Compile Data Set for Download or QSAR

Found 1468 hits Enz. Inhib. hit(s) with Target = 'Receptor-interacting serine/threonine-protein kinase 2'   

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 2 (Homo sapiens (Human))	BDBM50537138 (CHEMBL4531690) Show SMILES Clc1cc2OCCOCCNc3ccn4ncc(-c(c1)c2)c4n3 Show InChI InChI=1S/C16H15ClN4O2/c17-12-7-11-8-13(9-12)23-6-5-22-4-2-18-15-1-3-21-16(20-15)14(11)10-19-21/h1,3,7-10H,2,4-6H2,(H,18,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	0.0110	n/a	n/a	n/a	n/a	n/a	n/a
Johann Wolfgang Goethe University Curated by ChEMBL					Assay Description Displacement of fluorescent tracer from N-terminus of human RIPK2 expressed in HEK293T cells after 2 hrs by NanoBRET target engagement assay				J Med Chem 62: 2830-2836 (2019) Article DOI: 10.1021/acs.jmedchem.8b01213 BindingDB Entry DOI: 10.7270/Q28919C7
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50574936 (CHEMBL4857880) Show SMILES [H][C@]12CC[C@H](N1C(=O)[C@H](CN(CC2)C(=O)c1cnc(cn1)N1CCN(CCCOc2cc3ncnc(Nc4n[nH]c(C)c4C)c3cc2S(=O)(=O)C(C)(C)C)CC1)NC(=O)[C@H](C)NC)C(=O)N[C@@H]1CCCc2ccccc12 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of full length His-tagged RIPK2 (unknown origin) expressed in baculovirus expression system using fluorescent labelled ATP competitive lig...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01118 BindingDB Entry DOI: 10.7270/Q2VD739F
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50574935 (CHEMBL4866182) Show SMILES CN[C@H](C)C(=O)N[C@@H](C(=O)N1C[C@H](C[C@H]1c1nc(cs1)C(=O)c1ccc(F)cc1)NC(=O)c1cnc(cn1)N1CCN(CCCOc2cc3ncnc(Nc4n[nH]c(C)c4C)c3cc2S(=O)(=O)C(C)(C)C)CC1)C(C)(C)C |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.158	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of full length His-tagged RIPK2 (unknown origin) expressed in baculovirus expression system using fluorescent labelled ATP competitive lig...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01118 BindingDB Entry DOI: 10.7270/Q2VD739F
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM303361 (US10138222, Example 76) Show SMILES CN1CCC(CC1)Nc1cncc(c1)-n1cc(cn1)-c1cc(ccc1C)C(=O)NC1CC1 Show InChI InChI=1S/C25H30N6O/c1-17-3-4-18(25(32)29-20-5-6-20)11-24(17)19-13-27-31(16-19)23-12-22(14-26-15-23)28-21-7-9-30(2)10-8-21/h3-4,11-16,20-21,28H,5-10H2,1-2H3,(H,29,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.610	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...				US Patent US10138222 (2018) BindingDB Entry DOI: 10.7270/Q2RV0QS2
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50597341 (CHEMBL5187454) Show SMILES N[C@H]1CC[C@H](CC1)n1cc(-c2ccc3OCOc3c2)c2c(N)ncnc12 |r,wU:4.7,1.0,(2.52,-7.5,;2.12,-6.01,;.63,-5.61,;.23,-4.12,;1.32,-3.03,;2.81,-3.43,;3.21,-4.92,;.92,-1.55,;1.83,-.3,;.92,.95,;1.32,2.43,;2.82,2.83,;3.21,4.32,;2.12,5.4,;2.2,6.94,;.76,7.5,;-.21,6.3,;.63,5.01,;.23,3.52,;-.54,.47,;-1.87,1.24,;-1.87,2.78,;-3.21,.47,;-3.21,-1.07,;-1.87,-1.84,;-.54,-1.07,)| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00604 BindingDB Entry DOI: 10.7270/Q2K93CK9
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM303364 (BDBM303369 | US10138222, Example 79) Show SMILES Cc1ccc(cc1-c1cnn(c1)-c1cncc(NC2CCN(CC2)C2COC2)c1)C(=O)NC1CC1 Show InChI InChI=1S/C27H32N6O2/c1-18-2-3-19(27(34)31-21-4-5-21)10-26(18)20-12-29-33(15-20)24-11-23(13-28-14-24)30-22-6-8-32(9-7-22)25-16-35-17-25/h2-3,10-15,21-22,25,30H,4-9,16-17H2,1H3,(H,31,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.810	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...				US Patent US10138222 (2018) BindingDB Entry DOI: 10.7270/Q2RV0QS2
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM303360 (US10138222, Example 75) Show SMILES Cc1cc(F)c(cc1-c1cnn(c1)-c1cncc(NC2CC3CCC(C2)N3C2COC2)c1)C(=O)NC1CC1 |TLB:18:19:22.23:26| Show InChI InChI=1S/C29H33FN6O2/c1-17-6-28(30)27(29(37)34-19-2-3-19)10-26(17)18-11-32-35(14-18)24-9-21(12-31-13-24)33-20-7-22-4-5-23(8-20)36(22)25-15-38-16-25/h6,9-14,19-20,22-23,25,33H,2-5,7-8,15-16H2,1H3,(H,34,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...				US Patent US10138222 (2018) BindingDB Entry DOI: 10.7270/Q2RV0QS2
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM303438 (US10138222, Example 166) Show SMILES Cc1ccc(cc1-c1cnn(c1)-c1cncc(NC2CCN(CC2)C2CCOC2)c1)C(=O)NC1CC1 Show InChI InChI=1S/C28H34N6O2/c1-19-2-3-20(28(35)32-22-4-5-22)12-27(19)21-14-30-34(17-21)26-13-24(15-29-16-26)31-23-6-9-33(10-7-23)25-8-11-36-18-25/h2-3,12-17,22-23,25,31H,4-11,18H2,1H3,(H,32,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.940	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...				US Patent US10138222 (2018) BindingDB Entry DOI: 10.7270/Q2RV0QS2
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM303440 (US10138222, Example 168) Show SMILES Cc1ccc(cc1-c1cnn(c1)-c1cncc(NC2CCN(CC3COCCO3)CC2)c1)C(=O)NC1CC1 Show InChI InChI=1S/C29H36N6O3/c1-20-2-3-21(29(36)33-23-4-5-23)12-28(20)22-14-31-35(17-22)26-13-25(15-30-16-26)32-24-6-8-34(9-7-24)18-27-19-37-10-11-38-27/h2-3,12-17,23-24,27,32H,4-11,18-19H2,1H3,(H,33,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.950	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...				US Patent US10138222 (2018) BindingDB Entry DOI: 10.7270/Q2RV0QS2
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM303823 (US10138241, Example 7 | US11130754, Example 7) Show SMILES CC(=O)Nc1ncc(s1)-n1cc(cn1)-c1cc(C(=O)NC2CC2)c(F)cc1Cl Show InChI InChI=1S/C18H15ClFN5O2S/c1-9(26)23-18-21-7-16(28-18)25-8-10(6-22-25)12-4-13(15(20)5-14(12)19)17(27)24-11-2-3-11/h4-8,11H,2-3H2,1H3,(H,24,27)(H,21,23,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.990	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...				US Patent US10138241 (2018) BindingDB Entry DOI: 10.7270/Q2VM4FBZ
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM303823 (US10138241, Example 7 | US11130754, Example 7) Show SMILES CC(=O)Nc1ncc(s1)-n1cc(cn1)-c1cc(C(=O)NC2CC2)c(F)cc1Cl Show InChI InChI=1S/C18H15ClFN5O2S/c1-9(26)23-18-21-7-16(28-18)25-8-10(6-22-25)12-4-13(15(20)5-14(12)19)17(27)24-11-2-3-11/h4-8,11H,2-3H2,1H3,(H,24,27)(H,21,23,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.990	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Method: In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2M61PD9
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM303380 (US10138222, Example 105) Show SMILES Cc1cc(F)c(cc1-c1cnn(c1)-c1cncc(c1)C1CC1)C(=O)NC1CC1 Show InChI InChI=1S/C22H21FN4O/c1-13-6-21(23)20(22(28)26-17-4-5-17)8-19(13)16-10-25-27(12-16)18-7-15(9-24-11-18)14-2-3-14/h6-12,14,17H,2-5H2,1H3,(H,26,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...				US Patent US10138222 (2018) BindingDB Entry DOI: 10.7270/Q2RV0QS2
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50322535 (3-(imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N...) Show SMILES CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3cnc4cccnn34)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C29H27F3N6O/c1-20-5-6-22(16-21(20)8-10-25-18-33-27-4-3-11-34-38(25)27)28(39)35-24-9-7-23(26(17-24)29(30,31)32)19-37-14-12-36(2)13-15-37/h3-7,9,11,16-18H,12-15,19H2,1-2H3,(H,35,39)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of recombinant human His-tagged RIPK2 (8 to 317 residues) incubated for 1 hr by ADP-Glo assay				J Med Chem 63: 1490-1510 (2020) Article DOI: 10.1021/acs.jmedchem.9b01317 BindingDB Entry DOI: 10.7270/Q20K2CZB
					More data for this Ligand-Target Pair				3D Structure (crystal)
Receptor-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM303439 (US10138222, Example 167) Show SMILES Cc1ccc(cc1-c1cnn(c1)-c1cncc(NC2CCN(CC3C4COCC34)CC2)c1)C(=O)NC1CC1 Show InChI InChI=1S/C30H36N6O2/c1-19-2-3-20(30(37)34-22-4-5-22)10-26(19)21-12-32-36(15-21)25-11-24(13-31-14-25)33-23-6-8-35(9-7-23)16-27-28-17-38-18-29(27)28/h2-3,10-15,22-23,27-29,33H,4-9,16-18H2,1H3,(H,34,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...				US Patent US10138222 (2018) BindingDB Entry DOI: 10.7270/Q2RV0QS2
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM303359 (US10138222, Example 74) Show SMILES COCCN1CCC(CC1)Nc1cncc(c1)-n1cc(cn1)-c1cc(C(=O)NC2CC2)c(F)cc1C Show InChI InChI=1S/C27H33FN6O2/c1-18-11-26(28)25(27(35)32-20-3-4-20)13-24(18)19-14-30-34(17-19)23-12-22(15-29-16-23)31-21-5-7-33(8-6-21)9-10-36-2/h11-17,20-21,31H,3-10H2,1-2H3,(H,32,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...				US Patent US10138222 (2018) BindingDB Entry DOI: 10.7270/Q2RV0QS2
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM303909 (N-Cyclopropyl-5-{1-[7-ethoxy-6-(4-fluoro-1-methyl-...) Show SMILES CCOc1cc2ncc(-n3cc(cn3)-c3cc(C(=O)NC4CC4)c(F)cc3C)n2cc1C1(F)CCN(C)CC1 Show InChI InChI=1S/C29H32F2N6O2/c1-4-39-25-13-26-32-15-27(36(26)17-23(25)29(31)7-9-35(3)10-8-29)37-16-19(14-33-37)21-12-22(24(30)11-18(21)2)28(38)34-20-5-6-20/h11-17,20H,4-10H2,1-3H3,(H,34,38)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Method: In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2M61PD9
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM303355 (US10138222, Example 68) Show SMILES Cc1cc(F)c(cc1-c1cnn(c1)-c1cncc(NC2CCN(CC2)C2COC2)c1)C(=O)NC1CC1 Show InChI InChI=1S/C27H31FN6O2/c1-17-8-26(28)25(27(35)32-19-2-3-19)10-24(17)18-11-30-34(14-18)22-9-21(12-29-13-22)31-20-4-6-33(7-5-20)23-15-36-16-23/h8-14,19-20,23,31H,2-7,15-16H2,1H3,(H,32,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...				US Patent US10138222 (2018) BindingDB Entry DOI: 10.7270/Q2RV0QS2
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM303362 (US10138222, Example 77) Show SMILES CN1CCC(CC1)Nc1cncc(c1)-n1cc(cn1)-c1cc(C(=O)NC2CC2)c(F)cc1C Show InChI InChI=1S/C25H29FN6O/c1-16-9-24(26)23(25(33)30-18-3-4-18)11-22(16)17-12-28-32(15-17)21-10-20(13-27-14-21)29-19-5-7-31(2)8-6-19/h9-15,18-19,29H,3-8H2,1-2H3,(H,30,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...				US Patent US10138222 (2018) BindingDB Entry DOI: 10.7270/Q2RV0QS2
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM303909 (N-Cyclopropyl-5-{1-[7-ethoxy-6-(4-fluoro-1-methyl-...) Show SMILES CCOc1cc2ncc(-n3cc(cn3)-c3cc(C(=O)NC4CC4)c(F)cc3C)n2cc1C1(F)CCN(C)CC1 Show InChI InChI=1S/C29H32F2N6O2/c1-4-39-25-13-26-32-15-27(36(26)17-23(25)29(31)7-9-35(3)10-8-29)37-16-19(14-33-37)21-12-22(24(30)11-18(21)2)28(38)34-20-5-6-20/h11-17,20H,4-10H2,1-3H3,(H,34,38)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...				US Patent US10138241 (2018) BindingDB Entry DOI: 10.7270/Q2VM4FBZ
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM303435 (US10138222, Example 163) Show SMILES COC1COCCC1N1CCC(CC1)Nc1cncc(c1)-n1cc(cn1)-c1cc(ccc1C)C(=O)NC1CC1 Show InChI InChI=1S/C30H38N6O3/c1-20-3-4-21(30(37)34-23-5-6-23)13-27(20)22-15-32-36(18-22)26-14-25(16-31-17-26)33-24-7-10-35(11-8-24)28-9-12-39-19-29(28)38-2/h3-4,13-18,23-24,28-29,33H,5-12,19H2,1-2H3,(H,34,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...				US Patent US10138222 (2018) BindingDB Entry DOI: 10.7270/Q2RV0QS2
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM303432 (US10138222, Example 160) Show SMILES COC1CCC(CC1)N1CCC(CC1)Nc1cncc(c1)-n1cc(cn1)-c1cc(ccc1C)C(=O)NC1CC1 |(-4.57,-12.55,;-5.66,-11.46,;-5.26,-9.97,;-6.35,-8.88,;-5.95,-7.39,;-4.46,-7,;-3.37,-8.09,;-3.77,-9.57,;-4.06,-5.51,;-5.15,-4.42,;-4.75,-2.93,;-3.27,-2.53,;-2.18,-3.62,;-2.58,-5.11,;-2.87,-1.05,;-1.38,-.65,;-.29,-1.74,;1.2,-1.34,;1.59,.15,;.51,1.24,;-.98,.84,;.9,2.73,;-0,3.97,;.9,5.22,;2.37,4.74,;2.37,3.2,;.51,6.7,;1.59,7.79,;1.2,9.28,;-.29,9.68,;-1.38,8.59,;-.98,7.1,;-2.07,6.01,;2.28,10.37,;1.89,11.86,;3.77,9.97,;4.86,11.06,;6.35,11.46,;5.26,12.55,)| Show InChI InChI=1S/C31H40N6O2/c1-21-3-4-22(31(38)35-24-5-6-24)15-30(21)23-17-33-37(20-23)28-16-26(18-32-19-28)34-25-11-13-36(14-12-25)27-7-9-29(39-2)10-8-27/h3-4,15-20,24-25,27,29,34H,5-14H2,1-2H3,(H,35,38)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...				US Patent US10138222 (2018) BindingDB Entry DOI: 10.7270/Q2RV0QS2
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM303430 (US10138222, Example 158) Show SMILES CC(=O)N1CCC(CC1)N1CCC(CC1)Nc1cncc(c1)-n1cc(cn1)-c1cc(ccc1C)C(=O)NC1CC1 Show InChI InChI=1S/C31H39N7O2/c1-21-3-4-23(31(40)35-25-5-6-25)15-30(21)24-17-33-38(20-24)29-16-27(18-32-19-29)34-26-7-11-37(12-8-26)28-9-13-36(14-10-28)22(2)39/h3-4,15-20,25-26,28,34H,5-14H2,1-2H3,(H,35,40)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...				US Patent US10138222 (2018) BindingDB Entry DOI: 10.7270/Q2RV0QS2
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM303437 (US10138222, Example 165) Show SMILES CC1CC(CCO1)N1CCC(CC1)Nc1cncc(c1)-n1cc(cn1)-c1cc(ccc1C)C(=O)NC1CC1 Show InChI InChI=1S/C30H38N6O2/c1-20-3-4-22(30(37)34-24-5-6-24)14-29(20)23-16-32-36(19-23)28-15-26(17-31-18-28)33-25-7-10-35(11-8-25)27-9-12-38-21(2)13-27/h3-4,14-19,21,24-25,27,33H,5-13H2,1-2H3,(H,34,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...				US Patent US10138222 (2018) BindingDB Entry DOI: 10.7270/Q2RV0QS2
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM303859 (US10138241, Example 45 | US11130754, Example 45) Show SMILES Cc1ccc(cc1-c1cnn(c1)-c1cnc(NC(=O)C2CC2)s1)C(=O)NC1CC1 Show InChI InChI=1S/C21H21N5O2S/c1-12-2-3-14(20(28)24-16-6-7-16)8-17(12)15-9-23-26(11-15)18-10-22-21(29-18)25-19(27)13-4-5-13/h2-3,8-11,13,16H,4-7H2,1H3,(H,24,28)(H,22,25,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...				US Patent US10138241 (2018) BindingDB Entry DOI: 10.7270/Q2VM4FBZ
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM303849 (US10138241, Example 35 | US11130754, Example 35) Show SMILES COc1cc2ncc(-n3cc(cn3)-c3cc(ccc3C)C(=O)NC3CC3)n2cc1S(=O)(=O)C(C)(C)C Show InChI InChI=1S/C26H29N5O4S/c1-16-6-7-17(25(32)29-19-8-9-19)10-20(16)18-12-28-31(14-18)24-13-27-23-11-21(35-5)22(15-30(23)24)36(33,34)26(2,3)4/h6-7,10-15,19H,8-9H2,1-5H3,(H,29,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...				US Patent US10138241 (2018) BindingDB Entry DOI: 10.7270/Q2VM4FBZ
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM303859 (US10138241, Example 45 | US11130754, Example 45) Show SMILES Cc1ccc(cc1-c1cnn(c1)-c1cnc(NC(=O)C2CC2)s1)C(=O)NC1CC1 Show InChI InChI=1S/C21H21N5O2S/c1-12-2-3-14(20(28)24-16-6-7-16)8-17(12)15-9-23-26(11-15)18-10-22-21(29-18)25-19(27)13-4-5-13/h2-3,8-11,13,16H,4-7H2,1H3,(H,24,28)(H,22,25,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Method: In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2M61PD9
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM303849 (US10138241, Example 35 | US11130754, Example 35) Show SMILES COc1cc2ncc(-n3cc(cn3)-c3cc(ccc3C)C(=O)NC3CC3)n2cc1S(=O)(=O)C(C)(C)C Show InChI InChI=1S/C26H29N5O4S/c1-16-6-7-17(25(32)29-19-8-9-19)10-20(16)18-12-28-31(14-18)24-13-27-23-11-21(35-5)22(15-30(23)24)36(33,34)26(2,3)4/h6-7,10-15,19H,8-9H2,1-5H3,(H,29,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Method: In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2M61PD9
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM303363 (US10138222, Example 78) Show SMILES Cc1ccc(cc1-c1cnn(c1)-c1cncc(NC2CCOCC2)c1)C(=O)NC1CC1 Show InChI InChI=1S/C24H27N5O2/c1-16-2-3-17(24(30)28-19-4-5-19)10-23(16)18-12-26-29(15-18)22-11-21(13-25-14-22)27-20-6-8-31-9-7-20/h2-3,10-15,19-20,27H,4-9H2,1H3,(H,28,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...				US Patent US10138222 (2018) BindingDB Entry DOI: 10.7270/Q2RV0QS2
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM303826 (US10138241, Example 10 | US11130754, Example 10) Show SMILES CC(C)(C)S(=O)(=O)c1ccc2ncc(-n3cc(cn3)-c3cc(C(=O)NC4CC4)c(F)cc3Cl)n2c1 Show InChI InChI=1S/C24H23ClFN5O3S/c1-24(2,3)35(33,34)16-6-7-21-27-11-22(30(21)13-16)31-12-14(10-28-31)17-8-18(20(26)9-19(17)25)23(32)29-15-4-5-15/h6-13,15H,4-5H2,1-3H3,(H,29,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...				US Patent US10138241 (2018) BindingDB Entry DOI: 10.7270/Q2VM4FBZ
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM303914 (N-Cyclopropyl-5-{1-[6-(1-ethyl-4-fluoro-piperidin-...) Show SMILES CCN1CCC(F)(CC1)c1cn2c(cnc2cc1OC)-n1cc(cn1)-c1cc(C(=O)NC2CC2)c(F)cc1C Show InChI InChI=1S/C29H32F2N6O2/c1-4-35-9-7-29(31,8-10-35)23-17-36-26(13-25(23)39-3)32-15-27(36)37-16-19(14-33-37)21-12-22(24(30)11-18(21)2)28(38)34-20-5-6-20/h11-17,20H,4-10H2,1-3H3,(H,34,38)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Method: In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2M61PD9
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM303441 (US10138222, Example 169) Show SMILES CN1CC[C@H](Nc2cncc(c2)-n2cc(cn2)-c2cc(C(=O)NC3CC3)c(F)cc2C)[C@H](F)C1 |r| Show InChI InChI=1S/C25H28F2N6O/c1-15-7-22(26)21(25(34)31-17-3-4-17)9-20(15)16-10-29-33(13-16)19-8-18(11-28-12-19)30-24-5-6-32(2)14-23(24)27/h7-13,17,23-24,30H,3-6,14H2,1-2H3,(H,31,34)/t23-,24+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...				US Patent US10138222 (2018) BindingDB Entry DOI: 10.7270/Q2RV0QS2
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM303914 (N-Cyclopropyl-5-{1-[6-(1-ethyl-4-fluoro-piperidin-...) Show SMILES CCN1CCC(F)(CC1)c1cn2c(cnc2cc1OC)-n1cc(cn1)-c1cc(C(=O)NC2CC2)c(F)cc1C Show InChI InChI=1S/C29H32F2N6O2/c1-4-35-9-7-29(31,8-10-35)23-17-36-26(13-25(23)39-3)32-15-27(36)37-16-19(14-33-37)21-12-22(24(30)11-18(21)2)28(38)34-20-5-6-20/h11-17,20H,4-10H2,1-3H3,(H,34,38)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...				US Patent US10138241 (2018) BindingDB Entry DOI: 10.7270/Q2VM4FBZ
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50467984 (CHEMBL4293287) Show SMILES COc1cc2nccc(Nc3n[nH]c(C)c3C)c2cc1S(=O)(=O)C(C)(C)C Show InChI InChI=1S/C19H24N4O3S/c1-11-12(2)22-23-18(11)21-14-7-8-20-15-10-16(26-6)17(9-13(14)15)27(24,25)19(3,4)5/h7-10H,1-6H3,(H2,20,21,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of full length His/flag-tagged RIPK2 (unknown origin) expressed in baculovirus expression system using fluorescently labeled substrate inc...				ACS Med Chem Lett 9: 1039-1044 (2018) Article DOI: 10.1021/acsmedchemlett.8b00344 BindingDB Entry DOI: 10.7270/Q25D8VJV
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM303826 (US10138241, Example 10 | US11130754, Example 10) Show SMILES CC(C)(C)S(=O)(=O)c1ccc2ncc(-n3cc(cn3)-c3cc(C(=O)NC4CC4)c(F)cc3Cl)n2c1 Show InChI InChI=1S/C24H23ClFN5O3S/c1-24(2,3)35(33,34)16-6-7-21-27-11-22(30(21)13-16)31-12-14(10-28-31)17-8-18(20(26)9-19(17)25)23(32)29-15-4-5-15/h6-13,15H,4-5H2,1-3H3,(H,29,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Method: In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2M61PD9
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM303911 (N-Cyclopropyl-2-fluoro-4-methyl-5-{1-[6-((R)-1-met...) Show SMILES CN1CC[C@@H](C1)c1ccc2ncc(-n3cc(cn3)-c3cc(C(=O)NC4CC4)c(F)cc3C)n2c1 |r| Show InChI InChI=1S/C26H27FN6O/c1-16-9-23(27)22(26(34)30-20-4-5-20)10-21(16)19-11-29-33(15-19)25-12-28-24-6-3-17(14-32(24)25)18-7-8-31(2)13-18/h3,6,9-12,14-15,18,20H,4-5,7-8,13H2,1-2H3,(H,30,34)/t18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Method: In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2M61PD9
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM303907 (N-Cyclopropyl-2-fluoro-5-{1-[6-(4-fluoro-1-methylp...) Show SMILES COc1cc2ncc(-n3cc(cn3)-c3cc(C(=O)NC4CC4)c(F)cc3C)n2cc1C1(F)CCN(C)CC1 Show InChI InChI=1S/C28H30F2N6O2/c1-17-10-23(29)21(27(37)33-19-4-5-19)11-20(17)18-13-32-36(15-18)26-14-31-25-12-24(38-3)22(16-35(25)26)28(30)6-8-34(2)9-7-28/h10-16,19H,4-9H2,1-3H3,(H,33,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Method: In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2M61PD9
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM303887 (US10138241, Example 75 | US11130754, Example 75) Show SMILES Cc1cc(F)c(cc1-c1cnn(c1)-c1cnc2ccc(cn12)C(C)(C)O)C(=O)NC1CC1 Show InChI InChI=1S/C24H24FN5O2/c1-14-8-20(25)19(23(31)28-17-5-6-17)9-18(14)15-10-27-30(12-15)22-11-26-21-7-4-16(13-29(21)22)24(2,3)32/h4,7-13,17,32H,5-6H2,1-3H3,(H,28,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Method: In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2M61PD9
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM303364 (BDBM303369 | US10138222, Example 79) Show SMILES Cc1ccc(cc1-c1cnn(c1)-c1cncc(NC2CCN(CC2)C2COC2)c1)C(=O)NC1CC1 Show InChI InChI=1S/C27H32N6O2/c1-18-2-3-19(27(34)31-21-4-5-21)10-26(18)20-12-29-33(15-20)24-11-23(13-28-14-24)30-22-6-8-32(9-7-22)25-16-35-17-25/h2-3,10-15,21-22,25,30H,4-9,16-17H2,1H3,(H,31,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...				US Patent US10138222 (2018) BindingDB Entry DOI: 10.7270/Q2RV0QS2
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM303911 (N-Cyclopropyl-2-fluoro-4-methyl-5-{1-[6-((R)-1-met...) Show SMILES CN1CC[C@@H](C1)c1ccc2ncc(-n3cc(cn3)-c3cc(C(=O)NC4CC4)c(F)cc3C)n2c1 |r| Show InChI InChI=1S/C26H27FN6O/c1-16-9-23(27)22(26(34)30-20-4-5-20)10-21(16)19-11-29-33(15-19)25-12-28-24-6-3-17(14-32(24)25)18-7-8-31(2)13-18/h3,6,9-12,14-15,18,20H,4-5,7-8,13H2,1-2H3,(H,30,34)/t18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...				US Patent US10138241 (2018) BindingDB Entry DOI: 10.7270/Q2VM4FBZ
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM303907 (N-Cyclopropyl-2-fluoro-5-{1-[6-(4-fluoro-1-methylp...) Show SMILES COc1cc2ncc(-n3cc(cn3)-c3cc(C(=O)NC4CC4)c(F)cc3C)n2cc1C1(F)CCN(C)CC1 Show InChI InChI=1S/C28H30F2N6O2/c1-17-10-23(29)21(27(37)33-19-4-5-19)11-20(17)18-13-32-36(15-18)26-14-31-25-12-24(38-3)22(16-35(25)26)28(30)6-8-34(2)9-7-28/h10-16,19H,4-9H2,1-3H3,(H,33,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...				US Patent US10138241 (2018) BindingDB Entry DOI: 10.7270/Q2VM4FBZ
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM303887 (US10138241, Example 75 | US11130754, Example 75) Show SMILES Cc1cc(F)c(cc1-c1cnn(c1)-c1cnc2ccc(cn12)C(C)(C)O)C(=O)NC1CC1 Show InChI InChI=1S/C24H24FN5O2/c1-14-8-20(25)19(23(31)28-17-5-6-17)9-18(14)15-10-27-30(12-15)22-11-26-21-7-4-16(13-29(21)22)24(2,3)32/h4,7-13,17,32H,5-6H2,1-3H3,(H,28,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...				US Patent US10138241 (2018) BindingDB Entry DOI: 10.7270/Q2VM4FBZ
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM303443 (US10138222, Example 171) Show SMILES CN(C)C1CCN(CC1)c1cncc(c1)-n1cc(cn1)-c1cc(C(=O)NC2CC2)c(F)cc1C Show InChI InChI=1S/C26H31FN6O/c1-17-10-25(27)24(26(34)30-19-4-5-19)12-23(17)18-13-29-33(16-18)22-11-21(14-28-15-22)32-8-6-20(7-9-32)31(2)3/h10-16,19-20H,4-9H2,1-3H3,(H,30,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...				US Patent US10138222 (2018) BindingDB Entry DOI: 10.7270/Q2RV0QS2
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM303433 (US10138222, Example 161) Show SMILES Cc1ccc(cc1-c1cnn(c1)-c1cncc(NC2CCN(CC2)C2CCCOC2)c1)C(=O)NC1CC1 Show InChI InChI=1S/C29H36N6O2/c1-20-4-5-21(29(36)33-23-6-7-23)13-28(20)22-15-31-35(18-22)27-14-25(16-30-17-27)32-24-8-10-34(11-9-24)26-3-2-12-37-19-26/h4-5,13-18,23-24,26,32H,2-3,6-12,19H2,1H3,(H,33,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...				US Patent US10138222 (2018) BindingDB Entry DOI: 10.7270/Q2RV0QS2
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM303906 (N-Cyclopropyl-5-{1-[6-(1-dimethylcarbamoylmethyl-p...) Show SMILES CN(C)C(=O)CN1CCC(CC1)c1ccc2ncc(-n3cc(cn3)-c3cc(C(=O)NC4CC4)c(F)cc3C)n2c1 Show InChI InChI=1S/C30H34FN7O2/c1-19-12-26(31)25(30(40)34-23-5-6-23)13-24(19)22-14-33-38(17-22)28-15-32-27-7-4-21(16-37(27)28)20-8-10-36(11-9-20)18-29(39)35(2)3/h4,7,12-17,20,23H,5-6,8-11,18H2,1-3H3,(H,34,40)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...				US Patent US10138241 (2018) BindingDB Entry DOI: 10.7270/Q2VM4FBZ
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM303448 (US10138222, Example 176) Show SMILES CN1CC[C@@H](Nc2cncc(c2)-n2cc(cn2)-c2cc(C(=O)NC3CC3)c(F)cc2C)C(F)(F)C1 |r| Show InChI InChI=1S/C25H27F3N6O/c1-15-7-22(26)21(24(35)32-17-3-4-17)9-20(15)16-10-30-34(13-16)19-8-18(11-29-12-19)31-23-5-6-33(2)14-25(23,27)28/h7-13,17,23,31H,3-6,14H2,1-2H3,(H,32,35)/t23-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...				US Patent US10138222 (2018) BindingDB Entry DOI: 10.7270/Q2RV0QS2
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM303367 (US10138222, Example 92) Show SMILES Cc1ccc(cc1-c1cnn(c1)-c1cncc(NC2CCNCC2)c1)C(=O)NC1CC1 Show InChI InChI=1S/C24H28N6O/c1-16-2-3-17(24(31)29-19-4-5-19)10-23(16)18-12-27-30(15-18)22-11-21(13-26-14-22)28-20-6-8-25-9-7-20/h2-3,10-15,19-20,25,28H,4-9H2,1H3,(H,29,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...				US Patent US10138222 (2018) BindingDB Entry DOI: 10.7270/Q2RV0QS2
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM303446 (US10138222, Example 174) Show SMILES Cc1cc(F)c(cc1-c1cnn(c1)-c1cncc(NC2CCN(CCF)CC2)c1)C(=O)NC1CC1 Show InChI InChI=1S/C26H30F2N6O/c1-17-10-25(28)24(26(35)32-19-2-3-19)12-23(17)18-13-30-34(16-18)22-11-21(14-29-15-22)31-20-4-7-33(8-5-20)9-6-27/h10-16,19-20,31H,2-9H2,1H3,(H,32,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...				US Patent US10138222 (2018) BindingDB Entry DOI: 10.7270/Q2RV0QS2
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM303906 (N-Cyclopropyl-5-{1-[6-(1-dimethylcarbamoylmethyl-p...) Show SMILES CN(C)C(=O)CN1CCC(CC1)c1ccc2ncc(-n3cc(cn3)-c3cc(C(=O)NC4CC4)c(F)cc3C)n2c1 Show InChI InChI=1S/C30H34FN7O2/c1-19-12-26(31)25(30(40)34-23-5-6-23)13-24(19)22-14-33-38(17-22)28-15-32-27-7-4-21(16-37(27)28)20-8-10-36(11-9-20)18-29(39)35(2)3/h4,7,12-17,20,23H,5-6,8-11,18H2,1-3H3,(H,34,40)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Method: In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2M61PD9
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM303368 (US10138222, Example 93) Show SMILES Cc1ccc(cc1-c1cnn(c1)-c1cncc(NC2CCN(CC2)C2CCC2)c1)C(=O)NC1CC1 Show InChI InChI=1S/C28H34N6O/c1-19-5-6-20(28(35)32-22-7-8-22)13-27(19)21-15-30-34(18-21)26-14-24(16-29-17-26)31-23-9-11-33(12-10-23)25-3-2-4-25/h5-6,13-18,22-23,25,31H,2-4,7-12H2,1H3,(H,32,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15...				US Patent US10138222 (2018) BindingDB Entry DOI: 10.7270/Q2RV0QS2
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50597338 (CHEMBL5195615) Show SMILES N[C@H]1CC[C@H](CC1)n1cc(-c2ccc(F)cc2)c2c(N)ncnc12 |r,wU:4.7,1.0,(2.52,-7.19,;2.12,-5.71,;.63,-5.31,;.23,-3.82,;1.32,-2.73,;2.81,-3.13,;3.21,-4.62,;.92,-1.24,;1.83,0,;.92,1.25,;1.32,2.74,;.23,3.82,;.63,5.31,;2.12,5.71,;2.52,7.19,;3.21,4.62,;2.82,3.14,;-.54,.77,;-1.87,1.54,;-1.87,3.08,;-3.21,.77,;-3.21,-.77,;-1.87,-1.54,;-.54,-.77,)| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00604 BindingDB Entry DOI: 10.7270/Q2K93CK9
					More data for this Ligand-Target Pair

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