Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Receptor-interacting serine/threonine-protein kinase 1' and Ligand = 'BDBM50244721'   

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
Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM50244721 (CHEMBL4100398) Show SMILES CN1c2ccc(cc2OC[C@H](N2CCc3c(Cl)n(Cc4ccccc4)nc3C2=O)C1=O)C#N |r| Show InChI InChI=1S/C24H20ClN5O3/c1-28-18-8-7-16(12-26)11-20(18)33-14-19(23(28)31)29-10-9-17-21(24(29)32)27-30(22(17)25)13-15-5-3-2-4-6-15/h2-8,11,19H,9-10,13-14H2,1H3/t19-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	0.912	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of fluorescent-labeled 3-(3-((3-(4-amino-5-(4-(3-(2-fluoro-5-(trifluoromethyl)phenyl)ureido)-phenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)propy...				J Med Chem 61: 2384-2409 (2018) Article DOI: 10.1021/acs.jmedchem.7b01647 BindingDB Entry DOI: 10.7270/Q2V98BGX
					More data for this Ligand-Target Pair				3D Structure (crystal)
Receptor-interacting serine/threonine-protein kinase 1 (Mus musculus)	BDBM50244721 (CHEMBL4100398) Show SMILES CN1c2ccc(cc2OC[C@H](N2CCc3c(Cl)n(Cc4ccccc4)nc3C2=O)C1=O)C#N |r| Show InChI InChI=1S/C24H20ClN5O3/c1-28-18-8-7-16(12-26)11-20(18)33-14-19(23(28)31)29-10-9-17-21(24(29)32)27-30(22(17)25)13-15-5-3-2-4-6-15/h2-8,11,19H,9-10,13-14H2,1H3/t19-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	81	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of fluorescent-labeled 3-(3-((3-(4-amino-5-(4-(3-(2-fluoro-5-(trifluoromethyl)phenyl)ureido)-phenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)propy...				J Med Chem 61: 2384-2409 (2018) Article DOI: 10.1021/acs.jmedchem.7b01647 BindingDB Entry DOI: 10.7270/Q2V98BGX
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM50244721 (CHEMBL4100398) Show SMILES CN1c2ccc(cc2OC[C@H](N2CCc3c(Cl)n(Cc4ccccc4)nc3C2=O)C1=O)C#N |r| Show InChI InChI=1S/C24H20ClN5O3/c1-28-18-8-7-16(12-26)11-20(18)33-14-19(23(28)31)29-10-9-17-21(24(29)32)27-30(22(17)25)13-15-5-3-2-4-6-15/h2-8,11,19H,9-10,13-14H2,1H3/t19-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of RIPK1 in human HT-29 cells assessed as decrease in TNFalpha/AT-406/zVAD-FMK-induced MLKL phosphorylation at S358 residue preincubated f...				J Med Chem 61: 2384-2409 (2018) Article DOI: 10.1021/acs.jmedchem.7b01647 BindingDB Entry DOI: 10.7270/Q2V98BGX
					More data for this Ligand-Target Pair				3D Structure (crystal)
Receptor-interacting serine/threonine-protein kinase 1 (Mus musculus)	BDBM50244721 (CHEMBL4100398) Show SMILES CN1c2ccc(cc2OC[C@H](N2CCc3c(Cl)n(Cc4ccccc4)nc3C2=O)C1=O)C#N |r| Show InChI InChI=1S/C24H20ClN5O3/c1-28-18-8-7-16(12-26)11-20(18)33-14-19(23(28)31)29-10-9-17-21(24(29)32)27-30(22(17)25)13-15-5-3-2-4-6-15/h2-8,11,19H,9-10,13-14H2,1H3/t19-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of RIPK1 in mouse L929 cells assessed as decrease in TNFalpha/zVAD-FMK-induced MLKL phosphorylation at S358 residue preincubated for 30 mi...				J Med Chem 61: 2384-2409 (2018) Article DOI: 10.1021/acs.jmedchem.7b01647 BindingDB Entry DOI: 10.7270/Q2V98BGX
					More data for this Ligand-Target Pair