Compile Data Set for Download or QSAR

Found 170 hits with Last Name = 'froissant' and Initial = 'j'   

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
Relaxin receptor 1 (Homo sapiens (Human))	BDBM50563230 (CHEMBL4754949) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CC(O)=O)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H]1CSSC[C@@H]2NC(=O)[C@H](CSCCSC[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc3cnc[nH]3)NC2=O)C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2ccccc2)C(=O)NC(CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC1=O)C(C)C)[C@@H](C)CC)[C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CCSC)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(O)=O)C(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC(C)C |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of Eu3+-labelled H2 relaxin from human RXFP1 expressed in human HEK-293T cells in presence of 10 % FCS by competition binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01533 BindingDB Entry DOI: 10.7270/Q2XW4PHG
					More data for this Ligand-Target Pair
Relaxin receptor 1 (Homo sapiens (Human))	BDBM50563231 (CHEMBL4780098) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@@H](N)C(C)C)[C@@H](C)CC)C(C)C)[C@@H](C)CC)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CCSC)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(N)=O |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.88E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of Eu3+-labelled H2 relaxin from human RXFP1 expressed in human HEK-293T cells in presence of 10 % FCS by competition binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01533 BindingDB Entry DOI: 10.7270/Q2XW4PHG
					More data for this Ligand-Target Pair
Casein kinase I isoform epsilon (Homo sapiens (Human))	BDBM207024 (US9233965, 2) Show SMILES COc1ccc(cc1)-c1cn2CCN(Cc2c1C(N)=O)C(=O)NC(C)(C)C Show InChI InChI=1S/C20H26N4O3/c1-20(2,3)22-19(26)24-10-9-23-11-15(17(18(21)25)16(23)12-24)13-5-7-14(27-4)8-6-13/h5-8,11H,9-10,12H2,1-4H3,(H2,21,25)(H,22,26)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	7.5	25
SANOFI US Patent					Assay Description "U"-bottomed Falcon plates are prepared by placing 5 uL of solutions of the compounds according to the invention at concentrations of 10, 1, 0.1, 0.0...				US Patent US9233965 (2016) BindingDB Entry DOI: 10.7270/Q2086443
					More data for this Ligand-Target Pair
Casein kinase I isoform epsilon (Homo sapiens (Human))	BDBM206926 (US9233965, 87) Show SMILES [#6]C([#6])([#6])[#8]\[#7]=[#6]-1/[#6]-[#6]-[#6](-[#6]-[#6]-1)-[#7]-[#6](=O)-[#8]-c1ccc(cc1)-[#7+](-[#8-])=O Show InChI InChI=1S/C17H23N3O5/c1-17(2,3)25-19-13-6-4-12(5-7-13)18-16(21)24-15-10-8-14(9-11-15)20(22)23/h8-12H,4-7H2,1-3H3,(H,18,21)/b19-13-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	7.5	25
SANOFI US Patent					Assay Description "U"-bottomed Falcon plates are prepared by placing 5 uL of solutions of the compounds according to the invention at concentrations of 10, 1, 0.1, 0.0...				US Patent US9233965 (2016) BindingDB Entry DOI: 10.7270/Q2086443
					More data for this Ligand-Target Pair
Casein kinase I isoform epsilon (Homo sapiens (Human))	BDBM207003 (US9233965, 86) Show SMILES [#6]-[#8]\[#7]=[#6]-1/[#6]-[#6]-[#6](-[#6]-[#6]-1)-[#7]-[#6](=O)-[#7]-1-[#6]-[#6]-n2c(Cl)c(c(-[#6](-[#7])=O)c2-[#6]-1)-c1cccc(F)c1 Show InChI InChI=1S/C22H25ClFN5O3/c1-32-27-16-7-5-15(6-8-16)26-22(31)28-9-10-29-17(12-28)19(21(25)30)18(20(29)23)13-3-2-4-14(24)11-13/h2-4,11,15H,5-10,12H2,1H3,(H2,25,30)(H,26,31)/b27-16-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	7.5	25
SANOFI US Patent					Assay Description "U"-bottomed Falcon plates are prepared by placing 5 uL of solutions of the compounds according to the invention at concentrations of 10, 1, 0.1, 0.0...				US Patent US9233965 (2016) BindingDB Entry DOI: 10.7270/Q2086443
					More data for this Ligand-Target Pair
Casein kinase I isoform epsilon (Homo sapiens (Human))	BDBM207001 (US9233965, 84) Show SMILES CC1(O)CCC(CC1)NC(=O)N1CCn2c(Cl)c(c(C(N)=O)c2C1)-c1cccc(F)c1 |(-8.83,1.75,;-7.5,2.52,;-8.83,3.29,;-7.5,.98,;-6.16,.21,;-4.83,.98,;-4.83,2.52,;-6.16,3.29,;-3.49,.21,;-2.16,.98,;-2.16,2.52,;-.83,.21,;-.83,-1.33,;.51,-2.1,;1.84,-1.33,;3.3,-1.8,;3.7,-3.29,;4.21,-.56,;3.3,.69,;3.7,2.18,;5.19,2.57,;2.61,3.26,;1.84,.21,;.51,.98,;5.75,-.56,;6.52,-1.89,;8.06,-1.89,;8.83,-.56,;8.06,.78,;8.83,2.11,;6.52,.78,)| Show InChI InChI=1S/C22H26ClFN4O3/c1-22(31)7-5-15(6-8-22)26-21(30)27-9-10-28-16(12-27)18(20(25)29)17(19(28)23)13-3-2-4-14(24)11-13/h2-4,11,15,31H,5-10,12H2,1H3,(H2,25,29)(H,26,30)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.5	25
SANOFI US Patent					Assay Description "U"-bottomed Falcon plates are prepared by placing 5 uL of solutions of the compounds according to the invention at concentrations of 10, 1, 0.1, 0.0...				US Patent US9233965 (2016) BindingDB Entry DOI: 10.7270/Q2086443
					More data for this Ligand-Target Pair
Casein kinase I isoform epsilon (Homo sapiens (Human))	BDBM207020 (US9233965, 107) Show SMILES CC(C)(NC(=O)N1CCn2c(C1)c(C(N)=O)c(c2C#N)-c1cccc(F)c1)C(F)(F)F Show InChI InChI=1S/C20H19F4N5O2/c1-19(2,20(22,23)24)27-18(31)28-6-7-29-13(9-25)15(11-4-3-5-12(21)8-11)16(17(26)30)14(29)10-28/h3-5,8H,6-7,10H2,1-2H3,(H2,26,30)(H,27,31)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	7.5	25
SANOFI US Patent					Assay Description "U"-bottomed Falcon plates are prepared by placing 5 uL of solutions of the compounds according to the invention at concentrations of 10, 1, 0.1, 0.0...				US Patent US9233965 (2016) BindingDB Entry DOI: 10.7270/Q2086443
					More data for this Ligand-Target Pair
Casein kinase I isoform epsilon (Homo sapiens (Human))	BDBM207015 (US9233965, 100) Show SMILES C[C@H]1CC(C[C@@H](C)O1)NC(=O)N1CCn2c(Cl)c(c(C(N)=O)c2C1)-c1cccc(F)c1 |r| Show InChI InChI=1S/C22H26ClFN4O3/c1-12-8-16(9-13(2)31-12)26-22(30)27-6-7-28-17(11-27)19(21(25)29)18(20(28)23)14-4-3-5-15(24)10-14/h3-5,10,12-13,16H,6-9,11H2,1-2H3,(H2,25,29)(H,26,30)/t12-,13+,16?	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1	n/a	n/a	n/a	n/a	7.5	25
SANOFI US Patent					Assay Description "U"-bottomed Falcon plates are prepared by placing 5 uL of solutions of the compounds according to the invention at concentrations of 10, 1, 0.1, 0.0...				US Patent US9233965 (2016) BindingDB Entry DOI: 10.7270/Q2086443
					More data for this Ligand-Target Pair
Casein kinase I isoform epsilon (Homo sapiens (Human))	BDBM207023 (US9233965, 110) Show SMILES NC(=O)c1c2CN(CCn2c(C#N)c1-c1cccc(F)c1)C(=O)NC1CCC(F)(F)CC1 Show InChI InChI=1S/C22H22F3N5O2/c23-14-3-1-2-13(10-14)18-16(11-26)30-9-8-29(12-17(30)19(18)20(27)31)21(32)28-15-4-6-22(24,25)7-5-15/h1-3,10,15H,4-9,12H2,(H2,27,31)(H,28,32)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	7.5	25
SANOFI US Patent					Assay Description "U"-bottomed Falcon plates are prepared by placing 5 uL of solutions of the compounds according to the invention at concentrations of 10, 1, 0.1, 0.0...				US Patent US9233965 (2016) BindingDB Entry DOI: 10.7270/Q2086443
					More data for this Ligand-Target Pair
Casein kinase I isoform epsilon (Homo sapiens (Human))	BDBM206925 (US9233965, 105) Show SMILES CC(C)(C)NC(=O)N1CCn2c(C1)c(C(N)=O)c(c2C#N)-c1cccc(F)c1 Show InChI InChI=1S/C20H22FN5O2/c1-20(2,3)24-19(28)25-7-8-26-14(10-22)16(12-5-4-6-13(21)9-12)17(18(23)27)15(26)11-25/h4-6,9H,7-8,11H2,1-3H3,(H2,23,27)(H,24,28)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	7.5	25
SANOFI US Patent					Assay Description "U"-bottomed Falcon plates are prepared by placing 5 uL of solutions of the compounds according to the invention at concentrations of 10, 1, 0.1, 0.0...				US Patent US9233965 (2016) BindingDB Entry DOI: 10.7270/Q2086443
					More data for this Ligand-Target Pair
Casein kinase I isoform epsilon (Homo sapiens (Human))	BDBM206924 (US9233965, 104) Show SMILES CC(C)(C)NC(=O)N1CCn2c(Br)c(c(C(N)=O)c2C1)-c1cccc(F)c1 Show InChI InChI=1S/C19H22BrFN4O2/c1-19(2,3)23-18(27)24-7-8-25-13(10-24)15(17(22)26)14(16(25)20)11-5-4-6-12(21)9-11/h4-6,9H,7-8,10H2,1-3H3,(H2,22,26)(H,23,27)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	7.5	25
SANOFI US Patent					Assay Description "U"-bottomed Falcon plates are prepared by placing 5 uL of solutions of the compounds according to the invention at concentrations of 10, 1, 0.1, 0.0...				US Patent US9233965 (2016) BindingDB Entry DOI: 10.7270/Q2086443
					More data for this Ligand-Target Pair
Casein kinase I isoform epsilon (Homo sapiens (Human))	BDBM206971 (US9233965, 48) Show SMILES CSc1ccc(cc1)-c1c(C2CC2)n2CCN(Cc2c1C(N)=O)C(=O)NC(C)(C)C Show InChI InChI=1S/C23H30N4O2S/c1-23(2,3)25-22(29)26-11-12-27-17(13-26)19(21(24)28)18(20(27)15-5-6-15)14-7-9-16(30-4)10-8-14/h7-10,15H,5-6,11-13H2,1-4H3,(H2,24,28)(H,25,29)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.5	n/a	n/a	n/a	n/a	7.5	25
SANOFI US Patent					Assay Description "U"-bottomed Falcon plates are prepared by placing 5 uL of solutions of the compounds according to the invention at concentrations of 10, 1, 0.1, 0.0...				US Patent US9233965 (2016) BindingDB Entry DOI: 10.7270/Q2086443
					More data for this Ligand-Target Pair
Casein kinase I isoform epsilon (Homo sapiens (Human))	BDBM207005 (US9233965, 89) Show SMILES NC(=O)c1c2CN(CCn2c(Cl)c1-c1cccc(F)c1)C(=O)NC1CCC(F)(F)CC1 Show InChI InChI=1S/C21H22ClF3N4O2/c22-18-16(12-2-1-3-13(23)10-12)17(19(26)30)15-11-28(8-9-29(15)18)20(31)27-14-4-6-21(24,25)7-5-14/h1-3,10,14H,4-9,11H2,(H2,26,30)(H,27,31)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	7.5	25
SANOFI US Patent					Assay Description "U"-bottomed Falcon plates are prepared by placing 5 uL of solutions of the compounds according to the invention at concentrations of 10, 1, 0.1, 0.0...				US Patent US9233965 (2016) BindingDB Entry DOI: 10.7270/Q2086443
					More data for this Ligand-Target Pair
Casein kinase I isoform epsilon (Homo sapiens (Human))	BDBM207002 (US9233965, 85) Show SMILES NC(=O)c1c2CN(CCn2c(Cl)c1-c1cccc(F)c1)C(=O)NC1CCC(O)(CC1)C(F)(F)F |(5.19,2.57,;3.7,2.18,;2.61,3.26,;3.3,.69,;1.84,.21,;.51,.98,;-.83,.21,;-.83,-1.33,;.51,-2.1,;1.84,-1.33,;3.3,-1.8,;3.7,-3.29,;4.21,-.56,;5.75,-.56,;6.52,-1.89,;8.06,-1.89,;8.83,-.56,;8.06,.78,;8.83,2.11,;6.52,.78,;-2.16,.98,;-2.16,2.52,;-3.49,.21,;-4.83,.98,;-6.16,.21,;-7.5,.98,;-7.5,2.52,;-8.83,3.29,;-6.16,3.29,;-4.83,2.52,;-8.83,1.75,;-10.37,1.75,;-9.92,.66,;-8.43,.26,)| Show InChI InChI=1S/C22H23ClF4N4O3/c23-18-16(12-2-1-3-13(24)10-12)17(19(28)32)15-11-30(8-9-31(15)18)20(33)29-14-4-6-21(34,7-5-14)22(25,26)27/h1-3,10,14,34H,4-9,11H2,(H2,28,32)(H,29,33)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	7.5	25
SANOFI US Patent					Assay Description "U"-bottomed Falcon plates are prepared by placing 5 uL of solutions of the compounds according to the invention at concentrations of 10, 1, 0.1, 0.0...				US Patent US9233965 (2016) BindingDB Entry DOI: 10.7270/Q2086443
					More data for this Ligand-Target Pair
Casein kinase I isoform epsilon (Homo sapiens (Human))	BDBM206915 (US9233965, 79) Show SMILES CC(C)(NC(=O)N1CCn2c(Cl)c(c(C(N)=O)c2C1)-c1cccc(F)c1)C(F)(F)F Show InChI InChI=1S/C19H19ClF4N4O2/c1-18(2,19(22,23)24)26-17(30)27-6-7-28-12(9-27)14(16(25)29)13(15(28)20)10-4-3-5-11(21)8-10/h3-5,8H,6-7,9H2,1-2H3,(H2,25,29)(H,26,30)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	7.5	25
SANOFI US Patent					Assay Description "U"-bottomed Falcon plates are prepared by placing 5 uL of solutions of the compounds according to the invention at concentrations of 10, 1, 0.1, 0.0...				US Patent US9233965 (2016) BindingDB Entry DOI: 10.7270/Q2086443
					More data for this Ligand-Target Pair
Casein kinase I isoform epsilon (Homo sapiens (Human))	BDBM206920 (US9233965, 64) Show SMILES COc1ccc(cc1)-c1c(Cl)n2CCN(Cc2c1C(N)=O)C(=O)NC(C)(C)C Show InChI InChI=1S/C20H25ClN4O3/c1-20(2,3)23-19(27)24-9-10-25-14(11-24)16(18(22)26)15(17(25)21)12-5-7-13(28-4)8-6-12/h5-8H,9-11H2,1-4H3,(H2,22,26)(H,23,27)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	7.5	25
SANOFI US Patent					Assay Description "U"-bottomed Falcon plates are prepared by placing 5 uL of solutions of the compounds according to the invention at concentrations of 10, 1, 0.1, 0.0...				US Patent US9233965 (2016) BindingDB Entry DOI: 10.7270/Q2086443
					More data for this Ligand-Target Pair
Casein kinase I isoform epsilon (Homo sapiens (Human))	BDBM206981 (US9233965, 62) Show SMILES COc1cccc(c1)-c1c(Cl)n2CCN(Cc2c1C(N)=O)C(=O)NC(C)(C)C Show InChI InChI=1S/C20H25ClN4O3/c1-20(2,3)23-19(27)24-8-9-25-14(11-24)16(18(22)26)15(17(25)21)12-6-5-7-13(10-12)28-4/h5-7,10H,8-9,11H2,1-4H3,(H2,22,26)(H,23,27)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	7.5	25
SANOFI US Patent					Assay Description "U"-bottomed Falcon plates are prepared by placing 5 uL of solutions of the compounds according to the invention at concentrations of 10, 1, 0.1, 0.0...				US Patent US9233965 (2016) BindingDB Entry DOI: 10.7270/Q2086443
					More data for this Ligand-Target Pair
Casein kinase I isoform epsilon (Homo sapiens (Human))	BDBM206928 (US9233965, 4) Show SMILES COc1ccc(cc1)-c1c(C)n2CCN(Cc2c1C(N)=O)C(=O)NC(C)(C)C Show InChI InChI=1S/C21H28N4O3/c1-13-17(14-6-8-15(28-5)9-7-14)18(19(22)26)16-12-24(10-11-25(13)16)20(27)23-21(2,3)4/h6-9H,10-12H2,1-5H3,(H2,22,26)(H,23,27)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	7.5	25
SANOFI US Patent					Assay Description "U"-bottomed Falcon plates are prepared by placing 5 uL of solutions of the compounds according to the invention at concentrations of 10, 1, 0.1, 0.0...				US Patent US9233965 (2016) BindingDB Entry DOI: 10.7270/Q2086443
					More data for this Ligand-Target Pair
Casein kinase I isoform epsilon (Homo sapiens (Human))	BDBM207019 (US9233965, 106) Show SMILES CC(NC(=O)N1CCn2c(C1)c(C(N)=O)c(c2C#N)-c1cccc(F)c1)C(F)(F)F Show InChI InChI=1S/C19H17F4N5O2/c1-10(19(21,22)23)26-18(30)27-5-6-28-13(8-24)15(11-3-2-4-12(20)7-11)16(17(25)29)14(28)9-27/h2-4,7,10H,5-6,9H2,1H3,(H2,25,29)(H,26,30)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	7.5	25
SANOFI US Patent					Assay Description "U"-bottomed Falcon plates are prepared by placing 5 uL of solutions of the compounds according to the invention at concentrations of 10, 1, 0.1, 0.0...				US Patent US9233965 (2016) BindingDB Entry DOI: 10.7270/Q2086443
					More data for this Ligand-Target Pair
Casein kinase I isoform epsilon (Homo sapiens (Human))	BDBM206998 (US9233965, 78) Show SMILES CC(NC(=O)N1CCn2c(Cl)c(c(C(N)=O)c2C1)-c1cccc(F)c1)C(F)(F)F Show InChI InChI=1S/C18H17ClF4N4O2/c1-9(18(21,22)23)25-17(29)26-5-6-27-12(8-26)14(16(24)28)13(15(27)19)10-3-2-4-11(20)7-10/h2-4,7,9H,5-6,8H2,1H3,(H2,24,28)(H,25,29)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	7.5	25
SANOFI US Patent					Assay Description "U"-bottomed Falcon plates are prepared by placing 5 uL of solutions of the compounds according to the invention at concentrations of 10, 1, 0.1, 0.0...				US Patent US9233965 (2016) BindingDB Entry DOI: 10.7270/Q2086443
					More data for this Ligand-Target Pair
Casein kinase I isoform epsilon (Homo sapiens (Human))	BDBM206984 (US9233965, 67) Show SMILES CC(C)(C)NC(=O)N1CCn2c(Cl)c(c(C(N)=O)c2C1)-c1cccc(F)c1 Show InChI InChI=1S/C19H22ClFN4O2/c1-19(2,3)23-18(27)24-7-8-25-13(10-24)15(17(22)26)14(16(25)20)11-5-4-6-12(21)9-11/h4-6,9H,7-8,10H2,1-3H3,(H2,22,26)(H,23,27)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	7.5	25
SANOFI US Patent					Assay Description "U"-bottomed Falcon plates are prepared by placing 5 uL of solutions of the compounds according to the invention at concentrations of 10, 1, 0.1, 0.0...				US Patent US9233965 (2016) BindingDB Entry DOI: 10.7270/Q2086443
					More data for this Ligand-Target Pair
Casein kinase I isoform epsilon (Homo sapiens (Human))	BDBM206939 (US9233965, 15) Show SMILES CC(C)(C)NC(=O)N1CCn2c(C1)c(C(N)=O)c(c2C1CC1)-c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C28H32N4O2/c1-28(2,3)30-27(34)31-15-16-32-22(17-31)24(26(29)33)23(25(32)21-13-14-21)20-11-9-19(10-12-20)18-7-5-4-6-8-18/h4-12,21H,13-17H2,1-3H3,(H2,29,33)(H,30,34)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	7.5	25
SANOFI US Patent					Assay Description "U"-bottomed Falcon plates are prepared by placing 5 uL of solutions of the compounds according to the invention at concentrations of 10, 1, 0.1, 0.0...				US Patent US9233965 (2016) BindingDB Entry DOI: 10.7270/Q2086443
					More data for this Ligand-Target Pair
Casein kinase I isoform epsilon (Homo sapiens (Human))	BDBM206923 (US9233965, 83) Show SMILES NC(=O)c1c2CN(CCn2c(Cl)c1-c1cccc(F)c1)C(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:26.29,wD:23.25,(5.19,2.57,;3.7,2.18,;2.61,3.26,;3.3,.69,;1.84,.21,;.51,.98,;-.83,.21,;-.83,-1.33,;.51,-2.1,;1.84,-1.33,;3.3,-1.8,;3.7,-3.29,;4.21,-.56,;5.75,-.56,;6.52,-1.89,;8.06,-1.89,;8.83,-.56,;8.06,.78,;8.83,2.11,;6.52,.78,;-2.16,.98,;-2.16,2.52,;-3.49,.21,;-4.83,.98,;-4.83,2.52,;-6.16,3.29,;-7.5,2.52,;-8.83,3.29,;-7.5,.98,;-6.16,.21,)| Show InChI InChI=1S/C21H24ClFN4O3/c22-19-17(12-2-1-3-13(23)10-12)18(20(24)29)16-11-26(8-9-27(16)19)21(30)25-14-4-6-15(28)7-5-14/h1-3,10,14-15,28H,4-9,11H2,(H2,24,29)(H,25,30)/t14-,15-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	7.5	25
SANOFI US Patent					Assay Description "U"-bottomed Falcon plates are prepared by placing 5 uL of solutions of the compounds according to the invention at concentrations of 10, 1, 0.1, 0.0...				US Patent US9233965 (2016) BindingDB Entry DOI: 10.7270/Q2086443
					More data for this Ligand-Target Pair
Casein kinase I isoform epsilon (Homo sapiens (Human))	BDBM207021 (US9233965, 108) Show SMILES NC(=O)c1c2CN(CCn2c(C#N)c1-c1cccc(F)c1)C(=O)NCCCC(F)(F)F Show InChI InChI=1S/C20H19F4N5O2/c21-13-4-1-3-12(9-13)16-14(10-25)29-8-7-28(11-15(29)17(16)18(26)30)19(31)27-6-2-5-20(22,23)24/h1,3-4,9H,2,5-8,11H2,(H2,26,30)(H,27,31)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	7.5	25
SANOFI US Patent					Assay Description "U"-bottomed Falcon plates are prepared by placing 5 uL of solutions of the compounds according to the invention at concentrations of 10, 1, 0.1, 0.0...				US Patent US9233965 (2016) BindingDB Entry DOI: 10.7270/Q2086443
					More data for this Ligand-Target Pair
Casein kinase I isoform epsilon (Homo sapiens (Human))	BDBM206935 (US9233965, 11) Show SMILES Cc1cccc(c1)-c1c(C2CC2)n2CCN(Cc2c1C(N)=O)C(=O)NC(C)(C)C Show InChI InChI=1S/C23H30N4O2/c1-14-6-5-7-16(12-14)18-19(21(24)28)17-13-26(22(29)25-23(2,3)4)10-11-27(17)20(18)15-8-9-15/h5-7,12,15H,8-11,13H2,1-4H3,(H2,24,28)(H,25,29)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	7.5	25
SANOFI US Patent					Assay Description "U"-bottomed Falcon plates are prepared by placing 5 uL of solutions of the compounds according to the invention at concentrations of 10, 1, 0.1, 0.0...				US Patent US9233965 (2016) BindingDB Entry DOI: 10.7270/Q2086443
					More data for this Ligand-Target Pair
Casein kinase I isoform epsilon (Homo sapiens (Human))	BDBM206951 (US9233965, 28) Show SMILES CN(C)c1ccc(cc1)-c1c(C2CC2)n2CCN(Cc2c1C(N)=O)C(=O)NC(C)(C)C Show InChI InChI=1S/C24H33N5O2/c1-24(2,3)26-23(31)28-11-12-29-18(14-28)20(22(25)30)19(21(29)15-9-10-15)16-7-6-8-17(13-16)27(4)5/h6-8,13,15H,9-12,14H2,1-5H3,(H2,25,30)(H,26,31)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	7.5	25
SANOFI US Patent					Assay Description "U"-bottomed Falcon plates are prepared by placing 5 uL of solutions of the compounds according to the invention at concentrations of 10, 1, 0.1, 0.0...				US Patent US9233965 (2016) BindingDB Entry DOI: 10.7270/Q2086443
					More data for this Ligand-Target Pair
Casein kinase I isoform epsilon (Homo sapiens (Human))	BDBM206955 (US9233965, 32) Show SMILES COc1cccc(c1)-c1c(C2CC2)n2CCN(Cc2c1C(N)=O)C(=O)NC(C)(C)C Show InChI InChI=1S/C23H30N4O3/c1-23(2,3)25-22(29)26-10-11-27-17(13-26)19(21(24)28)18(20(27)14-8-9-14)15-6-5-7-16(12-15)30-4/h5-7,12,14H,8-11,13H2,1-4H3,(H2,24,28)(H,25,29)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	7.5	25
SANOFI US Patent					Assay Description "U"-bottomed Falcon plates are prepared by placing 5 uL of solutions of the compounds according to the invention at concentrations of 10, 1, 0.1, 0.0...				US Patent US9233965 (2016) BindingDB Entry DOI: 10.7270/Q2086443
					More data for this Ligand-Target Pair
Casein kinase I isoform epsilon (Homo sapiens (Human))	BDBM206986 (US9233965, 55) Show SMILES COc1ccc(cc1)-c1c(C(N)=O)c2CN(CCn2c1C1CC1)C(=O)NCC12CC3CC(CC(C3)C1)C2 |TLB:26:27:30:33.34.32,THB:32:33:28:31.30.36,35:33:30:27.28.36,35:27:30:33.34.32| Show InChI InChI=1S/C30H38N4O3/c1-37-23-6-4-21(5-7-23)25-26(28(31)35)24-16-33(8-9-34(24)27(25)22-2-3-22)29(36)32-17-30-13-18-10-19(14-30)12-20(11-18)15-30/h4-7,18-20,22H,2-3,8-17H2,1H3,(H2,31,35)(H,32,36)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	7.5	25
SANOFI US Patent					Assay Description "U"-bottomed Falcon plates are prepared by placing 5 uL of solutions of the compounds according to the invention at concentrations of 10, 1, 0.1, 0.0...				US Patent US9233965 (2016) BindingDB Entry DOI: 10.7270/Q2086443
					More data for this Ligand-Target Pair
Casein kinase I isoform epsilon (Homo sapiens (Human))	BDBM206980 (US9233965, 61) Show SMILES Cc1cccc(c1)-c1c(Cl)n2CCN(Cc2c1C(N)=O)C(=O)NC(C)(C)C Show InChI InChI=1S/C20H25ClN4O2/c1-12-6-5-7-13(10-12)15-16(18(22)26)14-11-24(8-9-25(14)17(15)21)19(27)23-20(2,3)4/h5-7,10H,8-9,11H2,1-4H3,(H2,22,26)(H,23,27)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	7.5	25
SANOFI US Patent					Assay Description "U"-bottomed Falcon plates are prepared by placing 5 uL of solutions of the compounds according to the invention at concentrations of 10, 1, 0.1, 0.0...				US Patent US9233965 (2016) BindingDB Entry DOI: 10.7270/Q2086443
					More data for this Ligand-Target Pair
Casein kinase I isoform epsilon (Homo sapiens (Human))	BDBM206983 (US9233965, 66) Show SMILES CC(C)(C)NC(=O)N1CCn2c(Cl)c(c(C(N)=O)c2C1)-c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C20H22ClF3N4O2/c1-19(2,3)26-18(30)27-7-8-28-13(10-27)15(17(25)29)14(16(28)21)11-5-4-6-12(9-11)20(22,23)24/h4-6,9H,7-8,10H2,1-3H3,(H2,25,29)(H,26,30)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	7.5	25
SANOFI US Patent					Assay Description "U"-bottomed Falcon plates are prepared by placing 5 uL of solutions of the compounds according to the invention at concentrations of 10, 1, 0.1, 0.0...				US Patent US9233965 (2016) BindingDB Entry DOI: 10.7270/Q2086443
					More data for this Ligand-Target Pair
Casein kinase I isoform epsilon (Homo sapiens (Human))	BDBM206990 (US9233965, 70) Show SMILES CC(C)(C)CNC(=O)N1CCn2c(Cl)c(c(C(N)=O)c2C1)-c1ccccc1 Show InChI InChI=1S/C20H25ClN4O2/c1-20(2,3)12-23-19(27)24-9-10-25-14(11-24)16(18(22)26)15(17(25)21)13-7-5-4-6-8-13/h4-8H,9-12H2,1-3H3,(H2,22,26)(H,23,27)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	7.5	25
SANOFI US Patent					Assay Description "U"-bottomed Falcon plates are prepared by placing 5 uL of solutions of the compounds according to the invention at concentrations of 10, 1, 0.1, 0.0...				US Patent US9233965 (2016) BindingDB Entry DOI: 10.7270/Q2086443
					More data for this Ligand-Target Pair
Casein kinase I isoform epsilon (Homo sapiens (Human))	BDBM206991 (US9233965, 71) Show SMILES CCC(CC)CNC(=O)N1CCn2c(Cl)c(c(C(N)=O)c2C1)-c1ccccc1 Show InChI InChI=1S/C21H27ClN4O2/c1-3-14(4-2)12-24-21(28)25-10-11-26-16(13-25)18(20(23)27)17(19(26)22)15-8-6-5-7-9-15/h5-9,14H,3-4,10-13H2,1-2H3,(H2,23,27)(H,24,28)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	7.5	25
SANOFI US Patent					Assay Description "U"-bottomed Falcon plates are prepared by placing 5 uL of solutions of the compounds according to the invention at concentrations of 10, 1, 0.1, 0.0...				US Patent US9233965 (2016) BindingDB Entry DOI: 10.7270/Q2086443
					More data for this Ligand-Target Pair
Casein kinase I isoform epsilon (Homo sapiens (Human))	BDBM206995 (US9233965, 75) Show SMILES NC(=O)c1c2CN(CCn2c(Cl)c1-c1cccc(F)c1)C(=O)NCC1(CO)CC1 Show InChI InChI=1S/C20H22ClFN4O3/c21-17-15(12-2-1-3-13(22)8-12)16(18(23)28)14-9-25(6-7-26(14)17)19(29)24-10-20(11-27)4-5-20/h1-3,8,27H,4-7,9-11H2,(H2,23,28)(H,24,29)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	7.5	25
SANOFI US Patent					Assay Description "U"-bottomed Falcon plates are prepared by placing 5 uL of solutions of the compounds according to the invention at concentrations of 10, 1, 0.1, 0.0...				US Patent US9233965 (2016) BindingDB Entry DOI: 10.7270/Q2086443
					More data for this Ligand-Target Pair
Casein kinase I isoform epsilon (Homo sapiens (Human))	BDBM207000 (US9233965, 82) Show SMILES NC(=O)c1c2CN(CCn2c(Cl)c1-c1ccccc1)C(=O)NC1CCCCC1 Show InChI InChI=1S/C21H25ClN4O2/c22-19-17(14-7-3-1-4-8-14)18(20(23)27)16-13-25(11-12-26(16)19)21(28)24-15-9-5-2-6-10-15/h1,3-4,7-8,15H,2,5-6,9-13H2,(H2,23,27)(H,24,28)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	7.5	25
SANOFI US Patent					Assay Description "U"-bottomed Falcon plates are prepared by placing 5 uL of solutions of the compounds according to the invention at concentrations of 10, 1, 0.1, 0.0...				US Patent US9233965 (2016) BindingDB Entry DOI: 10.7270/Q2086443
					More data for this Ligand-Target Pair
Casein kinase I isoform epsilon (Homo sapiens (Human))	BDBM207004 (US9233965, 88) Show SMILES NC(=O)c1c2CN(CCn2c(Cl)c1-c1ccccc1)C(=O)NC12CCC(C1)C=C2 |c:31| Show InChI InChI=1S/C22H23ClN4O2/c23-19-17(15-4-2-1-3-5-15)18(20(24)28)16-13-26(10-11-27(16)19)21(29)25-22-8-6-14(12-22)7-9-22/h1-6,8,14H,7,9-13H2,(H2,24,28)(H,25,29)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	7.5	25
SANOFI US Patent					Assay Description "U"-bottomed Falcon plates are prepared by placing 5 uL of solutions of the compounds according to the invention at concentrations of 10, 1, 0.1, 0.0...				US Patent US9233965 (2016) BindingDB Entry DOI: 10.7270/Q2086443
					More data for this Ligand-Target Pair
Casein kinase I isoform epsilon (Homo sapiens (Human))	BDBM207007 (US9233965, 91) Show SMILES CC1(CNC(=O)N2CCn3c(Cl)c(c(C(N)=O)c3C2)-c2cccc(F)c2)COC1 Show InChI InChI=1S/C20H22ClFN4O3/c1-20(10-29-11-20)9-24-19(28)25-5-6-26-14(8-25)16(18(23)27)15(17(26)21)12-3-2-4-13(22)7-12/h2-4,7H,5-6,8-11H2,1H3,(H2,23,27)(H,24,28)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	7.5	25
SANOFI US Patent					Assay Description "U"-bottomed Falcon plates are prepared by placing 5 uL of solutions of the compounds according to the invention at concentrations of 10, 1, 0.1, 0.0...				US Patent US9233965 (2016) BindingDB Entry DOI: 10.7270/Q2086443
					More data for this Ligand-Target Pair
Casein kinase I isoform epsilon (Homo sapiens (Human))	BDBM207014 (US9233965, 99) Show SMILES CC1(C)CC(CCO1)NC(=O)N1CCn2c(Cl)c(c(C(N)=O)c2C1)-c1cccc(F)c1 Show InChI InChI=1S/C22H26ClFN4O3/c1-22(2)11-15(6-9-31-22)26-21(30)27-7-8-28-16(12-27)18(20(25)29)17(19(28)23)13-4-3-5-14(24)10-13/h3-5,10,15H,6-9,11-12H2,1-2H3,(H2,25,29)(H,26,30)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	7.5	25
SANOFI US Patent					Assay Description "U"-bottomed Falcon plates are prepared by placing 5 uL of solutions of the compounds according to the invention at concentrations of 10, 1, 0.1, 0.0...				US Patent US9233965 (2016) BindingDB Entry DOI: 10.7270/Q2086443
					More data for this Ligand-Target Pair
Casein kinase I isoform epsilon (Homo sapiens (Human))	BDBM206996 (US9233965, 77) Show SMILES NC(=O)c1c2CN(CCn2c(Cl)c1-c1cccc(F)c1)C(=O)NCC(F)(F)F Show InChI InChI=1S/C17H15ClF4N4O2/c18-14-12(9-2-1-3-10(19)6-9)13(15(23)27)11-7-25(4-5-26(11)14)16(28)24-8-17(20,21)22/h1-3,6H,4-5,7-8H2,(H2,23,27)(H,24,28)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	7.5	25
SANOFI US Patent					Assay Description "U"-bottomed Falcon plates are prepared by placing 5 uL of solutions of the compounds according to the invention at concentrations of 10, 1, 0.1, 0.0...				US Patent US9233965 (2016) BindingDB Entry DOI: 10.7270/Q2086443
					More data for this Ligand-Target Pair
Casein kinase I isoform epsilon (Homo sapiens (Human))	BDBM206989 (US9233965, 69) Show SMILES CC(C)CCNC(=O)N1CCn2c(Cl)c(c(C(N)=O)c2C1)-c1ccccc1 Show InChI InChI=1S/C20H25ClN4O2/c1-13(2)8-9-23-20(27)24-10-11-25-15(12-24)17(19(22)26)16(18(25)21)14-6-4-3-5-7-14/h3-7,13H,8-12H2,1-2H3,(H2,22,26)(H,23,27)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	7.5	25
SANOFI US Patent					Assay Description "U"-bottomed Falcon plates are prepared by placing 5 uL of solutions of the compounds according to the invention at concentrations of 10, 1, 0.1, 0.0...				US Patent US9233965 (2016) BindingDB Entry DOI: 10.7270/Q2086443
					More data for this Ligand-Target Pair
Casein kinase I isoform epsilon (Homo sapiens (Human))	BDBM206987 (US9233965, 54) Show SMILES NC(=O)c1c2CN(CCn2c(C2CC2)c1-c1ccccc1)C(=O)NCC12CC3CC(CC(C3)C1)C2 |TLB:24:25:28:31.32.30,THB:33:31:28:25.26.34,33:25:28:31.32.30,30:31:26:29.28.34| Show InChI InChI=1S/C29H36N4O2/c30-27(34)25-23-16-32(28(35)31-17-29-13-18-10-19(14-29)12-20(11-18)15-29)8-9-33(23)26(22-6-7-22)24(25)21-4-2-1-3-5-21/h1-5,18-20,22H,6-17H2,(H2,30,34)(H,31,35)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6	n/a	n/a	n/a	n/a	7.5	25
SANOFI US Patent					Assay Description "U"-bottomed Falcon plates are prepared by placing 5 uL of solutions of the compounds according to the invention at concentrations of 10, 1, 0.1, 0.0...				US Patent US9233965 (2016) BindingDB Entry DOI: 10.7270/Q2086443
					More data for this Ligand-Target Pair
Casein kinase I isoform epsilon (Homo sapiens (Human))	BDBM206994 (US9233965, 74) Show SMILES CC(C)(CO)CNC(=O)N1CCn2c(Cl)c(c(C(N)=O)c2C1)-c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C21H24ClF3N4O3/c1-20(2,11-30)10-27-19(32)28-6-7-29-14(9-28)16(18(26)31)15(17(29)22)12-4-3-5-13(8-12)21(23,24)25/h3-5,8,30H,6-7,9-11H2,1-2H3,(H2,26,31)(H,27,32)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6	n/a	n/a	n/a	n/a	7.5	25
SANOFI US Patent					Assay Description "U"-bottomed Falcon plates are prepared by placing 5 uL of solutions of the compounds according to the invention at concentrations of 10, 1, 0.1, 0.0...				US Patent US9233965 (2016) BindingDB Entry DOI: 10.7270/Q2086443
					More data for this Ligand-Target Pair
Casein kinase I isoform epsilon (Homo sapiens (Human))	BDBM207006 (US9233965, 90) Show SMILES NC(=O)c1c2CN(CCn2c(Cl)c1-c1cccc(F)c1)C(=O)NC1COC1 Show InChI InChI=1S/C18H18ClFN4O3/c19-16-14(10-2-1-3-11(20)6-10)15(17(21)25)13-7-23(4-5-24(13)16)18(26)22-12-8-27-9-12/h1-3,6,12H,4-5,7-9H2,(H2,21,25)(H,22,26)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6	n/a	n/a	n/a	n/a	7.5	25
SANOFI US Patent					Assay Description "U"-bottomed Falcon plates are prepared by placing 5 uL of solutions of the compounds according to the invention at concentrations of 10, 1, 0.1, 0.0...				US Patent US9233965 (2016) BindingDB Entry DOI: 10.7270/Q2086443
					More data for this Ligand-Target Pair
Casein kinase I isoform epsilon (Homo sapiens (Human))	BDBM206993 (US9233965, 73) Show SMILES CC(C)(CO)CNC(=O)N1CCn2c(Cl)c(c(C(N)=O)c2C1)-c1cccc(F)c1 Show InChI InChI=1S/C20H24ClFN4O3/c1-20(2,11-27)10-24-19(29)25-6-7-26-14(9-25)16(18(23)28)15(17(26)21)12-4-3-5-13(22)8-12/h3-5,8,27H,6-7,9-11H2,1-2H3,(H2,23,28)(H,24,29)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6	n/a	n/a	n/a	n/a	7.5	25
SANOFI US Patent					Assay Description "U"-bottomed Falcon plates are prepared by placing 5 uL of solutions of the compounds according to the invention at concentrations of 10, 1, 0.1, 0.0...				US Patent US9233965 (2016) BindingDB Entry DOI: 10.7270/Q2086443
					More data for this Ligand-Target Pair
Casein kinase I isoform epsilon (Homo sapiens (Human))	BDBM206916 (US9233965, 95) Show SMILES NC(=O)c1c2CN(CCn2c(Cl)c1-c1cccc(c1)C#N)C(=O)NC1CCOCC1 Show InChI InChI=1S/C21H22ClN5O3/c22-19-17(14-3-1-2-13(10-14)11-23)18(20(24)28)16-12-26(6-7-27(16)19)21(29)25-15-4-8-30-9-5-15/h1-3,10,15H,4-9,12H2,(H2,24,28)(H,25,29)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6	n/a	n/a	n/a	n/a	7.5	25
SANOFI US Patent					Assay Description "U"-bottomed Falcon plates are prepared by placing 5 uL of solutions of the compounds according to the invention at concentrations of 10, 1, 0.1, 0.0...				US Patent US9233965 (2016) BindingDB Entry DOI: 10.7270/Q2086443
					More data for this Ligand-Target Pair
Casein kinase I isoform epsilon (Homo sapiens (Human))	BDBM206917 (US9233965, 60) Show SMILES CC(C)(C)NC(=O)N1CCn2c(Cl)c(c(C(N)=O)c2C1)-c1ccccc1 Show InChI InChI=1S/C19H23ClN4O2/c1-19(2,3)22-18(26)23-9-10-24-13(11-23)15(17(21)25)14(16(24)20)12-7-5-4-6-8-12/h4-8H,9-11H2,1-3H3,(H2,21,25)(H,22,26)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7	n/a	n/a	n/a	n/a	7.5	25
SANOFI US Patent					Assay Description "U"-bottomed Falcon plates are prepared by placing 5 uL of solutions of the compounds according to the invention at concentrations of 10, 1, 0.1, 0.0...				US Patent US9233965 (2016) BindingDB Entry DOI: 10.7270/Q2086443
					More data for this Ligand-Target Pair
Casein kinase I isoform epsilon (Homo sapiens (Human))	BDBM206985 (US9233965, 53) Show SMILES COc1ccc(cc1)-c1c(C(N)=O)c2CN(CCn2c1C1CC1)C(=O)NCC12CC3CC1CC(C2)C3 |TLB:30:29:34:31.32,THB:30:31:34:29.28.35,32:31:28:33.34.35,32:33:28:31.30| Show InChI InChI=1S/C29H36N4O3/c1-36-22-6-4-19(5-7-22)24-25(27(30)34)23-15-32(8-9-33(23)26(24)20-2-3-20)28(35)31-16-29-13-17-10-18(14-29)12-21(29)11-17/h4-7,17-18,20-21H,2-3,8-16H2,1H3,(H2,30,34)(H,31,35)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7	n/a	n/a	n/a	n/a	7.5	25
SANOFI US Patent					Assay Description "U"-bottomed Falcon plates are prepared by placing 5 uL of solutions of the compounds according to the invention at concentrations of 10, 1, 0.1, 0.0...				US Patent US9233965 (2016) BindingDB Entry DOI: 10.7270/Q2086443
					More data for this Ligand-Target Pair
Casein kinase I isoform epsilon (Homo sapiens (Human))	BDBM206969 (US9233965, 46) Show SMILES CC(C)(C)NC(=O)N1CCn2c(C1)c(C(N)=O)c(c2C1CC1)-c1cccc(F)c1 Show InChI InChI=1S/C22H27FN4O2/c1-22(2,3)25-21(29)26-9-10-27-16(12-26)18(20(24)28)17(19(27)13-7-8-13)14-5-4-6-15(23)11-14/h4-6,11,13H,7-10,12H2,1-3H3,(H2,24,28)(H,25,29)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8	n/a	n/a	n/a	n/a	7.5	25
SANOFI US Patent					Assay Description "U"-bottomed Falcon plates are prepared by placing 5 uL of solutions of the compounds according to the invention at concentrations of 10, 1, 0.1, 0.0...				US Patent US9233965 (2016) BindingDB Entry DOI: 10.7270/Q2086443
					More data for this Ligand-Target Pair
Casein kinase I isoform epsilon (Homo sapiens (Human))	BDBM207017 (US9233965, 102) Show SMILES NC(=O)c1c2CN(CCn2c(Cl)c1-c1cccc(F)c1)C(=O)NC1CCS(=O)(=O)C1 Show InChI InChI=1S/C19H20ClFN4O4S/c20-17-15(11-2-1-3-12(21)8-11)16(18(22)26)14-9-24(5-6-25(14)17)19(27)23-13-4-7-30(28,29)10-13/h1-3,8,13H,4-7,9-10H2,(H2,22,26)(H,23,27)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8	n/a	n/a	n/a	n/a	7.5	25
SANOFI US Patent					Assay Description "U"-bottomed Falcon plates are prepared by placing 5 uL of solutions of the compounds according to the invention at concentrations of 10, 1, 0.1, 0.0...				US Patent US9233965 (2016) BindingDB Entry DOI: 10.7270/Q2086443
					More data for this Ligand-Target Pair
Casein kinase I isoform epsilon (Homo sapiens (Human))	BDBM207013 (US9233965, 98) Show SMILES NC(=O)c1c2CN(CCn2c(Cl)c1-c1cccc(F)c1)C(=O)NC1CCOCC1 Show InChI InChI=1S/C20H22ClFN4O3/c21-18-16(12-2-1-3-13(22)10-12)17(19(23)27)15-11-25(6-7-26(15)18)20(28)24-14-4-8-29-9-5-14/h1-3,10,14H,4-9,11H2,(H2,23,27)(H,24,28)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9	n/a	n/a	n/a	n/a	7.5	25
SANOFI US Patent					Assay Description "U"-bottomed Falcon plates are prepared by placing 5 uL of solutions of the compounds according to the invention at concentrations of 10, 1, 0.1, 0.0...				US Patent US9233965 (2016) BindingDB Entry DOI: 10.7270/Q2086443
					More data for this Ligand-Target Pair
Casein kinase I isoform epsilon (Homo sapiens (Human))	BDBM207022 (US9233965, 109) Show SMILES NC(=O)c1c2CN(CCn2c(C#N)c1-c1cccc(F)c1)C(=O)NC1CCOCC1 Show InChI InChI=1S/C21H22FN5O3/c22-14-3-1-2-13(10-14)18-16(11-23)27-7-6-26(12-17(27)19(18)20(24)28)21(29)25-15-4-8-30-9-5-15/h1-3,10,15H,4-9,12H2,(H2,24,28)(H,25,29)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9	n/a	n/a	n/a	n/a	7.5	25
SANOFI US Patent					Assay Description "U"-bottomed Falcon plates are prepared by placing 5 uL of solutions of the compounds according to the invention at concentrations of 10, 1, 0.1, 0.0...				US Patent US9233965 (2016) BindingDB Entry DOI: 10.7270/Q2086443
					More data for this Ligand-Target Pair

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