Compile Data Set for Download or QSAR

Found 908 hits with Last Name = 'favata' and Initial = 'm'   

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
Parathyroid hormone/parathyroid hormone-related peptide receptor (Homo sapiens (Human))	BDBM50269976 (Aib-Val-Aib-Glu-lle-Gln-Leu-Nle-His-Gln-Arg-Ala-Ly...) Show SMILES CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)C(C)(C)NC(=O)[C@@H](NC(=O)C(C)(C)N)C(C)C)[C@@H](C)CC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r,wU:81.81,25.25,62.61,8.12,97.97,wD:16.21,92.93,72.72,55.55,106.106,4.4,44.44,29.34,(16.82,-7.68,;15.49,-6.94,;15.46,-5.4,;14.12,-4.66,;14.1,-3.13,;12.8,-2.32,;11.44,-3.04,;11.45,-4.59,;10.17,-2.17,;10.17,-.63,;11.5,.14,;11.51,1.68,;12.83,-.63,;8.95,-3.07,;7.59,-2.35,;7.59,-.8,;6.31,-3.21,;6.31,-4.76,;7.65,-5.53,;7.65,-7.06,;6.32,-7.84,;8.98,-7.84,;5.11,-2.32,;3.74,-3.06,;3.75,-4.6,;2.46,-2.19,;1.25,-3.09,;-.11,-2.37,;-.1,-.82,;-1.38,-3.23,;-1.38,-4.77,;-.05,-5.55,;-.05,-7.08,;-1.38,-7.86,;1.29,-7.86,;-2.59,-2.34,;-3.95,-3.07,;-3.94,-4.61,;-5.22,-2.2,;-4.41,-.9,;-6.06,-3.48,;-6.53,-1.45,;-6.57,.09,;-5.22,.85,;-7.96,.78,;-7.96,2.28,;-9.35,2.94,;-10.59,2.02,;-9.36,4.47,;-7.82,4.49,;-10.89,4.45,;-9.38,6.01,;-9.3,.01,;-9.31,-1.52,;-10.63,.79,;2.46,-.65,;3.8,.13,;1.13,.13,;1.11,1.67,;15.29,-2.34,;15.3,-.79,;16.65,-3.07,;17.87,-2.18,;17.87,-.63,;19.2,.14,;20.67,-.35,;21.59,.88,;20.7,2.14,;19.22,1.68,;19.15,-3.04,;19.16,-4.59,;20.51,-2.32,;21.72,-3.21,;21.73,-4.75,;23.05,-5.53,;23.05,-7.06,;21.73,-7.83,;24.4,-7.83,;23,-2.34,;23.01,-.79,;24.37,-3.07,;25.59,-2.18,;25.59,-.64,;26.92,.14,;26.93,1.68,;28.25,2.44,;28.25,3.97,;29.58,4.74,;26.93,4.74,;26.86,-3.05,;26.87,-4.59,;28.22,-2.32,;29.43,-3.21,;29.43,-4.76,;30.71,-2.35,;30.72,-.8,;32.08,-3.08,;33.29,-2.19,;33.3,-.64,;34.63,.13,;34.63,1.67,;35.96,2.44,;35.96,3.98,;34.58,-3.05,;34.58,-4.6,;35.93,-2.31,;37.28,-3.05,;37.31,-4.58,;38.65,-5.32,;38.67,-6.85,;40.01,-7.59,;41.33,-6.8,;42.67,-7.53,;41.29,-5.26,;39.95,-4.53,;38.59,-2.26,;39.93,-2.99,;38.56,-.72,)| Show InChI InChI=1S/C76H127N23O19/c1-13-15-19-46(90-68(113)53(34-39(3)4)94-66(111)50(27-30-56(79)102)92-70(115)59(41(7)14-2)97-67(112)51(28-31-57(103)104)96-73(118)76(11,12)99-71(116)58(40(5)6)98-72(117)75(9,10)83)64(109)95-54(36-44-37-84-38-86-44)69(114)91-49(26-29-55(78)101)65(110)89-48(21-18-33-85-74(81)82)62(107)87-42(8)61(106)88-47(20-16-17-32-77)63(108)93-52(60(80)105)35-43-22-24-45(100)25-23-43/h22-25,37-42,46-54,58-59,100H,13-21,26-36,77,83H2,1-12H3,(H2,78,101)(H2,79,102)(H2,80,105)(H,84,86)(H,87,107)(H,88,106)(H,89,110)(H,90,113)(H,91,114)(H,92,115)(H,93,108)(H,94,111)(H,95,109)(H,96,118)(H,97,112)(H,98,117)(H,99,116)(H,103,104)(H4,81,82,85)/t41-,42-,46-,47-,48-,49-,50-,51-,52-,53-,54-,58-,59-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.87	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Displacement of [125I]DPC-AJ1951 from PTH/PTH-related peptide receptor (unknown origin) expressed in HKRK-B28 cells				Proc Natl Acad Sci U S A 104: 6846-51 (2007) Article DOI: 10.1073/pnas.0605125104 BindingDB Entry DOI: 10.7270/Q28P608V
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50141397 (4-({3-[(Z)-2-Amino-2-(2-amino-phenylsulfanyl)-1-cy...) Show SMILES Nc1ccccc1SC(=N)C(C#N)c1cccc(c1)C(O)c1ccc(cc1)C#N Show InChI InChI=1S/C23H18N4OS/c24-13-15-8-10-16(11-9-15)22(28)18-5-3-4-17(12-18)19(14-25)23(27)29-21-7-2-1-6-20(21)26/h1-12,19,22,27-28H,26H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceuticals Research Institute Curated by ChEMBL					Assay Description Inhibitory potency against mitogen activated protein kinase kinase kinase 1				Bioorg Med Chem Lett 14: 1483-6 (2004) Article DOI: 10.1016/j.bmcl.2004.01.012 BindingDB Entry DOI: 10.7270/Q2H131F0
					More data for this Ligand-Target Pair
Parathyroid hormone/parathyroid hormone-related peptide receptor (Homo sapiens (Human))	BDBM50269975 (Aib-Val-Aib-Glu-lle-Gln-Leu-Nle-His-Gln-Har-Ala-Ly...) Show SMILES CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)C(C)(C)NC(=O)[C@@H](NC(=O)C(C)(C)N)C(C)C)[C@@H](C)CC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN=C(N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r,wU:81.81,25.25,62.61,8.12,98.98,wD:16.21,93.94,72.72,55.55,107.107,4.4,44.44,29.34,(18.87,-52.12,;17.53,-51.38,;17.51,-49.85,;16.17,-49.1,;16.14,-47.57,;14.85,-46.76,;13.48,-47.48,;13.49,-49.03,;12.21,-46.62,;12.21,-45.07,;13.55,-44.3,;13.55,-42.76,;14.87,-45.07,;10.99,-47.51,;9.63,-46.79,;9.63,-45.24,;8.36,-47.66,;8.36,-49.2,;9.69,-49.97,;9.69,-51.5,;8.36,-52.28,;11.02,-52.28,;7.15,-46.77,;5.78,-47.5,;5.79,-49.05,;4.5,-46.63,;3.29,-47.53,;1.94,-46.81,;1.94,-45.26,;.66,-47.67,;.66,-49.22,;1.99,-49.99,;1.99,-51.52,;.67,-52.3,;3.33,-52.3,;-.55,-46.78,;-1.91,-47.51,;-1.9,-49.05,;-3.18,-46.64,;-2.37,-45.34,;-4.02,-47.92,;-4.49,-45.89,;-4.52,-44.35,;-3.18,-43.6,;-5.92,-43.66,;-5.92,-42.16,;-7.31,-41.5,;-8.55,-42.43,;-7.31,-39.97,;-5.78,-39.96,;-8.85,-39.99,;-7.34,-38.44,;-7.26,-44.43,;-7.27,-45.97,;-8.58,-43.65,;4.5,-45.09,;5.84,-44.32,;3.17,-44.32,;3.16,-42.77,;17.33,-46.78,;17.34,-45.23,;18.7,-47.51,;19.91,-46.62,;19.91,-45.08,;21.25,-44.3,;22.72,-44.8,;23.63,-43.56,;22.74,-42.3,;21.26,-42.76,;21.19,-47.49,;21.2,-49.03,;22.55,-46.76,;23.77,-47.65,;23.77,-49.19,;25.09,-49.97,;25.1,-51.5,;23.77,-52.27,;26.44,-52.27,;25.05,-46.78,;25.05,-45.24,;26.42,-47.51,;27.63,-46.62,;27.63,-45.08,;28.97,-44.31,;28.97,-42.77,;30.3,-42,;30.3,-40.47,;31.62,-39.7,;31.62,-38.17,;32.95,-40.47,;28.9,-47.49,;28.91,-49.04,;30.27,-46.77,;31.47,-47.66,;31.47,-49.2,;32.75,-46.79,;32.76,-45.24,;34.12,-47.52,;35.34,-46.63,;35.34,-45.09,;36.67,-44.31,;36.67,-42.77,;38,-42.01,;38,-40.47,;36.62,-47.5,;36.62,-49.04,;37.98,-46.76,;39.32,-47.49,;39.35,-49.03,;40.69,-49.76,;40.72,-51.29,;42.06,-52.03,;43.37,-51.24,;44.71,-51.97,;43.33,-49.7,;41.99,-48.97,;40.63,-46.7,;41.97,-47.43,;40.6,-45.17,)| Show InChI InChI=1S/C77H129N23O19/c1-13-15-20-47(91-69(114)54(35-40(3)4)95-67(112)51(28-31-57(80)103)93-71(116)60(42(7)14-2)98-68(113)52(29-32-58(104)105)97-74(119)77(11,12)100-72(117)59(41(5)6)99-73(118)76(9,10)84)65(110)96-55(37-45-38-85-39-87-45)70(115)92-50(27-30-56(79)102)66(111)90-48(22-17-19-34-86-75(82)83)63(108)88-43(8)62(107)89-49(21-16-18-33-78)64(109)94-53(61(81)106)36-44-23-25-46(101)26-24-44/h23-26,38-43,47-55,59-60,101H,13-22,27-37,78,84H2,1-12H3,(H2,79,102)(H2,80,103)(H2,81,106)(H,85,87)(H,88,108)(H,89,107)(H,90,111)(H,91,114)(H,92,115)(H,93,116)(H,94,109)(H,95,112)(H,96,110)(H,97,119)(H,98,113)(H,99,118)(H,100,117)(H,104,105)(H4,82,83,86)/t42-,43-,47-,48-,49-,50-,51-,52-,53-,54-,55-,59-,60-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.20	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Displacement of [125I]DPC-AJ1951 from PTH/PTH-related peptide receptor (unknown origin) expressed in HKRK-B28 cells				Proc Natl Acad Sci U S A 104: 6846-51 (2007) Article DOI: 10.1073/pnas.0605125104 BindingDB Entry DOI: 10.7270/Q28P608V
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50141438 (4-({3-[(Z)-2-Amino-1-cyano-2-(2-hydroxy-phenylsulf...) Show SMILES OC(c1ccc(cc1)C#N)c1cccc(c1)C(C#N)C(=N)Sc1ccccc1O Show InChI InChI=1S/C23H17N3O2S/c24-13-15-8-10-16(11-9-15)22(28)18-5-3-4-17(12-18)19(14-25)23(26)29-21-7-2-1-6-20(21)27/h1-12,19,22,26-28H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceuticals Research Institute Curated by ChEMBL					Assay Description Inhibitory potency against mitogen activated protein kinase kinase kinase 1				Bioorg Med Chem Lett 14: 1483-6 (2004) Article DOI: 10.1016/j.bmcl.2004.01.012 BindingDB Entry DOI: 10.7270/Q2H131F0
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50141412 ((Z)-3-Amino-3-(2-amino-phenylsulfanyl)-2-{3-[hydro...) Show SMILES Nc1ccccc1SC(=[NH2+])C(=C=[N-])c1cccc(c1)C(O)c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C22H17N4O3S/c23-13-18(22(25)30-20-7-2-1-6-19(20)24)15-4-3-5-16(12-15)21(27)14-8-10-17(11-9-14)26(28)29/h1-12,21,25,27H,24H2/q-1/p+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceuticals Research Institute Curated by ChEMBL					Assay Description Inhibitory potency against mitogen activated protein kinase kinase kinase 1				Bioorg Med Chem Lett 14: 1483-6 (2004) Article DOI: 10.1016/j.bmcl.2004.01.012 BindingDB Entry DOI: 10.7270/Q2H131F0
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50141406 ((Z)-3-Amino-3-(2-amino-phenylsulfanyl)-2-{3-[(2,4-...) Show SMILES Nc1ccccc1SC(=[NH2+])C(=C=[N-])c1cccc(c1)C(O)c1ccc(cc1[N+]([O-])=O)[N+]([O-])=O Show InChI InChI=1S/C22H16N5O5S/c23-12-17(22(25)33-20-7-2-1-6-18(20)24)13-4-3-5-14(10-13)21(28)16-9-8-15(26(29)30)11-19(16)27(31)32/h1-11,21,25,28H,24H2/q-1/p+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceuticals Research Institute Curated by ChEMBL					Assay Description Inhibitory potency against mitogen activated protein kinase kinase kinase 1				Bioorg Med Chem Lett 14: 1483-6 (2004) Article DOI: 10.1016/j.bmcl.2004.01.012 BindingDB Entry DOI: 10.7270/Q2H131F0
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50141410 ((Z)-3-Amino-3-(2-amino-phenylsulfanyl)-2-[3-(hydro...) Show SMILES Nc1ccccc1SC(=N)C(C#N)c1cccc(c1)C(O)c1ccncc1 Show InChI InChI=1S/C21H18N4OS/c22-13-17(21(24)27-19-7-2-1-6-18(19)23)15-4-3-5-16(12-15)20(26)14-8-10-25-11-9-14/h1-12,17,20,24,26H,23H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceuticals Research Institute Curated by ChEMBL					Assay Description Inhibitory potency against mitogen activated protein kinase kinase kinase 1				Bioorg Med Chem Lett 14: 1483-6 (2004) Article DOI: 10.1016/j.bmcl.2004.01.012 BindingDB Entry DOI: 10.7270/Q2H131F0
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50141441 (3-({3-[(Z)-2-Amino-2-(2-amino-phenylsulfanyl)-1-cy...) Show SMILES Nc1ccccc1SC(=N)C(C#N)c1cccc(c1)C(O)c1cccc(c1)C#N Show InChI InChI=1S/C23H18N4OS/c24-13-15-5-3-7-17(11-15)22(28)18-8-4-6-16(12-18)19(14-25)23(27)29-21-10-2-1-9-20(21)26/h1-12,19,22,27-28H,26H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceuticals Research Institute Curated by ChEMBL					Assay Description Inhibitory potency against mitogen activated protein kinase kinase kinase 1				Bioorg Med Chem Lett 14: 1483-6 (2004) Article DOI: 10.1016/j.bmcl.2004.01.012 BindingDB Entry DOI: 10.7270/Q2H131F0
					More data for this Ligand-Target Pair
Parathyroid hormone/parathyroid hormone-related peptide receptor (Homo sapiens (Human))	BDBM50269978 (Aib-Val-Aib-Glu-lle-Gln-Leu-Nle-His-Gln-Arg-Ala-Fl...) Show SMILES CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)C(C)(C)NC(=O)[C@@H](NC(=O)C(C)(C)N)C(C)C)[C@@H](C)CC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCNC(=O)c1ccccc1-c1c2ccc(O)cc2oc2cc(=O)ccc12)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r,wU:62.61,8.12,81.81,97.97,25.25,wD:55.55,44.44,4.4,29.34,92.93,72.72,130.134,16.21,(17.08,-55.29,;15.74,-54.54,;15.72,-53,;14.37,-52.25,;14.35,-50.72,;13.05,-49.9,;11.68,-50.63,;11.69,-52.18,;10.41,-49.76,;10.41,-48.21,;11.75,-47.44,;11.75,-45.89,;13.08,-48.22,;9.18,-50.66,;7.82,-49.93,;7.82,-48.38,;6.54,-50.81,;6.54,-52.35,;7.88,-53.13,;7.88,-54.66,;6.54,-55.44,;9.21,-55.44,;5.33,-49.91,;3.96,-50.65,;3.97,-52.2,;2.68,-49.78,;1.46,-50.68,;.1,-49.96,;.11,-48.4,;-1.17,-50.82,;-1.17,-52.37,;.16,-53.14,;.16,-54.68,;-1.17,-55.47,;1.5,-55.47,;-2.39,-49.93,;-3.75,-50.66,;-3.74,-52.21,;-5.02,-49.78,;-4.21,-48.48,;-5.88,-51.07,;-6.33,-49.03,;-6.37,-47.49,;-5.03,-46.73,;-7.78,-46.8,;-7.77,-45.29,;-9.18,-44.63,;-10.4,-45.56,;-9.17,-43.1,;-7.63,-43.08,;-10.7,-43.12,;-9.19,-41.56,;-9.11,-47.57,;-9.14,-49.11,;-10.44,-46.79,;2.68,-48.23,;4.02,-47.46,;1.34,-47.45,;1.33,-45.91,;15.54,-49.93,;15.55,-48.38,;16.91,-50.66,;18.13,-49.76,;18.13,-48.22,;19.47,-47.44,;20.94,-47.94,;21.86,-46.7,;20.97,-45.43,;19.48,-45.89,;19.42,-50.64,;19.42,-52.19,;20.78,-49.91,;22,-50.8,;22,-52.35,;23.33,-53.12,;23.33,-54.66,;22,-55.44,;24.68,-55.43,;23.28,-49.93,;23.29,-48.38,;24.65,-50.66,;25.87,-49.77,;25.87,-48.22,;27.21,-47.45,;27.21,-45.9,;28.54,-45.13,;28.54,-43.6,;29.87,-42.83,;27.21,-42.83,;27.15,-50.64,;27.15,-52.19,;28.51,-49.91,;29.72,-50.81,;29.73,-52.35,;31.01,-49.93,;31.01,-48.38,;32.36,-50.66,;33.68,-49.87,;33.68,-48.34,;32.34,-47.58,;32.33,-46.04,;31,-45.28,;30.97,-43.74,;32.28,-42.95,;33.63,-43.7,;32.25,-41.42,;30.72,-41.45,;29.92,-40.13,;30.67,-38.78,;32.2,-38.76,;32.99,-40.08,;34.52,-40.06,;35.27,-38.71,;34.48,-37.39,;35.23,-36.05,;36.77,-36.03,;37.52,-34.69,;37.56,-37.34,;36.82,-38.69,;37.62,-40.01,;36.85,-41.36,;37.65,-42.68,;36.89,-44.03,;37.67,-45.35,;35.35,-44.05,;34.56,-42.72,;35.31,-41.38,;35.02,-50.64,;35.03,-52.17,;36.35,-49.86,;37.68,-50.62,;37.69,-52.15,;39.03,-52.92,;39.02,-54.45,;40.36,-55.21,;41.69,-54.44,;43.02,-55.2,;41.67,-52.89,;40.34,-52.14,;39.01,-49.84,;40.34,-50.6,;39,-48.31,)| Show InChI InChI=1S/C96H137N23O23/c1-13-15-23-62(110-88(136)69(42-49(3)4)114-86(134)66(35-38-74(98)124)112-90(138)78(51(7)14-2)117-87(135)67(36-39-75(125)126)116-93(141)96(11,12)119-91(139)77(50(5)6)118-92(140)95(9,10)102)84(132)115-70(44-54-47-103-48-106-54)89(137)111-65(34-37-73(97)123)85(133)109-64(25-20-41-105-94(100)101)82(130)107-52(8)80(128)108-63(83(131)113-68(79(99)127)43-53-26-28-55(120)29-27-53)24-18-19-40-104-81(129)59-22-17-16-21-58(59)76-60-32-30-56(121)45-71(60)142-72-46-57(122)31-33-61(72)76/h16-17,21-22,26-33,45-52,62-70,77-78,120-121H,13-15,18-20,23-25,34-44,102H2,1-12H3,(H2,97,123)(H2,98,124)(H2,99,127)(H,103,106)(H,104,129)(H,107,130)(H,108,128)(H,109,133)(H,110,136)(H,111,137)(H,112,138)(H,113,131)(H,114,134)(H,115,132)(H,116,141)(H,117,135)(H,118,140)(H,119,139)(H,125,126)(H4,100,101,105)/t51-,52-,62-,63-,64-,65-,66-,67-,68-,69-,70-,77-,78-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13.5	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Displacement of [125I]DPC-AJ1951 from PTH/PTH-related peptide receptor (unknown origin) expressed in HKRK-B28 cells				Proc Natl Acad Sci U S A 104: 6846-51 (2007) Article DOI: 10.1073/pnas.0605125104 BindingDB Entry DOI: 10.7270/Q28P608V
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50141404 (4-({3-[(Z)-2-Amino-2-(2-amino-phenylsulfanyl)-1-cy...) Show SMILES COC(=O)c1ccc(cc1)C(O)c1cccc(c1)C(C#N)C(=N)Sc1ccccc1N Show InChI InChI=1S/C24H21N3O3S/c1-30-24(29)16-11-9-15(10-12-16)22(28)18-6-4-5-17(13-18)19(14-25)23(27)31-21-8-3-2-7-20(21)26/h2-13,19,22,27-28H,26H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceuticals Research Institute Curated by ChEMBL					Assay Description Inhibitory potency against mitogen activated protein kinase kinase kinase 1				Bioorg Med Chem Lett 14: 1483-6 (2004) Article DOI: 10.1016/j.bmcl.2004.01.012 BindingDB Entry DOI: 10.7270/Q2H131F0
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50141426 ((Z)-3-Amino-3-(2-amino-phenylsulfanyl)-2-[3-(hydro...) Show SMILES Nc1ccccc1SC(=N)C(C#N)c1cccc(c1)C(O)c1cccs1 Show InChI InChI=1S/C20H17N3OS2/c21-12-15(20(23)26-17-8-2-1-7-16(17)22)13-5-3-6-14(11-13)19(24)18-9-4-10-25-18/h1-11,15,19,23-24H,22H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceuticals Research Institute Curated by ChEMBL					Assay Description Inhibitory potency against mitogen activated protein kinase kinase kinase 1				Bioorg Med Chem Lett 14: 1483-6 (2004) Article DOI: 10.1016/j.bmcl.2004.01.012 BindingDB Entry DOI: 10.7270/Q2H131F0
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50141400 ((Z)-3-Amino-3-(2-amino-phenylsulfanyl)-2-{3-[hydro...) Show SMILES Nc1ccccc1SC(=[NH2+])C(=C=[N-])c1cccc(c1)C(O)c1cccc(c1)[N+]([O-])=O Show InChI InChI=1S/C22H17N4O3S/c23-13-18(22(25)30-20-10-2-1-9-19(20)24)14-5-3-6-15(11-14)21(27)16-7-4-8-17(12-16)26(28)29/h1-12,21,25,27H,24H2/q-1/p+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceuticals Research Institute Curated by ChEMBL					Assay Description Inhibitory potency against mitogen activated protein kinase kinase kinase 1				Bioorg Med Chem Lett 14: 1483-6 (2004) Article DOI: 10.1016/j.bmcl.2004.01.012 BindingDB Entry DOI: 10.7270/Q2H131F0
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50141417 ((Z)-3-Amino-3-(2-amino-phenylsulfanyl)-2-[3-(hydro...) Show SMILES Nc1ccccc1SC(=N)C(C#N)c1cccc(c1)C(O)c1ccsc1 Show InChI InChI=1S/C20H17N3OS2/c21-11-16(20(23)26-18-7-2-1-6-17(18)22)13-4-3-5-14(10-13)19(24)15-8-9-25-12-15/h1-10,12,16,19,23-24H,22H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceuticals Research Institute Curated by ChEMBL					Assay Description Inhibitory potency against mitogen activated protein kinase kinase kinase 1				Bioorg Med Chem Lett 14: 1483-6 (2004) Article DOI: 10.1016/j.bmcl.2004.01.012 BindingDB Entry DOI: 10.7270/Q2H131F0
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50141440 ((Z)-3-Amino-3-(2-amino-phenylsulfanyl)-2-[3-(hydro...) Show SMILES Cc1ccccc1C(O)c1cccc(c1)C(C#N)C(=N)Sc1ccccc1N Show InChI InChI=1S/C23H21N3OS/c1-15-7-2-3-10-18(15)22(27)17-9-6-8-16(13-17)19(14-24)23(26)28-21-12-5-4-11-20(21)25/h2-13,19,22,26-27H,25H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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
Bristol-Myers Squibb Pharmaceuticals Research Institute Curated by ChEMBL					Assay Description Inhibitory potency against mitogen activated protein kinase kinase kinase 1				Bioorg Med Chem Lett 14: 1483-6 (2004) Article DOI: 10.1016/j.bmcl.2004.01.012 BindingDB Entry DOI: 10.7270/Q2H131F0
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50141399 ((Z)-3-Amino-3-(2-amino-phenylsulfanyl)-2-{3-[(2,3-...) Show SMILES Nc1ccccc1SC(=N)C(C#N)c1cccc(c1)C(O)c1ccc2OCCOc2c1 Show InChI InChI=1S/C24H21N3O3S/c25-14-18(24(27)31-22-7-2-1-6-19(22)26)15-4-3-5-16(12-15)23(28)17-8-9-20-21(13-17)30-11-10-29-20/h1-9,12-13,18,23,27-28H,10-11,26H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceuticals Research Institute Curated by ChEMBL					Assay Description Inhibitory potency against mitogen activated protein kinase kinase kinase 1				Bioorg Med Chem Lett 14: 1483-6 (2004) Article DOI: 10.1016/j.bmcl.2004.01.012 BindingDB Entry DOI: 10.7270/Q2H131F0
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50141427 ((Z)-3-Amino-2-{3-[hydroxy-(3-nitro-phenyl)-methyl]...) Show SMILES OC(c1cccc(c1)C(=C=[N-])C(=[NH2+])Sc1ccccc1O)c1cccc(c1)[N+]([O-])=O Show InChI InChI=1S/C22H16N3O4S/c23-13-18(22(24)30-20-10-2-1-9-19(20)26)14-5-3-6-15(11-14)21(27)16-7-4-8-17(12-16)25(28)29/h1-12,21,24,26-27H/q-1/p+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceuticals Research Institute Curated by ChEMBL					Assay Description Inhibitory potency against mitogen activated protein kinase kinase kinase 1				Bioorg Med Chem Lett 14: 1483-6 (2004) Article DOI: 10.1016/j.bmcl.2004.01.012 BindingDB Entry DOI: 10.7270/Q2H131F0
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50141401 ((Z)-3-Amino-3-(2-amino-phenylsulfanyl)-2-[3-(hydro...) Show SMILES Nc1ccccc1SC(=N)C(C#N)c1cccc(c1)C(O)c1cccnc1 Show InChI InChI=1S/C21H18N4OS/c22-12-17(21(24)27-19-9-2-1-8-18(19)23)14-5-3-6-15(11-14)20(26)16-7-4-10-25-13-16/h1-11,13,17,20,24,26H,23H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceuticals Research Institute Curated by ChEMBL					Assay Description Inhibitory potency against mitogen activated protein kinase kinase kinase 1				Bioorg Med Chem Lett 14: 1483-6 (2004) Article DOI: 10.1016/j.bmcl.2004.01.012 BindingDB Entry DOI: 10.7270/Q2H131F0
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50141418 ((Z)-3-Amino-3-(2-amino-phenylsulfanyl)-2-[3-(hydro...) Show SMILES Nc1ccccc1SC(=N)C(C#N)c1cccc(c1)C(O)c1ccccc1 Show InChI InChI=1S/C22H19N3OS/c23-14-18(22(25)27-20-12-5-4-11-19(20)24)16-9-6-10-17(13-16)21(26)15-7-2-1-3-8-15/h1-13,18,21,25-26H,24H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceuticals Research Institute Curated by ChEMBL					Assay Description Inhibitory potency against mitogen activated protein kinase kinase kinase 1				Bioorg Med Chem Lett 14: 1483-6 (2004) Article DOI: 10.1016/j.bmcl.2004.01.012 BindingDB Entry DOI: 10.7270/Q2H131F0
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50141431 ((Z)-3-Amino-3-(2-amino-phenylsulfanyl)-2-(3-{hydro...) Show SMILES Nc1ccccc1SC(=N)C(C#N)c1cccc(c1)C(O)c1ccc(cc1)-c1nnn[nH]1 Show InChI InChI=1S/C23H19N7OS/c24-13-18(22(26)32-20-7-2-1-6-19(20)25)16-4-3-5-17(12-16)21(31)14-8-10-15(11-9-14)23-27-29-30-28-23/h1-12,18,21,26,31H,25H2,(H,27,28,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceuticals Research Institute Curated by ChEMBL					Assay Description Inhibitory potency against mitogen activated protein kinase kinase kinase 1				Bioorg Med Chem Lett 14: 1483-6 (2004) Article DOI: 10.1016/j.bmcl.2004.01.012 BindingDB Entry DOI: 10.7270/Q2H131F0
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50141419 ((Z)-3-Amino-3-(2-amino-phenylsulfanyl)-2-(3-phenox...) Show SMILES Nc1ccccc1SC(=N)C(C#N)c1cccc(Oc2ccccc2)c1 Show InChI InChI=1S/C21H17N3OS/c22-14-18(21(24)26-20-12-5-4-11-19(20)23)15-7-6-10-17(13-15)25-16-8-2-1-3-9-16/h1-13,18,24H,23H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceuticals Research Institute Curated by ChEMBL					Assay Description Inhibitory potency against mitogen activated protein kinase kinase kinase 1				Bioorg Med Chem Lett 14: 1483-6 (2004) Article DOI: 10.1016/j.bmcl.2004.01.012 BindingDB Entry DOI: 10.7270/Q2H131F0
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50141437 ((Z)-3-Amino-3-(2-amino-phenylsulfanyl)-2-(3-benzyl...) Show SMILES Nc1ccccc1SC(=N)C(C#N)c1cccc(Cc2ccccc2)c1 Show InChI InChI=1S/C22H19N3S/c23-15-19(22(25)26-21-12-5-4-11-20(21)24)18-10-6-9-17(14-18)13-16-7-2-1-3-8-16/h1-12,14,19,25H,13,24H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceuticals Research Institute Curated by ChEMBL					Assay Description Inhibitory potency against mitogen activated protein kinase kinase kinase 1				Bioorg Med Chem Lett 14: 1483-6 (2004) Article DOI: 10.1016/j.bmcl.2004.01.012 BindingDB Entry DOI: 10.7270/Q2H131F0
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50141416 ((Z)-3-Amino-3-(2-amino-phenylsulfanyl)-2-{3-[(3-fl...) Show SMILES Nc1ccccc1SC(=N)C(C#N)c1cccc(c1)C(O)c1cccc(F)c1 Show InChI InChI=1S/C22H18FN3OS/c23-17-8-4-7-16(12-17)21(27)15-6-3-5-14(11-15)18(13-24)22(26)28-20-10-2-1-9-19(20)25/h1-12,18,21,26-27H,25H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	44	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceuticals Research Institute Curated by ChEMBL					Assay Description Inhibitory potency against mitogen activated protein kinase kinase kinase 1				Bioorg Med Chem Lett 14: 1483-6 (2004) Article DOI: 10.1016/j.bmcl.2004.01.012 BindingDB Entry DOI: 10.7270/Q2H131F0
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50141425 ((Z)-3-Amino-3-(2-amino-phenylsulfanyl)-2-[3-(hydro...) Show SMILES Nc1ccccc1SC(=N)C(C#N)c1cccc(c1)C(O)c1cccc2ccccc12 Show InChI InChI=1S/C26H21N3OS/c27-16-22(26(29)31-24-14-4-3-13-23(24)28)18-9-5-10-19(15-18)25(30)21-12-6-8-17-7-1-2-11-20(17)21/h1-15,22,25,29-30H,28H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	47	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceuticals Research Institute Curated by ChEMBL					Assay Description Inhibitory potency against mitogen activated protein kinase kinase kinase 1				Bioorg Med Chem Lett 14: 1483-6 (2004) Article DOI: 10.1016/j.bmcl.2004.01.012 BindingDB Entry DOI: 10.7270/Q2H131F0
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50141415 ((Z)-3-Amino-3-(2-amino-phenylsulfanyl)-2-[3-(hydro...) Show SMILES Cc1ccc(cc1)C(O)c1cccc(c1)C(C#N)C(=N)Sc1ccccc1N Show InChI InChI=1S/C23H21N3OS/c1-15-9-11-16(12-10-15)22(27)18-6-4-5-17(13-18)19(14-24)23(26)28-21-8-3-2-7-20(21)25/h2-13,19,22,26-27H,25H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceuticals Research Institute Curated by ChEMBL					Assay Description Inhibitory potency against mitogen activated protein kinase kinase kinase 1				Bioorg Med Chem Lett 14: 1483-6 (2004) Article DOI: 10.1016/j.bmcl.2004.01.012 BindingDB Entry DOI: 10.7270/Q2H131F0
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM576872 (4-(1-(2-Chloro-4-((((1- ethyl-1H-pyrazol-4- yl)m...) Show SMILES CCn1cc(CNCc2ccc(c(Cl)c2)-n2cc(cn2)-c2nc(NC3CCN(CC3)S(C)(=O)=O)ncc2C#N)cn1 Show InChI	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description CDK2/Cyclin E1 enzyme activity assays utilize full-length human CDK2 co-expressed as N-terminal GST-tagged protein with FLAG-Cyclin E1 in a baculovir...				Citation and Details BindingDB Entry DOI: 10.7270/Q2FX7DQ0
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM576873 ((R)-4-(1-(2-Chloro-4- (((tetrahydro-2H-pyran-3- ...) Show SMILES CS(=O)(=O)N1CCC(CC1)Nc1ncc(C#N)c(n1)-c1cnn(c1)-c1ccc(CN[C@@H]2CCCOC2)cc1Cl |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description CDK2/Cyclin E1 enzyme activity assays utilize full-length human CDK2 co-expressed as N-terminal GST-tagged protein with FLAG-Cyclin E1 in a baculovir...				Citation and Details BindingDB Entry DOI: 10.7270/Q2FX7DQ0
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM576874 ((S)-4-(1-(2-Chloro-4- (((tetrahydro-2H-pyran-3- ...) Show SMILES CS(=O)(=O)N1CCC(CC1)Nc1ncc(C#N)c(n1)-c1cnn(c1)-c1ccc(CN[C@H]2CCCOC2)cc1Cl |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description CDK2/Cyclin E1 enzyme activity assays utilize full-length human CDK2 co-expressed as N-terminal GST-tagged protein with FLAG-Cyclin E1 in a baculovir...				Citation and Details BindingDB Entry DOI: 10.7270/Q2FX7DQ0
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM576875 (Ethyl 4-((3-chloro-4-(4- (5-cyano-2-((1- (methyl...) Show SMILES CCOC(=O)N1CCC(CC1)NCc1ccc(c(Cl)c1)-n1cc(cn1)-c1nc(NC2CCN(CC2)S(C)(=O)=O)ncc1C#N Show InChI	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description CDK2/Cyclin E1 enzyme activity assays utilize full-length human CDK2 co-expressed as N-terminal GST-tagged protein with FLAG-Cyclin E1 in a baculovir...				Citation and Details BindingDB Entry DOI: 10.7270/Q2FX7DQ0
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM576876 ((+-)-4-(1-(2-Chloro-4- (((1- (methylsulfonyl) p...) Show SMILES CS(=O)(=O)N1CCC(C1)NCc1ccc(c(Cl)c1)-n1cc(cn1)-c1nc(NC2CCN(CC2)S(C)(=O)=O)ncc1C#N Show InChI	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description CDK2/Cyclin E1 enzyme activity assays utilize full-length human CDK2 co-expressed as N-terminal GST-tagged protein with FLAG-Cyclin E1 in a baculovir...				Citation and Details BindingDB Entry DOI: 10.7270/Q2FX7DQ0
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM576877 (4-(1-(2-Chloro-4-(((2- (trifluoromethoxy)ethyl) ...) Show SMILES CS(=O)(=O)N1CCC(CC1)Nc1ncc(C#N)c(n1)-c1cnn(c1)-c1ccc(CNCCOC(F)(F)F)cc1Cl Show InChI	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description CDK2/Cyclin E1 enzyme activity assays utilize full-length human CDK2 co-expressed as N-terminal GST-tagged protein with FLAG-Cyclin E1 in a baculovir...				Citation and Details BindingDB Entry DOI: 10.7270/Q2FX7DQ0
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM576878 (4-(1-(2-Chloro-4-(((2- (methylsulfonyl)ethyl) am...) Show SMILES CS(=O)(=O)CCNCc1ccc(c(Cl)c1)-n1cc(cn1)-c1nc(NC2CCN(CC2)S(C)(=O)=O)ncc1C#N Show InChI	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description CDK2/Cyclin E1 enzyme activity assays utilize full-length human CDK2 co-expressed as N-terminal GST-tagged protein with FLAG-Cyclin E1 in a baculovir...				Citation and Details BindingDB Entry DOI: 10.7270/Q2FX7DQ0
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM576879 (US11472791, Example 201) Show SMILES CC(C)(O)Cn1cc(cn1)-c1nc(N[C@H]2CCN(C[C@H]2F)S(=O)(=O)CCCN2CCOCC2)ncc1C(F)(F)F |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description CDK2/Cyclin E1 enzyme activity assays utilize full-length human CDK2 co-expressed as N-terminal GST-tagged protein with FLAG-Cyclin E1 in a baculovir...				Citation and Details BindingDB Entry DOI: 10.7270/Q2FX7DQ0
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM576880 (1-(4-(2-(((3R,4S)-1-((3- (Diethylamino)propyl) s...) Show SMILES CCN(CC)CCCS(=O)(=O)N1CC[C@H](Nc2ncc(c(n2)-c2cnn(CC(C)(C)O)c2)C(F)(F)F)[C@H](F)C1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description CDK2/Cyclin E1 enzyme activity assays utilize full-length human CDK2 co-expressed as N-terminal GST-tagged protein with FLAG-Cyclin E1 in a baculovir...				Citation and Details BindingDB Entry DOI: 10.7270/Q2FX7DQ0
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM576881 (1-(4-(2-(((3R,4S)-3- Fluoro-1-((3-(pyrrolidin- 1...) Show SMILES CC(C)(O)Cn1cc(cn1)-c1nc(N[C@H]2CCN(C[C@H]2F)S(=O)(=O)CCCN2CCCC2)ncc1C(F)(F)F |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description CDK2/Cyclin E1 enzyme activity assays utilize full-length human CDK2 co-expressed as N-terminal GST-tagged protein with FLAG-Cyclin E1 in a baculovir...				Citation and Details BindingDB Entry DOI: 10.7270/Q2FX7DQ0
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM576882 (1-(4-(2-(((3R,4S)-3- Fluoro-1-((3-(piperidin-1- ...) Show SMILES CC(C)(O)Cn1cc(cn1)-c1nc(N[C@H]2CCN(C[C@H]2F)S(=O)(=O)CCCN2CCCCC2)ncc1C(F)(F)F |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description CDK2/Cyclin E1 enzyme activity assays utilize full-length human CDK2 co-expressed as N-terminal GST-tagged protein with FLAG-Cyclin E1 in a baculovir...				Citation and Details BindingDB Entry DOI: 10.7270/Q2FX7DQ0
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM576883 (1-(4-(2-(((3R,4S)-1-((3- (Dimethylamino)propyl) ...) Show SMILES CN(C)CCCS(=O)(=O)N1CC[C@H](Nc2ncc(c(n2)-c2cnn(CC(C)(C)O)c2)C(F)(F)F)[C@H](F)C1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description CDK2/Cyclin E1 enzyme activity assays utilize full-length human CDK2 co-expressed as N-terminal GST-tagged protein with FLAG-Cyclin E1 in a baculovir...				Citation and Details BindingDB Entry DOI: 10.7270/Q2FX7DQ0
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM576884 (1-(4-(2-(((3R,4S)-3- Fluoro-1-((3-((R)-3- methox...) Show SMILES CO[C@@H]1CCN(CCCS(=O)(=O)N2CC[C@H](Nc3ncc(c(n3)-c3cnn(CC(C)(C)O)c3)C(F)(F)F)[C@H](F)C2)C1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description CDK2/Cyclin E1 enzyme activity assays utilize full-length human CDK2 co-expressed as N-terminal GST-tagged protein with FLAG-Cyclin E1 in a baculovir...				Citation and Details BindingDB Entry DOI: 10.7270/Q2FX7DQ0
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM576885 (1-(4-(2-(((3R,4S)-3- Fluoro-1-((3-(4- methoxypip...) Show SMILES COC1CCN(CCCS(=O)(=O)N2CC[C@H](Nc3ncc(c(n3)-c3cnn(CC(C)(C)O)c3)C(F)(F)F)[C@H](F)C2)CC1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description CDK2/Cyclin E1 enzyme activity assays utilize full-length human CDK2 co-expressed as N-terminal GST-tagged protein with FLAG-Cyclin E1 in a baculovir...				Citation and Details BindingDB Entry DOI: 10.7270/Q2FX7DQ0
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM576886 (1-(3-(((3R,4S)-3-Fluoro- 4-((4-(1-(2-hydroxy-2- ...) Show SMILES CC(C)(O)Cn1cc(cn1)-c1nc(N[C@H]2CCN(C[C@H]2F)S(=O)(=O)CCCN2CCC(O)CC2)ncc1C(F)(F)F |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description CDK2/Cyclin E1 enzyme activity assays utilize full-length human CDK2 co-expressed as N-terminal GST-tagged protein with FLAG-Cyclin E1 in a baculovir...				Citation and Details BindingDB Entry DOI: 10.7270/Q2FX7DQ0
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM576887 (1-(4-(2-(((3R,4S)-3- Fluoro-1-((3-(4- methylpipe...) Show SMILES CN1CCN(CCCS(=O)(=O)N2CC[C@H](Nc3ncc(c(n3)-c3cnn(CC(C)(C)O)c3)C(F)(F)F)[C@H](F)C2)CC1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description CDK2/Cyclin E1 enzyme activity assays utilize full-length human CDK2 co-expressed as N-terminal GST-tagged protein with FLAG-Cyclin E1 in a baculovir...				Citation and Details BindingDB Entry DOI: 10.7270/Q2FX7DQ0
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM576888 (1-(4-(2-(((3R,45)-1-((3- (4-Ethylpiperazin-1- yl...) Show SMILES CCN1CCN(CCCS(=O)(=O)N2CC[C@H](Nc3ncc(c(n3)-c3cnn(CC(C)(C)O)c3)C(F)(F)F)[C@H](F)C2)CC1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description CDK2/Cyclin E1 enzyme activity assays utilize full-length human CDK2 co-expressed as N-terminal GST-tagged protein with FLAG-Cyclin E1 in a baculovir...				Citation and Details BindingDB Entry DOI: 10.7270/Q2FX7DQ0
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM576889 (1-(4-(2-(((3R,4S)-3- Fluoro-1-((3-((1S,4S)-5- me...) Show SMILES CN1C[C@@H]2C[C@H]1CN2CCCS(=O)(=O)N1CC[C@H](Nc2ncc(c(n2)-c2cnn(CC(C)(C)O)c2)C(F)(F)F)[C@H](F)C1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description CDK2/Cyclin E1 enzyme activity assays utilize full-length human CDK2 co-expressed as N-terminal GST-tagged protein with FLAG-Cyclin E1 in a baculovir...				Citation and Details BindingDB Entry DOI: 10.7270/Q2FX7DQ0
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM576890 (4-(3-(((3R,4S)-3-Fluoro- 4-((4-(1-(2-hydroxy-2- ...) Show SMILES CN1CCN(CCCS(=O)(=O)N2CC[C@H](Nc3ncc(c(n3)-c3cnn(CC(C)(C)O)c3)C(F)(F)F)[C@H](F)C2)CC1=O |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description CDK2/Cyclin E1 enzyme activity assays utilize full-length human CDK2 co-expressed as N-terminal GST-tagged protein with FLAG-Cyclin E1 in a baculovir...				Citation and Details BindingDB Entry DOI: 10.7270/Q2FX7DQ0
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM576891 (2-((1-((3- (Diethylamino)propyl) sulfonyl)piperi...) Show SMILES CCN(CC)CCCS(=O)(=O)N1CCC(CC1)Nc1ncc(C#N)c(n1)-c1cnn(CC(C)(C)O)c1 Show InChI	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description CDK2/Cyclin E1 enzyme activity assays utilize full-length human CDK2 co-expressed as N-terminal GST-tagged protein with FLAG-Cyclin E1 in a baculovir...				Citation and Details BindingDB Entry DOI: 10.7270/Q2FX7DQ0
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM576892 (4-(1-(2-Hydroxy-2- methylpropyl)-1H- pyrazol-4-y...) Show SMILES CC(C)(O)Cn1cc(cn1)-c1nc(NC2CCN(CC2)S(=O)(=O)CCCN2CCCC2)ncc1C#N Show InChI	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description CDK2/Cyclin E1 enzyme activity assays utilize full-length human CDK2 co-expressed as N-terminal GST-tagged protein with FLAG-Cyclin E1 in a baculovir...				Citation and Details BindingDB Entry DOI: 10.7270/Q2FX7DQ0
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM576893 (4-(1-(2-Hydroxy-2- methylpropyl)-1H- pyrazol-4-y...) Show SMILES CC(C)(O)Cn1cc(cn1)-c1nc(NC2CCN(CC2)S(=O)(=O)CCCN2CCCCC2)ncc1C#N Show InChI	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description CDK2/Cyclin E1 enzyme activity assays utilize full-length human CDK2 co-expressed as N-terminal GST-tagged protein with FLAG-Cyclin E1 in a baculovir...				Citation and Details BindingDB Entry DOI: 10.7270/Q2FX7DQ0
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM576894 (2-((1-((4- (Diethylamino)butyl) sulfonyl)piperid...) Show SMILES CCN(CC)CCCCS(=O)(=O)N1CCC(CC1)Nc1ncc(C#N)c(n1)-c1cnn(CC(C)(C)O)c1 Show InChI	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description CDK2/Cyclin E1 enzyme activity assays utilize full-length human CDK2 co-expressed as N-terminal GST-tagged protein with FLAG-Cyclin E1 in a baculovir...				Citation and Details BindingDB Entry DOI: 10.7270/Q2FX7DQ0
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM576895 (4-(1-(2-Hydroxy-2- methylpropyl)-1H- pyrazol-4-y...) Show SMILES CC(C)(O)Cn1cc(cn1)-c1nc(NC2CCN(CC2)S(=O)(=O)CCCCN2CCCC2)ncc1C#N Show InChI	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description CDK2/Cyclin E1 enzyme activity assays utilize full-length human CDK2 co-expressed as N-terminal GST-tagged protein with FLAG-Cyclin E1 in a baculovir...				Citation and Details BindingDB Entry DOI: 10.7270/Q2FX7DQ0
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM576896 (4-(1-(2-Hydroxy-2- methylpropyl)-1H- pyrazol-4-y...) Show SMILES CC(C)(O)Cn1cc(cn1)-c1nc(NC2CCN(CC2)S(=O)(=O)CCCCN2CCCCC2)ncc1C#N Show InChI	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description CDK2/Cyclin E1 enzyme activity assays utilize full-length human CDK2 co-expressed as N-terminal GST-tagged protein with FLAG-Cyclin E1 in a baculovir...				Citation and Details BindingDB Entry DOI: 10.7270/Q2FX7DQ0
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM576897 ((S)-1-(4-(2-((1-((3-(3- Methoxypyrrolidin-1- yl)...) Show SMILES CO[C@H]1CCN(CCCS(=O)(=O)N2CCC(CC2)Nc2ncc(c(n2)-c2cnn(CC(C)(C)O)c2)C(F)(F)F)C1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description CDK2/Cyclin E1 enzyme activity assays utilize full-length human CDK2 co-expressed as N-terminal GST-tagged protein with FLAG-Cyclin E1 in a baculovir...				Citation and Details BindingDB Entry DOI: 10.7270/Q2FX7DQ0
					More data for this Ligand-Target Pair

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