Compile Data Set for Download or QSAR

Found 191 hits of ec50 for UniProtKB: Q13546   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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))	BDBM50583555 (CHEMBL5093571) Show SMILES O=C(N1CC(C1)Oc1ccccc1)N1N=CC[C@H]1c1ccccc1 |r,c:16| Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.5	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant N-terminal GST-tagged human RIPK1 (1 to 327 residues) expressed in baculovirus infected Sf9 insect cells preincubated for 4...				Citation and Details Article DOI: 10.1021/acsmedchemlett.2c00059 BindingDB Entry DOI: 10.7270/Q25B06C1
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM50583551 (CHEMBL5086676) Show SMILES Fc1cc(F)cc(c1)[C@@H]1CC=NN1C(=O)N1CC(C1)Oc1ccccc1F |r,c:11| Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	3.10	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant N-terminal GST-tagged human RIPK1 (1 to 327 residues) expressed in baculovirus infected Sf9 insect cells preincubated for 4...				Citation and Details Article DOI: 10.1021/acsmedchemlett.2c00059 BindingDB Entry DOI: 10.7270/Q25B06C1
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM50583552 (CHEMBL5094839) Show SMILES Fc1cc(F)cc(c1)[C@@H]1CC=NN1C(=O)N1CC(C1)Oc1ccccc1 |r,c:11| Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	3.80	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant N-terminal GST-tagged human RIPK1 (1 to 327 residues) expressed in baculovirus infected Sf9 insect cells preincubated for 4...				Citation and Details Article DOI: 10.1021/acsmedchemlett.2c00059 BindingDB Entry DOI: 10.7270/Q25B06C1
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM50583554 (CHEMBL5086705) Show SMILES C[C@H]1[C@H](CN1C(=O)N1N=CC[C@H]1c1ccc(Cl)cc1)Oc1ccc(F)cc1 |r,c:9| Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	<5.10	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant N-terminal GST-tagged human RIPK1 (1 to 327 residues) expressed in baculovirus infected Sf9 insect cells preincubated for 4...				Citation and Details Article DOI: 10.1021/acsmedchemlett.2c00059 BindingDB Entry DOI: 10.7270/Q25B06C1
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM50583550 (CHEMBL5093043) Show SMILES Fc1cc(F)cc(c1)[C@@H]1CC=NN1C(=O)N1CC(C1)C(=O)c1ccccc1 |r,c:11| Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	5.60	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant N-terminal GST-tagged human RIPK1 (1 to 327 residues) expressed in baculovirus infected Sf9 insect cells preincubated for 4...				Citation and Details Article DOI: 10.1021/acsmedchemlett.2c00059 BindingDB Entry DOI: 10.7270/Q25B06C1
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM50583553 (CHEMBL5089545) Show SMILES Fc1cc(F)cc(c1)[C@@H]1CC=NN1C(=O)N1CC(C1)Sc1ccc(Br)cc1 |r,c:11| Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	5.90	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant N-terminal GST-tagged human RIPK1 (1 to 327 residues) expressed in baculovirus infected Sf9 insect cells preincubated for 4...				Citation and Details Article DOI: 10.1021/acsmedchemlett.2c00059 BindingDB Entry DOI: 10.7270/Q25B06C1
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM50229700 (CHEMBL4085167) Show SMILES CCC(C)(C)C(=O)N(C)Cc1cc(F)cc(F)c1F Show InChI InChI=1S/C14H18F3NO/c1-5-14(2,3)13(19)18(4)8-9-6-10(15)7-11(16)12(9)17/h6-7H,5,8H2,1-4H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	12	n/a	n/a	n/a	n/a
National Institute of Biological Sciences Curated by ChEMBL					Assay Description Inhibition of RIP1 in human HT-29 cells assessed as reduction in TNFalpha/z-VAD-FMK-induced necrosis after 24 hrs by Cell Titer-Glo luminescent cell ...				J Med Chem 60: 972-986 (2017) Article DOI: 10.1021/acs.jmedchem.6b01196 BindingDB Entry DOI: 10.7270/Q2QC05QD
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM647669 (3-[(5S)-5-(3,5-difluorophenyl)-3-oxo- 6,7-dihydro-...) Show SMILES Fc1cc(F)cc(c1)[C@@H]1CCc2nn(c(=O)n12)C12CC(C1)(C2)C#N |r| Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	MCE PC cid PC sid UniChem		n/a	n/a	n/a	n/a	14.8	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM647769 ((S)-5-(3,5-difluoro-4-methylphenyl)-2- (3-fluorobi...) Show SMILES Cc1c(F)cc(cc1F)[C@@H]1CCc2nn(c(=O)n12)C12CC(F)(C1)C2 |r| Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	n/a	15.8	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM647761 ((S)-3-(5-(3,5-difluoro-4- methylphenyl)-3-oxo-6,7-...) Show SMILES Cc1c(F)cc(cc1F)[C@@H]1CCc2nn(c(=O)n12)C12CC(C1)(C2)C#N |r| Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	n/a	16.1	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM647694 ((S)-5-(4-chloro-3,5-difluorophenyl)-2- (3-fluorobi...) Show SMILES Fc1cc(cc(F)c1Cl)[C@@H]1CCc2nn(c(=O)n12)C12CC(F)(C1)C2 |r| Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	n/a	16.7	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM647724 ((S)-5-(3-fluoro-5-methylphenyl)-2-(3- fluorobicycl...) Show SMILES Cc1cc(F)cc(c1)[C@@H]1CCc2nn(c(=O)n12)C12CC(F)(C1)C2 |r| Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	n/a	17	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM647690 ((S)-5-(4-chloro-3-fluorophenyl)-2-(3- fluorobicycl...) Show SMILES Fc1cc(ccc1Cl)[C@@H]1CCc2nn(c(=O)n12)C12CC(F)(C1)C2 |r| Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	n/a	17.1	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM36372 ((5R)-5-[(7-chloro-1H-indol-3-yl)methyl]-3-methyl-2...) Show SMILES CN1C(=O)N[C@H](Cc2c[nH]c3c(Cl)cccc23)C1=O Show InChI InChI=1S/C13H12ClN3O2/c1-17-12(18)10(16-13(17)19)5-7-6-15-11-8(7)3-2-4-9(11)14/h2-4,6,10,15H,5H2,1H3,(H,16,19)/t10-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	n/a	n/a	18	n/a	n/a	7.3	30
Tufts University					Assay Description In vitro kinase assay using RIP1				Nat Chem Biol 4: 313-21 (2008) Article DOI: 10.1038/nchembio.83 BindingDB Entry DOI: 10.7270/Q21V5C91
					More data for this Ligand-Target Pair				3D Structure (crystal)
Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM647762 (3-[(5S)-7-(S or R)-fluoro-5-(2- fluorophenyl)-3-ox...) Show SMILES FC1C[C@@H](c2ccccc2F)n2c1nn(c2=O)C12CC(C1)(C2)C#N |r| Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	n/a	18.1	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM647746 ((5S)-5-(3,5-difluorophenyl)-7-(S or R)- fluoro-2-(...) Show SMILES FC1C[C@@H](c2cc(F)cc(F)c2)n2c1nn(c2=O)C12CC(F)(C1)C2 |r| Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	n/a	18.4	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM647743 ((S)-2-(3-chlorobicyclo[1.1.1]pentan-1- yl)-5-(3-fl...) Show SMILES Fc1cccc(c1)[C@@H]1CCc2nn(c(=O)n12)C12CC(Cl)(C1)C2 |r| Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	n/a	18.5	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM647702 (3-[(5S)-5-(3,5-difluorophenyl)-3-oxo- 6,7-dihydro-...) Show SMILES Fc1cc(F)cc(c1)[C@@H]1CCc2nn(c(=O)n12)C12CC(C1)(C#N)C2(F)F |r| Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	n/a	20	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM647754 (3-[(5S)-5-(3,5-difluorophenyl)-7-(S or R)-fluoro-3...) Show SMILES FC1C[C@@H](c2cc(F)cc(F)c2)n2c1nn(c2=O)C12CC(C1)(C2)C#N |r| Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	n/a	20.5	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM647688 ((S)-5-(2,6-difluoro-4-methylphenyl)-2- (3-fluorobi...) Show SMILES Cc1cc(F)c([C@@H]2CCc3nn(c(=O)n23)C23CC(F)(C2)C3)c(F)c1 |r| Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	n/a	20.9	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM647670 ((R)-3-(5-(3,5-difluorophenyl)-3-oxo- 5,6-dihydroth...) Show SMILES Fc1cc(F)cc(c1)[C@@H]1CSc2nn(c(=O)n12)C12CC(C1)(C2)C#N |r| Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	n/a	21.1	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM647684 ((S)-5-(3-chloro-5-fluoro-4- methylphenyl)-2-(3- fl...) Show SMILES Cc1c(F)cc(cc1Cl)[C@@H]1CCc2nn(c(=O)n12)C12CC(F)(C1)C2 |r| Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	n/a	21.2	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM647661 ((5S)-2-(bicyclo[2.2.1]heptan-1-yl)-5- phenyl-2,5,6...) Show SMILES O=c1n2[C@@H](CCc2nn1C12CCC(CC1)C2)c1ccccc1 |r| Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	n/a	21.6	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM647675 ((5S)-2-(3-chlorobicyclo[1.1.1]pentan- 1-yl)-5-(3,5...) Show SMILES Fc1cc(F)cc(c1)[C@@H]1CCc2nn(c(=O)n12)C12CC(Cl)(C1)C2 |r| Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	n/a	21.8	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM647758 (3-[(5S)-7-(S or R)-fluoro-3-oxo-5- phenyl-6,7-dihy...) Show SMILES FC1C[C@@H](c2ccccc2)n2c1nn(c2=O)C12CC(C1)(C2)C#N |r| Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	n/a	21.8	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM647750 ((5S)-7-(S or R)-fluoro-2-(3- fluorobicyclo[1.1.1]p...) Show SMILES FC1C[C@@H](c2ccccc2)n2c1nn(c2=O)C12CC(F)(C1)C2 |r| Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	n/a	21.9	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM647663 ((5S)-5-(3,5-difluorophenyl)-2-(3- fluorobicyclo[1....) Show SMILES Fc1cc(F)cc(c1)[C@@H]1CCc2nn(c(=O)n12)C12CC(F)(C1)C2 |r| Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	n/a	22.8	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM647691 ((S)-2-(3-fluorobicyclo[1.1.1]pentan-1- yl)-5-(3-fl...) Show SMILES Fc1cccc(c1)[C@@H]1CCc2nn(c(=O)n12)C12CC(F)(C1)C2 |r| Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	n/a	23.1	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM647744 ((5S,7S)-5-(3,5-difluorophenyl)-2-(3- fluorobicyclo...) Show SMILES O[C@H]1C[C@@H](c2cc(F)cc(F)c2)n2c1nn(c2=O)C12CC(F)(C1)C2 |r| Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	n/a	25.7	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM647715 ((5S)-2-[3- (difluoromethyl)bicyclo[1.1.1]pentan- 1...) Show SMILES FC(F)C12CC(C1)(C2)n1nc2CC[C@@H](c3cc(F)cc(F)c3)n2c1=O |r| Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	n/a	25.9	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM647677 ((5S)-2-(3-fluorobicyclo[1.1.1]pentan-1- yl)-5-(2-f...) Show SMILES Fc1ccccc1[C@@H]1CCc2nn(c(=O)n12)C12CC(F)(C1)C2 |r| Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	n/a	26.1	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM647727 ((5S)-2-[3-(1,1- difluoroethyl)bicyclo[1.1.1]pentan...) Show SMILES CC(F)(F)C12CC(C1)(C2)n1nc2CC[C@@H](c3cccc(F)c3)n2c1=O |r| Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	n/a	26.9	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM647692 ((S)-2-(3-fluorobicyclo[1.1.1]pentan-1- yl)-5-(3,4,...) Show SMILES Fc1cc(cc(F)c1F)[C@@H]1CCc2nn(c(=O)n12)C12CC(F)(C1)C2 |r| Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	n/a	27.5	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM50229025 (CHEMBL4092421) Show SMILES CCC(C)(C)C(=O)N(O)Cc1ccccc1 Show InChI InChI=1S/C13H19NO2/c1-4-13(2,3)12(15)14(16)10-11-8-6-5-7-9-11/h5-9,16H,4,10H2,1-3H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	28	n/a	n/a	n/a	n/a
National Institute of Biological Sciences Curated by ChEMBL					Assay Description Inhibition of RIP1 in human HT-29 cells assessed as reduction in TNFalpha/z-VAD-FMK-induced necrosis after 24 hrs by Cell Titer-Glo luminescent cell ...				J Med Chem 60: 972-986 (2017) Article DOI: 10.1021/acs.jmedchem.6b01196 BindingDB Entry DOI: 10.7270/Q2QC05QD
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM647686 ((S)-5-(3,5-difluoro-4-hydroxyphenyl)- 2-(3-fluorob...) Show SMILES Oc1c(F)cc(cc1F)[C@@H]1CCc2nn(c(=O)n12)C12CC(F)(C1)C2 |r| Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	n/a	28.2	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM647707 ((S)-3-(5-(3-fluorophenyl)-3-oxo-6,7- dihydro-3H-py...) Show SMILES Fc1cccc(c1)[C@@H]1CCc2nn(c(=O)n12)C12CC(C1)(C2)C#N |r| Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	n/a	29.7	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM647725 ((5S)-2-[3- (difluoromethyl)bicyclo[1.1.1]pentan- 1...) Show SMILES FC(F)C12CC(C1)(C2)n1nc2CC[C@@H](c3cccc(F)c3)n2c1=O |r| Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	n/a	30.4	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM647667 ((5S)-2-(bicyclo[2.1.1]hexan-1-yl)-5- (3,5-difluoro...) Show SMILES Fc1cc(F)cc(c1)[C@@H]1CCc2nn(c(=O)n12)C12CC(C1)CC2 |r,wU:8.8,(-1.69,3.89,;-2.46,2.55,;-4,2.55,;-4.77,1.22,;-6.31,1.22,;-4,-.11,;-2.46,-.11,;-1.69,1.22,;-1.69,-1.45,;-2.31,-2.86,;-1.17,-3.89,;.16,-3.12,;1.7,-3.28,;2.32,-1.87,;1.18,-.84,;1.34,.69,;-.16,-1.61,;3.83,-1.55,;4.46,-.14,;5.99,-.3,;5.37,-1.55,;6.31,-1.81,;4.97,-2.58,)| Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	n/a	31.1	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM647705 (3-[(5S)-5-(2-fluorophenyl)-3-oxo-6,7- dihydro-3H-p...) Show SMILES Fc1ccccc1[C@@H]1CCc2nn(c(=O)n12)C12CC(C1)(C2)C#N |r| Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	n/a	31.8	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM647741 ((5S)-2-(3-chlorobicyclo[1.1.1]pentan- 1-yl)-5-phen...) Show SMILES ClC12CC(C1)(C2)n1nc2CC[C@@H](c3ccccc3)n2c1=O |r| Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	n/a	32.9	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM647739 ((S)-5-(2,6-difluorophenyl)-2-(3- fluorobicyclo[1.1...) Show SMILES Fc1cccc(F)c1[C@@H]1CCc2nn(c(=O)n12)C12CC(F)(C1)C2 |r| Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	n/a	34	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM647665 ((5S)-5-(3,5-difluorophenyl)-2-(4- fluorobicyclo[2....) Show SMILES Fc1cc(F)cc(c1)[C@@H]1CCc2nn(c(=O)n12)C12CCC(F)(CC1)C2 |r| Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	n/a	34.8	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM50229585 (CHEMBL4076443) Show SMILES CCC(C)(C)C(=O)N(C)Cc1cc(F)ccc1F Show InChI InChI=1S/C14H19F2NO/c1-5-14(2,3)13(18)17(4)9-10-8-11(15)6-7-12(10)16/h6-8H,5,9H2,1-4H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	36	n/a	n/a	n/a	n/a
National Institute of Biological Sciences Curated by ChEMBL					Assay Description Inhibition of RIP1 in human HT-29 cells assessed as reduction in TNFalpha/z-VAD-FMK-induced necrosis after 24 hrs by Cell Titer-Glo luminescent cell ...				J Med Chem 60: 972-986 (2017) Article DOI: 10.1021/acs.jmedchem.6b01196 BindingDB Entry DOI: 10.7270/Q2QC05QD
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Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM647723 ((5S)-2-[3-(1,1- difluoroethyl)bicyclo[1.1.1]pentan...) Show SMILES CC(F)(F)C12CC(C1)(C2)n1nc2CC[C@@H](c3ccccc3)n2c1=O |r| Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	n/a	36.4	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM647721 ((5S)-2-[3- (difluoromethyl)bicyclo[1.1.1]pentan- 1...) Show SMILES FC(F)C12CC(C1)(C2)n1nc2CC[C@@H](c3ccccc3)n2c1=O |r| Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	n/a	36.8	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM647693 (3-[(5S)-3-oxo-5-phenyl-6,7-dihydro- 3H-pyrrolo[2,1...) Show SMILES O=c1n2[C@@H](CCc2nn1C12CC(C1)(C2)C#N)c1ccccc1 |r| Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	n/a	36.9	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM647749 ((S)-5-(4-chlorophenyl)-2-(3- fluorobicyclo[1.1.1]p...) Show SMILES FC12CC(C1)(C2)n1nc2CC[C@@H](c3ccc(Cl)cc3)n2c1=O |r| Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	n/a	37.7	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM647699 ((5S)-5-(3,5-difluorophenyl)-2-(4- fluoropentacy- c...) Show SMILES Fc1cc(F)cc(c1)[C@@H]1CCc2nn(c(=O)n12)C12C3C4C1C1C2C3C41F |r,wU:8.8,(-1.69,3.98,;-2.72,2.83,;-4.23,3.15,;-5.26,2.01,;-6.77,2.33,;-4.79,.54,;-3.28,.22,;-2.25,1.37,;-2.8,-1.24,;-3.71,-2.49,;-2.8,-3.73,;-1.34,-3.26,;.13,-3.73,;1.03,-2.49,;.13,-1.24,;.6,.22,;-1.34,-1.72,;2.57,-2.49,;3.34,-1.16,;4.83,-.76,;4.06,-2.09,;4.46,-3.58,;2.97,-3.98,;3.74,-2.65,;5.23,-2.25,;6.77,-2.25,)| Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	n/a	38.5	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM647740 ((5S,7S)-7-fluoro-2-(3- fluorobicyclo[1.1.1]pentan-...) Show SMILES F[C@H]1C[C@@H](c2cnccn2)n2c1nn(c2=O)C12CC(F)(C1)C2 |r| Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	n/a	38.8	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM647751 ((S)-3-(5-(4-chlorophenyl)-3-oxo-6,7- dihydro-3H-py...) Show SMILES Clc1ccc(cc1)[C@@H]1CCc2nn(c(=O)n12)C12CC(C1)(C2)C#N |r| Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	n/a	44	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair

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