Pair
Activin receptor type-1 (Homo sapiens (Human))	BDBM50564975 (CHEMBL4784430) Show SMILES COc1cc(NS(C)(=O)=O)cc(c1)-c1cc(cnc1N)-c1ccc(cc1)N1CCNCC1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB 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 human ALK2 using casein as substrate in presence of 10 uM [gamma33P] ATP by kinase assay				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112417 BindingDB Entry DOI: 10.7270/Q2M0495P
					More data for this Ligand-Target Pair
Activin receptor type-1 (Homo sapiens (Human))	BDBM50564976 (CHEMBL4800115) Show SMILES CCCS(=O)(=O)Nc1cc(OC)cc(c1)-c1cc(cnc1N)-c1ccc(cc1)N1CCNCC1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human ALK2 using casein as substrate in presence of 10 uM [gamma33P] ATP by kinase assay				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112417 BindingDB Entry DOI: 10.7270/Q2M0495P
					More data for this Ligand-Target Pair
Activin receptor type-1 (Homo sapiens (Human))	BDBM50564977 (CHEMBL4781705) Show SMILES COc1cc(NS(=O)(=O)C(C)C)cc(c1)-c1cc(cnc1N)-c1ccc(cc1)N1CCNCC1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human ALK2 using casein as substrate in presence of 10 uM [gamma33P] ATP by kinase assay				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112417 BindingDB Entry DOI: 10.7270/Q2M0495P
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50564997 (CHEMBL4799077) Show SMILES CCCS(=O)(=O)Nc1cc(cc(F)c1OC)-c1cc(cnc1N)-c1cccc(c1)N1CCNCC1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human RIPK2 incubated for 2 hr by ADP-Glo assay				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112417 BindingDB Entry DOI: 10.7270/Q2M0495P
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50564977 (CHEMBL4781705) Show SMILES COc1cc(NS(=O)(=O)C(C)C)cc(c1)-c1cc(cnc1N)-c1ccc(cc1)N1CCNCC1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human RIPK2 incubated for 2 hr by ADP-Glo assay				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112417 BindingDB Entry DOI: 10.7270/Q2M0495P
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50564976 (CHEMBL4800115) Show SMILES CCCS(=O)(=O)Nc1cc(OC)cc(c1)-c1cc(cnc1N)-c1ccc(cc1)N1CCNCC1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human RIPK2 incubated for 2 hr by ADP-Glo assay				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112417 BindingDB Entry DOI: 10.7270/Q2M0495P
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50556597 (CHEMBL4756586) Show SMILES CCNC(=O)[C@H](CCC1CCCCC1)NC(=O)c1ccc(CNC(=O)c2cnn(c2N)-c2ccccc2)cc1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of p38alpha (unknown origin) expressed in HEK293T cells using NanoBRET NanoGlo substrate incubated for 2 hrs by NanoBRET assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00868 BindingDB Entry DOI: 10.7270/Q2X352CP
					More data for this Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 2 (Homo sapiens (Human))	BDBM50564997 (CHEMBL4799077) Show SMILES CCCS(=O)(=O)Nc1cc(cc(F)c1OC)-c1cc(cnc1N)-c1cccc(c1)N1CCNCC1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human NOD2 expressed in HEK293 cells coexpressing NFkappaB-SEAP reporter measured after 7 to 9 hrs by HEKBIue reporter assay				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112417 BindingDB Entry DOI: 10.7270/Q2M0495P
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50564987 (CHEMBL4789724) Show SMILES CCCS(=O)(=O)Nc1cc(cc(F)c1OC)-c1cc(cnc1N)-c1ccc(cc1)N1CCNCC1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human RIPK2 incubated for 2 hr by ADP-Glo assay				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112417 BindingDB Entry DOI: 10.7270/Q2M0495P
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50556598 (CHEMBL4778587) Show SMILES CCCNC(=O)[C@H](CCC1CCCCC1)NC(=O)c1ccc(CNC(=O)c2cnn(c2N)-c2ccccc2)cc1 |r| 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	17	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of p38alpha (unknown origin) expressed in HEK293T cells using NanoBRET NanoGlo substrate incubated for 2 hrs by NanoBRET assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00868 BindingDB Entry DOI: 10.7270/Q2X352CP
					More data for this Ligand-Target Pair
Discoidin domain-containing receptor 2 (Homo sapiens (Human))	BDBM50586589 (SR-302) Show SMILES CS(=O)(=O)N1CCCC(C1)NC(=O)[C@H](CCC1CCCCC1)NC(=O)c1ccc(CNC(=O)c2cnc3ccccn23)cc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of DDR2 (unknown origin) expressed in HEK293T cells using NanoBRET NanoGlo substrate incubated for 2 hrs by NanoBRET assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00868 BindingDB Entry DOI: 10.7270/Q2X352CP
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50564980 (CHEMBL4792496) Show SMILES CC(C)Oc1cc(NS(=O)(=O)C(C)C)cc(c1)-c1cc(cnc1N)-c1ccc(cc1)N1CCNCC1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human RIPK2 incubated for 2 hr by ADP-Glo assay				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112417 BindingDB Entry DOI: 10.7270/Q2M0495P
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50564984 (CHEMBL4781373) Show SMILES CCCS(=O)(=O)Nc1cc(cc(OC)c1OC)-c1cc(cnc1N)-c1ccc(cc1)N1CCNCC1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human RIPK2 incubated for 2 hr by ADP-Glo assay				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112417 BindingDB Entry DOI: 10.7270/Q2M0495P
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50564979 (CHEMBL4795976) Show SMILES CCOc1cc(NS(=O)(=O)C(C)C)cc(c1)-c1cc(cnc1N)-c1ccc(cc1)N1CCNCC1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human RIPK2 incubated for 2 hr by ADP-Glo assay				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112417 BindingDB Entry DOI: 10.7270/Q2M0495P
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50564988 (CHEMBL4793153) Show SMILES CCCS(=O)(=O)Nc1cc(cc(Cl)c1OC)-c1cc(cnc1N)-c1ccc(cc1)N1CCNCC1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human RIPK2 incubated for 2 hr by ADP-Glo assay				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112417 BindingDB Entry DOI: 10.7270/Q2M0495P
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50564978 (CHEMBL4776631) Show SMILES COc1cc(NS(=O)(=O)c2ccccc2)cc(c1)-c1cc(cnc1N)-c1ccc(cc1)N1CCNCC1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human RIPK2 incubated for 2 hr by ADP-Glo assay				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112417 BindingDB Entry DOI: 10.7270/Q2M0495P
					More data for this Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1 (Homo sapiens (Human))	BDBM50586589 (SR-302) Show SMILES CS(=O)(=O)N1CCCC(C1)NC(=O)[C@H](CCC1CCCCC1)NC(=O)c1ccc(CNC(=O)c2cnc3ccccn23)cc1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of DDR1 (unknown origin) expressed in HEK293T cells using NanoBRET NanoGlo substrate incubated for 2 hrs by NanoBRET assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00868 BindingDB Entry DOI: 10.7270/Q2X352CP
					More data for this Ligand-Target Pair
Activin receptor type-1 (Homo sapiens (Human))	BDBM50056676 (CHEMBL3341789) Show SMILES COc1cc(cc(OC)c1OC)-c1cc(cnc1C)-c1ccc(cc1)N1CCNCC1 Show InChI InChI=1S/C25H29N3O3/c1-17-22(19-14-23(29-2)25(31-4)24(15-19)30-3)13-20(16-27-17)18-5-7-21(8-6-18)28-11-9-26-10-12-28/h5-8,13-16,26H,9-12H2,1-4H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human ALK2 using casein as substrate in presence of 10 uM [gamma33P] ATP by kinase assay				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112417 BindingDB Entry DOI: 10.7270/Q2M0495P
					More data for this Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 2 (Homo sapiens (Human))	BDBM50564987 (CHEMBL4789724) Show SMILES CCCS(=O)(=O)Nc1cc(cc(F)c1OC)-c1cc(cnc1N)-c1ccc(cc1)N1CCNCC1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human NOD2 expressed in HEK293 cells coexpressing NFkappaB-SEAP reporter measured after 7 to 9 hrs by HEKBIue reporter assay				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112417 BindingDB Entry DOI: 10.7270/Q2M0495P
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50564993 (CHEMBL4782505) Show SMILES CCCS(=O)(=O)Nc1cc(cc(F)c1OC)-c1cncc(c1)-c1ccc(cc1)N1CCNCC1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human RIPK2 incubated for 2 hr by ADP-Glo assay				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112417 BindingDB Entry DOI: 10.7270/Q2M0495P
					More data for this Ligand-Target Pair
Activin receptor type-1 (Homo sapiens (Human))	BDBM50564989 (CHEMBL4781201) Show SMILES COc1cc(cc(F)c1OC)-c1cc(cnc1N)-c1ccc(cc1)N1CCNCC1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank 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 human ALK2 using casein as substrate in presence of 10 uM [gamma33P] ATP by kinase assay				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112417 BindingDB Entry DOI: 10.7270/Q2M0495P
					More data for this Ligand-Target Pair
Activin receptor type-1 (Homo sapiens (Human))	BDBM50564971 (CHEMBL4779127) Show SMILES COc1cc(NS(C)(=O)=O)cc(c1)-c1cc(cnc1C)-c1ccc(cc1)N1CCNCC1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human ALK2 using casein as substrate in presence of 10 uM [gamma33P] ATP by kinase assay				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112417 BindingDB Entry DOI: 10.7270/Q2M0495P
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50564981 (CHEMBL4786742) Show SMILES CCCS(=O)(=O)Nc1cc(ccc1OC)-c1cc(cnc1N)-c1ccc(cc1)N1CCNCC1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human RIPK2 incubated for 2 hr by ADP-Glo assay				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112417 BindingDB Entry DOI: 10.7270/Q2M0495P
					More data for this Ligand-Target Pair				3D Structure (crystal)
Receptor-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50564989 (CHEMBL4781201) Show SMILES COc1cc(cc(F)c1OC)-c1cc(cnc1N)-c1ccc(cc1)N1CCNCC1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human RIPK2 incubated for 2 hr by ADP-Glo assay				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112417 BindingDB Entry DOI: 10.7270/Q2M0495P
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50564986 (CHEMBL4788375) Show SMILES CCCS(=O)(=O)Nc1cc(cc(C)c1OC)-c1cc(cnc1N)-c1ccc(cc1)N1CCNCC1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human RIPK2 incubated for 2 hr by ADP-Glo assay				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112417 BindingDB Entry DOI: 10.7270/Q2M0495P
					More data for this Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1 (Homo sapiens (Human))	BDBM50586590 (CHEMBL5087073) Show SMILES CC(NC(=O)c1cnc2ccccn12)c1ccc(cc1)C(=O)N[C@H](CCC1CCCCC1)C(=O)NC1CCCN(C1)S(C)(=O)=O |r| 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) expressed in HEK293T cells using NanoBRET NanoGlo substrate incubated for 2 hrs by NanoBRET assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00868 BindingDB Entry DOI: 10.7270/Q2X352CP
					More data for this Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 2 (Homo sapiens (Human))	BDBM50564988 (CHEMBL4793153) Show SMILES CCCS(=O)(=O)Nc1cc(cc(Cl)c1OC)-c1cc(cnc1N)-c1ccc(cc1)N1CCNCC1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human NOD2 expressed in HEK293 cells coexpressing NFkappaB-SEAP reporter measured after 7 to 9 hrs by HEKBIue reporter assay				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112417 BindingDB Entry DOI: 10.7270/Q2M0495P
					More data for this Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 2 (Homo sapiens (Human))	BDBM50564979 (CHEMBL4795976) Show SMILES CCOc1cc(NS(=O)(=O)C(C)C)cc(c1)-c1cc(cnc1N)-c1ccc(cc1)N1CCNCC1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human NOD2 expressed in HEK293 cells coexpressing NFkappaB-SEAP reporter measured after 7 to 9 hrs by HEKBIue reporter assay				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112417 BindingDB Entry DOI: 10.7270/Q2M0495P
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50564975 (CHEMBL4784430) Show SMILES COc1cc(NS(C)(=O)=O)cc(c1)-c1cc(cnc1N)-c1ccc(cc1)N1CCNCC1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	51	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human RIPK2 incubated for 2 hr by ADP-Glo assay				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112417 BindingDB Entry DOI: 10.7270/Q2M0495P
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nucleotide-binding oligomerization domain-containing protein 2 (Homo sapiens (Human))	BDBM50564978 (CHEMBL4776631) Show SMILES COc1cc(NS(=O)(=O)c2ccccc2)cc(c1)-c1cc(cnc1N)-c1ccc(cc1)N1CCNCC1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	53	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human NOD2 expressed in HEK293 cells coexpressing NFkappaB-SEAP reporter measured after 7 to 9 hrs by HEKBIue reporter assay				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112417 BindingDB Entry DOI: 10.7270/Q2M0495P
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50564982 (CHEMBL4786295) Show SMILES CCCS(=O)(=O)Nc1cc(ccc1O)-c1cc(cnc1N)-c1ccc(cc1)N1CCNCC1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	54	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human RIPK2 incubated for 2 hr by ADP-Glo assay				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112417 BindingDB Entry DOI: 10.7270/Q2M0495P
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50586581 (CHEMBL5079394) Show SMILES Nc1c(cnn1-c1ccccc1)C(=O)NCc1ccc(cc1)C(=O)N[C@@H](CCC1CCCCC1)C(=O)NC1CCCN(C1)C1COC1 |r| 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	57	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of p38alpha (unknown origin) expressed in HEK293T cells using NanoBRET NanoGlo substrate incubated for 2 hrs by NanoBRET assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00868 BindingDB Entry DOI: 10.7270/Q2X352CP
					More data for this Ligand-Target Pair
Activin receptor type-1 (Homo sapiens (Human))	BDBM50564984 (CHEMBL4781373) Show SMILES CCCS(=O)(=O)Nc1cc(cc(OC)c1OC)-c1cc(cnc1N)-c1ccc(cc1)N1CCNCC1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	57	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human ALK2 using casein as substrate in presence of 10 uM [gamma33P] ATP by kinase assay				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112417 BindingDB Entry DOI: 10.7270/Q2M0495P
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50564974 (CHEMBL4792227) Show SMILES COc1cc(NS(=O)(=O)C(C)C)cc(c1)-c1cc(cnc1C)-c1ccc(cc1)N1CCNCC1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	76	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human RIPK2 incubated for 2 hr by ADP-Glo assay				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112417 BindingDB Entry DOI: 10.7270/Q2M0495P
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50564992 (CHEMBL4797951) Show SMILES CCCS(=O)(=O)N1CCOc2ccc(cc12)-c1cc(cnc1N)-c1ccc(cc1)N1CCNCC1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	78	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human RIPK2 incubated for 2 hr by ADP-Glo assay				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112417 BindingDB Entry DOI: 10.7270/Q2M0495P
					More data for this Ligand-Target Pair
Activin receptor type-1 (Homo sapiens (Human))	BDBM50564972 (CHEMBL4776443) Show SMILES CCS(=O)(=O)Nc1cc(OC)cc(c1)-c1cc(cnc1C)-c1ccc(cc1)N1CCNCC1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	86	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human ALK2 using casein as substrate in presence of 10 uM [gamma33P] ATP by kinase assay				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112417 BindingDB Entry DOI: 10.7270/Q2M0495P
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50586580 (CHEMBL5075462) Show SMILES Nc1c(cnn1-c1ccccc1)C(=O)NCc1ccc(cc1)C(=O)N[C@@H](CCC1CCCCC1)C(=O)NC1CCCN(C1)C(=O)C1CC1 |r| 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	92	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of p38alpha (unknown origin) expressed in HEK293T cells using NanoBRET NanoGlo substrate incubated for 2 hrs by NanoBRET assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00868 BindingDB Entry DOI: 10.7270/Q2X352CP
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50564990 (CHEMBL4783273) Show SMILES CCCS(=O)(=O)NCc1cc(ccc1OC)-c1cc(cnc1N)-c1ccc(cc1)N1CCNCC1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	99	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human RIPK2 incubated for 2 hr by ADP-Glo assay				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112417 BindingDB Entry DOI: 10.7270/Q2M0495P
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50056676 (CHEMBL3341789) Show SMILES COc1cc(cc(OC)c1OC)-c1cc(cnc1C)-c1ccc(cc1)N1CCNCC1 Show InChI InChI=1S/C25H29N3O3/c1-17-22(19-14-23(29-2)25(31-4)24(15-19)30-3)13-20(16-27-17)18-5-7-21(8-6-18)28-11-9-26-10-12-28/h5-8,13-16,26H,9-12H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human RIPK2 incubated for 2 hr by ADP-Glo assay				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112417 BindingDB Entry DOI: 10.7270/Q2M0495P
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50564983 (CHEMBL4800562) Show SMILES CCCS(=O)(=O)Nc1cc(ccc1C)-c1cc(cnc1N)-c1ccc(cc1)N1CCNCC1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	102	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human RIPK2 incubated for 2 hr by ADP-Glo assay				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112417 BindingDB Entry DOI: 10.7270/Q2M0495P
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50564995 (CHEMBL4780183) Show SMILES CCCS(=O)(=O)Nc1cc(ccc1OC)-c1cc(cnc1N)-c1cccc(c1)S(C)(=O)=O Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	103	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human RIPK2 incubated for 2 hr by ADP-Glo assay				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112417 BindingDB Entry DOI: 10.7270/Q2M0495P
					More data for this Ligand-Target Pair
Activin receptor type-1 (Homo sapiens (Human))	BDBM50564973 (CHEMBL4782562) Show SMILES CCCS(=O)(=O)Nc1cc(OC)cc(c1)-c1cc(cnc1C)-c1ccc(cc1)N1CCNCC1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	108	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human ALK2 using casein as substrate in presence of 10 uM [gamma33P] ATP by kinase assay				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112417 BindingDB Entry DOI: 10.7270/Q2M0495P
					More data for this Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 2 (Homo sapiens (Human))	BDBM50564977 (CHEMBL4781705) Show SMILES COc1cc(NS(=O)(=O)C(C)C)cc(c1)-c1cc(cnc1N)-c1ccc(cc1)N1CCNCC1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	121	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human NOD2 expressed in HEK293 cells coexpressing NFkappaB-SEAP reporter measured after 7 to 9 hrs by HEKBIue reporter assay				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112417 BindingDB Entry DOI: 10.7270/Q2M0495P
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50586589 (SR-302) Show SMILES CS(=O)(=O)N1CCCC(C1)NC(=O)[C@H](CCC1CCCCC1)NC(=O)c1ccc(CNC(=O)c2cnc3ccccn23)cc1 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	125	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of p38alpha (unknown origin) expressed in HEK293T cells using NanoBRET NanoGlo substrate incubated for 2 hrs by NanoBRET assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00868 BindingDB Entry DOI: 10.7270/Q2X352CP
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50564972 (CHEMBL4776443) Show SMILES CCS(=O)(=O)Nc1cc(OC)cc(c1)-c1cc(cnc1C)-c1ccc(cc1)N1CCNCC1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	127	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human RIPK2 incubated for 2 hr by ADP-Glo assay				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112417 BindingDB Entry DOI: 10.7270/Q2M0495P
					More data for this Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 2 (Homo sapiens (Human))	BDBM50564986 (CHEMBL4788375) Show SMILES CCCS(=O)(=O)Nc1cc(cc(C)c1OC)-c1cc(cnc1N)-c1ccc(cc1)N1CCNCC1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	129	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human NOD2 expressed in HEK293 cells coexpressing NFkappaB-SEAP reporter measured after 7 to 9 hrs by HEKBIue reporter assay				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112417 BindingDB Entry DOI: 10.7270/Q2M0495P
					More data for this Ligand-Target Pair

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