Compile Data Set for Download or QSAR

Found 206 hits with Last Name = 'marguet' and Initial = 'f'   

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
Translocator protein (Rattus norvegicus (rat))	BDBM50210860 (CHEMBL3936390) Show SMILES CCCN(C)C(=O)Cc1c(nn2c(C)cc(C)nc12)-c1ccc(CCCF)cc1 Show InChI InChI=1S/C23H29FN4O/c1-5-13-27(4)21(29)15-20-22(19-10-8-18(9-11-19)7-6-12-24)26-28-17(3)14-16(2)25-23(20)28/h8-11,14H,5-7,12-13,15H2,1-4H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	0.25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
France; Inserm/CEA/Universit£ Paris Sud Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from TSPO in rat heart membranes after 15 mins by scintillation counting method				Eur J Med Chem 125: 346-359 (2017) Article DOI: 10.1016/j.ejmech.2016.09.025 BindingDB Entry DOI: 10.7270/Q2TH8PVR
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50210866 (CHEMBL3979767) Show SMILES CCCN(CCC)C(=O)Cc1c(nn2c(C)cc(C)nc12)-c1ccc(CCCF)cc1 Show InChI InChI=1S/C25H33FN4O/c1-5-14-29(15-6-2)23(31)17-22-24(21-11-9-20(10-12-21)8-7-13-26)28-30-19(4)16-18(3)27-25(22)30/h9-12,16H,5-8,13-15,17H2,1-4H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
France; Inserm/CEA/Universit£ Paris Sud Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from TSPO in rat heart membranes after 15 mins by scintillation counting method				Eur J Med Chem 125: 346-359 (2017) Article DOI: 10.1016/j.ejmech.2016.09.025 BindingDB Entry DOI: 10.7270/Q2TH8PVR
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50210858 (CHEMBL3906952) Show SMILES CN(Cc1ccccc1)C(=O)Cc1c(nn2c(C)cc(C)nc12)-c1ccc(CCCF)cc1 Show InChI InChI=1S/C27H29FN4O/c1-19-16-20(2)32-27(29-19)24(17-25(33)31(3)18-22-8-5-4-6-9-22)26(30-32)23-13-11-21(12-14-23)10-7-15-28/h4-6,8-9,11-14,16H,7,10,15,17-18H2,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
France; Inserm/CEA/Universit£ Paris Sud Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from TSPO in rat heart membranes after 15 mins by scintillation counting method				Eur J Med Chem 125: 346-359 (2017) Article DOI: 10.1016/j.ejmech.2016.09.025 BindingDB Entry DOI: 10.7270/Q2TH8PVR
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50117259 (CHEMBL3613363) Show SMILES CN(C)C(=O)Cc1nn(-c2ccc(OCC#CCF)cc2)c(=O)c2n(C)c3cc(Cl)ccc3c12 Show InChI InChI=1S/C25H22ClFN4O3/c1-29(2)22(32)15-20-23-19-11-6-16(26)14-21(19)30(3)24(23)25(33)31(28-20)17-7-9-18(10-8-17)34-13-5-4-12-27/h6-11,14H,12-13,15H2,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
France; Inserm / CEA / Universit£ Paris Sud Curated by ChEMBL					Assay Description Displacement of [3H]-PK11195 from rat heart membrane TSPO				Eur J Med Chem 101: 736-45 (2015) Article DOI: 10.1016/j.ejmech.2015.07.033 BindingDB Entry DOI: 10.7270/Q26H4K6W
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50005293 (CHEMBL3125363) Show SMILES CCN(CC)C(=O)Cc1c(nn2c(C)cc(C)nc12)-c1ccc(cc1)C#CCCCF Show InChI InChI=1S/C25H29FN4O/c1-5-29(6-2)23(31)17-22-24(28-30-19(4)16-18(3)27-25(22)30)21-13-11-20(12-14-21)10-8-7-9-15-26/h11-14,16H,5-7,9,15,17H2,1-4H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.350	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CEA Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from TSPO in rat heart membrane homogenates				Bioorg Med Chem Lett 24: 1550-6 (2014) Article DOI: 10.1016/j.bmcl.2014.01.080 BindingDB Entry DOI: 10.7270/Q29S1SJD
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50243008 (CHEMBL469682 | N,N-Diethyl-2-(2-(4-(3-fluoropropox...) Show SMILES CCN(CC)C(=O)Cc1c(nn2c(C)cc(C)nc12)-c1ccc(OCCCF)cc1 Show InChI InChI=1S/C23H29FN4O2/c1-5-27(6-2)21(29)15-20-22(26-28-17(4)14-16(3)25-23(20)28)18-8-10-19(11-9-18)30-13-7-12-24/h8-11,14H,5-7,12-13,15H2,1-4H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.370	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
France; Inserm/CEA/Universit£ Paris Sud Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from TSPO in rat heart membranes after 15 mins by scintillation counting method				Eur J Med Chem 125: 346-359 (2017) Article DOI: 10.1016/j.ejmech.2016.09.025 BindingDB Entry DOI: 10.7270/Q2TH8PVR
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50117212 (CHEMBL3613360) Show SMILES CN(C)C(=O)Cc1nn(-c2ccc(OCCCF)cc2)c(=O)c2n(C)c3cc(Cl)ccc3c12 Show InChI InChI=1S/C24H24ClFN4O3/c1-28(2)21(31)14-19-22-18-10-5-15(25)13-20(18)29(3)23(22)24(32)30(27-19)16-6-8-17(9-7-16)33-12-4-11-26/h5-10,13H,4,11-12,14H2,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
France; Inserm / CEA / Universit£ Paris Sud Curated by ChEMBL					Assay Description Displacement of [3H]-PK11195 from rat heart membrane TSPO				Eur J Med Chem 101: 736-45 (2015) Article DOI: 10.1016/j.ejmech.2015.07.033 BindingDB Entry DOI: 10.7270/Q26H4K6W
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50117211 (CHEMBL3613361) Show SMILES CN(C)C(=O)Cc1nn(-c2ccc(OCCCCF)cc2)c(=O)c2n(C)c3cc(Cl)ccc3c12 Show InChI InChI=1S/C25H26ClFN4O3/c1-29(2)22(32)15-20-23-19-11-6-16(26)14-21(19)30(3)24(23)25(33)31(28-20)17-7-9-18(10-8-17)34-13-5-4-12-27/h6-11,14H,4-5,12-13,15H2,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.420	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
France; Inserm / CEA / Universit£ Paris Sud Curated by ChEMBL					Assay Description Displacement of [3H]-PK11195 from rat heart membrane TSPO				Eur J Med Chem 101: 736-45 (2015) Article DOI: 10.1016/j.ejmech.2015.07.033 BindingDB Entry DOI: 10.7270/Q26H4K6W
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50005295 (CHEMBL3125361) Show SMILES CCN(CC)C(=O)Cc1c(nn2c(C)cc(C)nc12)-c1ccc(cc1)C#CCF Show InChI InChI=1S/C23H25FN4O/c1-5-27(6-2)21(29)15-20-22(19-11-9-18(10-12-19)8-7-13-24)26-28-17(4)14-16(3)25-23(20)28/h9-12,14H,5-6,13,15H2,1-4H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.540	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CEA Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from TSPO in rat heart membrane homogenates				Bioorg Med Chem Lett 24: 1550-6 (2014) Article DOI: 10.1016/j.bmcl.2014.01.080 BindingDB Entry DOI: 10.7270/Q29S1SJD
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50117258 (CHEMBL3613358) Show SMILES COc1ccc(cc1)-n1nc(CC(=O)N(C)C)c2c3ccc(Cl)cc3n(C)c2c1=O Show InChI InChI=1S/C22H21ClN4O3/c1-25(2)19(28)12-17-20-16-10-5-13(23)11-18(16)26(3)21(20)22(29)27(24-17)14-6-8-15(30-4)9-7-14/h5-11H,12H2,1-4H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.680	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
France; Inserm / CEA / Universit£ Paris Sud Curated by ChEMBL					Assay Description Displacement of [3H]-PK11195 from rat heart membrane TSPO				Eur J Med Chem 101: 736-45 (2015) Article DOI: 10.1016/j.ejmech.2015.07.033 BindingDB Entry DOI: 10.7270/Q26H4K6W
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50005294 (CHEMBL3125362) Show SMILES CCN(CC)C(=O)Cc1c(nn2c(C)cc(C)nc12)-c1ccc(cc1)C#CCCF Show InChI InChI=1S/C24H27FN4O/c1-5-28(6-2)22(30)16-21-23(27-29-18(4)15-17(3)26-24(21)29)20-12-10-19(11-13-20)9-7-8-14-25/h10-13,15H,5-6,8,14,16H2,1-4H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.740	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CEA Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from TSPO in rat heart membrane homogenates				Bioorg Med Chem Lett 24: 1550-6 (2014) Article DOI: 10.1016/j.bmcl.2014.01.080 BindingDB Entry DOI: 10.7270/Q29S1SJD
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50005292 (CHEMBL3125364) Show SMILES CCN(CC)C(=O)Cc1c(nn2c(C)cc(C)nc12)-c1ccc(cc1)C#CCCCCF Show InChI InChI=1S/C26H31FN4O/c1-5-30(6-2)24(32)18-23-25(29-31-20(4)17-19(3)28-26(23)31)22-14-12-21(13-15-22)11-9-7-8-10-16-27/h12-15,17H,5-8,10,16,18H2,1-4H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.790	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CEA Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from TSPO in rat heart membrane homogenates				Bioorg Med Chem Lett 24: 1550-6 (2014) Article DOI: 10.1016/j.bmcl.2014.01.080 BindingDB Entry DOI: 10.7270/Q29S1SJD
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50255226 ((7-chloro-N,N,5-trimethyl-4-oxo-3-phenyl-3,5-dihyd...) Show SMILES CN(C)C(=O)Cc1nn(-c2ccccc2)c(=O)c2n(C)c3cc(Cl)ccc3c12 Show InChI InChI=1S/C21H19ClN4O2/c1-24(2)18(27)12-16-19-15-10-9-13(22)11-17(15)25(3)20(19)21(28)26(23-16)14-7-5-4-6-8-14/h4-11H,12H2,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	0.830	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
France; Inserm / CEA / Universit£ Paris Sud Curated by ChEMBL					Assay Description Displacement of [3H]-PK11195 from rat heart membrane TSPO				Eur J Med Chem 101: 736-45 (2015) Article DOI: 10.1016/j.ejmech.2015.07.033 BindingDB Entry DOI: 10.7270/Q26H4K6W
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50243007 (2-(2-(4-(2-Fluoroethoxy)phenyl)-5,7-dimethylpyrazo...) Show SMILES CCN(CC)C(=O)Cc1c(nn2c(C)cc(C)nc12)-c1ccc(OCCF)cc1 Show InChI InChI=1S/C22H27FN4O2/c1-5-26(6-2)20(28)14-19-21(17-7-9-18(10-8-17)29-12-11-23)25-27-16(4)13-15(3)24-22(19)27/h7-10,13H,5-6,11-12,14H2,1-4H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.910	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
France; Inserm/CEA/Universit£ Paris Sud Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from TSPO in rat heart membranes after 15 mins by scintillation counting method				Eur J Med Chem 125: 346-359 (2017) Article DOI: 10.1016/j.ejmech.2016.09.025 BindingDB Entry DOI: 10.7270/Q2TH8PVR
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50243007 (2-(2-(4-(2-Fluoroethoxy)phenyl)-5,7-dimethylpyrazo...) Show SMILES CCN(CC)C(=O)Cc1c(nn2c(C)cc(C)nc12)-c1ccc(OCCF)cc1 Show InChI InChI=1S/C22H27FN4O2/c1-5-26(6-2)20(28)14-19-21(17-7-9-18(10-8-17)29-12-11-23)25-27-16(4)13-15(3)24-22(19)27/h7-10,13H,5-6,11-12,14H2,1-4H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.910	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CEA Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from TSPO in rat heart membrane homogenates				Bioorg Med Chem Lett 24: 1550-6 (2014) Article DOI: 10.1016/j.bmcl.2014.01.080 BindingDB Entry DOI: 10.7270/Q29S1SJD
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50117265 (CHEMBL3613362) Show SMILES CN(C)C(=O)Cc1nn(-c2ccc(OC\C=C\CF)cc2)c(=O)c2n(C)c3cc(Cl)ccc3c12 Show InChI InChI=1S/C25H24ClFN4O3/c1-29(2)22(32)15-20-23-19-11-6-16(26)14-21(19)30(3)24(23)25(33)31(28-20)17-7-9-18(10-8-17)34-13-5-4-12-27/h4-11,14H,12-13,15H2,1-3H3/b5-4+	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.960	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
France; Inserm / CEA / Universit£ Paris Sud Curated by ChEMBL					Assay Description Displacement of [3H]-PK11195 from rat heart membrane TSPO				Eur J Med Chem 101: 736-45 (2015) Article DOI: 10.1016/j.ejmech.2015.07.033 BindingDB Entry DOI: 10.7270/Q26H4K6W
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50210857 (CHEMBL3938340) Show SMILES CN(CCc1ccccc1)C(=O)Cc1c(nn2c(C)cc(C)nc12)-c1ccc(CCCF)cc1 Show InChI InChI=1S/C28H31FN4O/c1-20-18-21(2)33-28(30-20)25(19-26(34)32(3)17-15-22-8-5-4-6-9-22)27(31-33)24-13-11-23(12-14-24)10-7-16-29/h4-6,8-9,11-14,18H,7,10,15-17,19H2,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL 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
France; Inserm/CEA/Universit£ Paris Sud Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from TSPO in rat heart membranes after 15 mins by scintillation counting method				Eur J Med Chem 125: 346-359 (2017) Article DOI: 10.1016/j.ejmech.2016.09.025 BindingDB Entry DOI: 10.7270/Q2TH8PVR
					More data for this Ligand-Target Pair
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
Translocator protein (Rattus norvegicus (rat))	BDBM50210864 (CHEMBL3960249) Show SMILES CN(Cc1ccccn1)C(=O)Cc1c(nn2c(C)cc(C)nc12)-c1ccc(CCCF)cc1 Show InChI InChI=1S/C26H28FN5O/c1-18-15-19(2)32-26(29-18)23(16-24(33)31(3)17-22-8-4-5-14-28-22)25(30-32)21-11-9-20(10-12-21)7-6-13-27/h4-5,8-12,14-15H,6-7,13,16-17H2,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
France; Inserm/CEA/Universit£ Paris Sud Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from TSPO in rat heart membranes after 15 mins by scintillation counting method				Eur J Med Chem 125: 346-359 (2017) Article DOI: 10.1016/j.ejmech.2016.09.025 BindingDB Entry DOI: 10.7270/Q2TH8PVR
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50117210 (CHEMBL3613359) Show SMILES CN(C)C(=O)Cc1nn(-c2ccc(OCCF)cc2)c(=O)c2n(C)c3cc(Cl)ccc3c12 Show InChI InChI=1S/C23H22ClFN4O3/c1-27(2)20(30)13-18-21-17-9-4-14(24)12-19(17)28(3)22(21)23(31)29(26-18)15-5-7-16(8-6-15)32-11-10-25/h4-9,12H,10-11,13H2,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
France; Inserm / CEA / Universit£ Paris Sud Curated by ChEMBL					Assay Description Displacement of [3H]-PK11195 from rat heart membrane TSPO				Eur J Med Chem 101: 736-45 (2015) Article DOI: 10.1016/j.ejmech.2015.07.033 BindingDB Entry DOI: 10.7270/Q26H4K6W
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50117266 (CHEMBL3613365) Show SMILES CN(C)C(=O)Cc1nn(-c2ccc(OCCOCCOCCF)cc2)c(=O)c2n(C)c3cc(Cl)ccc3c12 Show InChI InChI=1S/C27H30ClFN4O5/c1-31(2)24(34)17-22-25-21-9-4-18(28)16-23(21)32(3)26(25)27(35)33(30-22)19-5-7-20(8-6-19)38-15-14-37-13-12-36-11-10-29/h4-9,16H,10-15,17H2,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
France; Inserm / CEA / Universit£ Paris Sud Curated by ChEMBL					Assay Description Displacement of [3H]-PK11195 from rat heart membrane TSPO				Eur J Med Chem 101: 736-45 (2015) Article DOI: 10.1016/j.ejmech.2015.07.033 BindingDB Entry DOI: 10.7270/Q26H4K6W
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50210867 (CHEMBL3923539) Show SMILES Cc1cc(C)n2nc(c(CC(=O)N3CCCCC3)c2n1)-c1ccc(CCCF)cc1 Show InChI InChI=1S/C24H29FN4O/c1-17-15-18(2)29-24(26-17)21(16-22(30)28-13-4-3-5-14-28)23(27-29)20-10-8-19(9-11-20)7-6-12-25/h8-11,15H,3-7,12-14,16H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
France; Inserm/CEA/Universit£ Paris Sud Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from TSPO in rat heart membranes after 15 mins by scintillation counting method				Eur J Med Chem 125: 346-359 (2017) Article DOI: 10.1016/j.ejmech.2016.09.025 BindingDB Entry DOI: 10.7270/Q2TH8PVR
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50210863 (CHEMBL3929294) Show SMILES CN(Cc1cccnc1)C(=O)Cc1c(nn2c(C)cc(C)nc12)-c1ccc(CCCF)cc1 Show InChI InChI=1S/C26H28FN5O/c1-18-14-19(2)32-26(29-18)23(15-24(33)31(3)17-21-7-5-13-28-16-21)25(30-32)22-10-8-20(9-11-22)6-4-12-27/h5,7-11,13-14,16H,4,6,12,15,17H2,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
France; Inserm/CEA/Universit£ Paris Sud Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from TSPO in rat heart membranes after 15 mins by scintillation counting method				Eur J Med Chem 125: 346-359 (2017) Article DOI: 10.1016/j.ejmech.2016.09.025 BindingDB Entry DOI: 10.7270/Q2TH8PVR
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50117213 (CHEMBL3613366) Show SMILES CN(C)C(=O)Cc1nn(-c2ccccc2)c(=O)c2n(CCF)c3cc(Cl)ccc3c12 Show InChI InChI=1S/C22H20ClFN4O2/c1-26(2)19(29)13-17-20-16-9-8-14(23)12-18(16)27(11-10-24)21(20)22(30)28(25-17)15-6-4-3-5-7-15/h3-9,12H,10-11,13H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
France; Inserm / CEA / Universit£ Paris Sud Curated by ChEMBL					Assay Description Displacement of [3H]-PK11195 from rat heart membrane TSPO				Eur J Med Chem 101: 736-45 (2015) Article DOI: 10.1016/j.ejmech.2015.07.033 BindingDB Entry DOI: 10.7270/Q26H4K6W
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50117205 (CHEMBL3613370) Show SMILES CN(C)C(=O)Cc1nn(-c2ccccc2)c(=O)c2n(CC#CCF)c3cc(Cl)ccc3c12 Show InChI InChI=1S/C24H20ClFN4O2/c1-28(2)21(31)15-19-22-18-11-10-16(25)14-20(18)29(13-7-6-12-26)23(22)24(32)30(27-19)17-8-4-3-5-9-17/h3-5,8-11,14H,12-13,15H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
France; Inserm / CEA / Universit£ Paris Sud Curated by ChEMBL					Assay Description Displacement of [3H]-PK11195 from rat heart membrane TSPO				Eur J Med Chem 101: 736-45 (2015) Article DOI: 10.1016/j.ejmech.2015.07.033 BindingDB Entry DOI: 10.7270/Q26H4K6W
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50117267 (CHEMBL3613364) Show SMILES CN(C)C(=O)Cc1nn(-c2ccc(OCCOCCF)cc2)c(=O)c2n(C)c3cc(Cl)ccc3c12 Show InChI InChI=1S/C25H26ClFN4O4/c1-29(2)22(32)15-20-23-19-9-4-16(26)14-21(19)30(3)24(23)25(33)31(28-20)17-5-7-18(8-6-17)35-13-12-34-11-10-27/h4-9,14H,10-13,15H2,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
France; Inserm / CEA / Universit£ Paris Sud Curated by ChEMBL					Assay Description Displacement of [3H]-PK11195 from rat heart membrane TSPO				Eur J Med Chem 101: 736-45 (2015) Article DOI: 10.1016/j.ejmech.2015.07.033 BindingDB Entry DOI: 10.7270/Q26H4K6W
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50117206 (CHEMBL3613369) Show SMILES CN(C)C(=O)Cc1nn(-c2ccccc2)c(=O)c2n(C\C=C\CF)c3cc(Cl)ccc3c12 Show InChI InChI=1S/C24H22ClFN4O2/c1-28(2)21(31)15-19-22-18-11-10-16(25)14-20(18)29(13-7-6-12-26)23(22)24(32)30(27-19)17-8-4-3-5-9-17/h3-11,14H,12-13,15H2,1-2H3/b7-6+	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
France; Inserm / CEA / Universit£ Paris Sud Curated by ChEMBL					Assay Description Displacement of [3H]-PK11195 from rat heart membrane TSPO				Eur J Med Chem 101: 736-45 (2015) Article DOI: 10.1016/j.ejmech.2015.07.033 BindingDB Entry DOI: 10.7270/Q26H4K6W
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50210859 (CHEMBL3908452) Show SMILES CN(C)C(=O)Cc1c(nn2c(C)cc(C)nc12)-c1ccc(CCCF)cc1 Show InChI InChI=1S/C21H25FN4O/c1-14-12-15(2)26-21(23-14)18(13-19(27)25(3)4)20(24-26)17-9-7-16(8-10-17)6-5-11-22/h7-10,12H,5-6,11,13H2,1-4H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
France; Inserm/CEA/Universit£ Paris Sud Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from TSPO in rat heart membranes after 15 mins by scintillation counting method				Eur J Med Chem 125: 346-359 (2017) Article DOI: 10.1016/j.ejmech.2016.09.025 BindingDB Entry DOI: 10.7270/Q2TH8PVR
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50210865 (CHEMBL3909555) Show SMILES Cc1cc(C)n2nc(c(CC(=O)N3CC3)c2n1)-c1ccc(CCCF)cc1 Show InChI InChI=1S/C21H23FN4O/c1-14-12-15(2)26-21(23-14)18(13-19(27)25-10-11-25)20(24-26)17-7-5-16(6-8-17)4-3-9-22/h5-8,12H,3-4,9-11,13H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
France; Inserm/CEA/Universit£ Paris Sud Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from TSPO in rat heart membranes after 15 mins by scintillation counting method				Eur J Med Chem 125: 346-359 (2017) Article DOI: 10.1016/j.ejmech.2016.09.025 BindingDB Entry DOI: 10.7270/Q2TH8PVR
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50210861 (CHEMBL3896806) Show SMILES Cc1cc(C)n2nc(c(CC(=O)N3CCCC3)c2n1)-c1ccc(CCCF)cc1 Show InChI InChI=1S/C23H27FN4O/c1-16-14-17(2)28-23(25-16)20(15-21(29)27-12-3-4-13-27)22(26-28)19-9-7-18(8-10-19)6-5-11-24/h7-10,14H,3-6,11-13,15H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
France; Inserm/CEA/Universit£ Paris Sud Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from TSPO in rat heart membranes after 15 mins by scintillation counting method				Eur J Med Chem 125: 346-359 (2017) Article DOI: 10.1016/j.ejmech.2016.09.025 BindingDB Entry DOI: 10.7270/Q2TH8PVR
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50210868 (CHEMBL3981447) Show SMILES Cc1cc(C)n2nc(c(CC(=O)N3CCOCC3)c2n1)-c1ccc(CCCF)cc1 Show InChI InChI=1S/C23H27FN4O2/c1-16-14-17(2)28-23(25-16)20(15-21(29)27-10-12-30-13-11-27)22(26-28)19-7-5-18(6-8-19)4-3-9-24/h5-8,14H,3-4,9-13,15H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
France; Inserm/CEA/Universit£ Paris Sud Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from TSPO in rat heart membranes after 15 mins by scintillation counting method				Eur J Med Chem 125: 346-359 (2017) Article DOI: 10.1016/j.ejmech.2016.09.025 BindingDB Entry DOI: 10.7270/Q2TH8PVR
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50210856 (CHEMBL3906707) Show SMILES Cc1cc(C)n2nc(c(CC(=O)N3CCC3)c2n1)-c1ccc(CCCF)cc1 Show InChI InChI=1S/C22H25FN4O/c1-15-13-16(2)27-22(24-15)19(14-20(28)26-11-4-12-26)21(25-27)18-8-6-17(7-9-18)5-3-10-23/h6-9,13H,3-5,10-12,14H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
France; Inserm/CEA/Universit£ Paris Sud Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from TSPO in rat heart membranes after 15 mins by scintillation counting method				Eur J Med Chem 125: 346-359 (2017) Article DOI: 10.1016/j.ejmech.2016.09.025 BindingDB Entry DOI: 10.7270/Q2TH8PVR
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50117209 (CHEMBL3613367) Show SMILES CN(C)C(=O)Cc1nn(-c2ccccc2)c(=O)c2n(CCCF)c3cc(Cl)ccc3c12 Show InChI InChI=1S/C23H22ClFN4O2/c1-27(2)20(30)14-18-21-17-10-9-15(24)13-19(17)28(12-6-11-25)22(21)23(31)29(26-18)16-7-4-3-5-8-16/h3-5,7-10,13H,6,11-12,14H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	61	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
France; Inserm / CEA / Universit£ Paris Sud Curated by ChEMBL					Assay Description Displacement of [3H]-PK11195 from rat heart membrane TSPO				Eur J Med Chem 101: 736-45 (2015) Article DOI: 10.1016/j.ejmech.2015.07.033 BindingDB Entry DOI: 10.7270/Q26H4K6W
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50117208 (CHEMBL3613368) Show SMILES CN(C)C(=O)Cc1nn(-c2ccccc2)c(=O)c2n(CCCCF)c3cc(Cl)ccc3c12 Show InChI InChI=1S/C24H24ClFN4O2/c1-28(2)21(31)15-19-22-18-11-10-16(25)14-20(18)29(13-7-6-12-26)23(22)24(32)30(27-19)17-8-4-3-5-9-17/h3-5,8-11,14H,6-7,12-13,15H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
France; Inserm / CEA / Universit£ Paris Sud Curated by ChEMBL					Assay Description Displacement of [3H]-PK11195 from rat heart membrane TSPO				Eur J Med Chem 101: 736-45 (2015) Article DOI: 10.1016/j.ejmech.2015.07.033 BindingDB Entry DOI: 10.7270/Q26H4K6W
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50117202 (CHEMBL3613371) Show SMILES CN(C)C(=O)Cc1nn(-c2ccccc2)c(=O)c2n(CCOCCF)c3cc(Cl)ccc3c12 Show InChI InChI=1S/C24H24ClFN4O3/c1-28(2)21(31)15-19-22-18-9-8-16(25)14-20(18)29(11-13-33-12-10-26)23(22)24(32)30(27-19)17-6-4-3-5-7-17/h3-9,14H,10-13,15H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
France; Inserm / CEA / Universit£ Paris Sud Curated by ChEMBL					Assay Description Displacement of [3H]-PK11195 from rat heart membrane TSPO				Eur J Med Chem 101: 736-45 (2015) Article DOI: 10.1016/j.ejmech.2015.07.033 BindingDB Entry DOI: 10.7270/Q26H4K6W
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50210862 (CHEMBL3920384) Show SMILES Cc1cc(C)n2nc(c(CC(=O)N3CCNCC3)c2n1)-c1ccc(CCCF)cc1 Show InChI InChI=1S/C23H28FN5O/c1-16-14-17(2)29-23(26-16)20(15-21(30)28-12-10-25-11-13-28)22(27-29)19-7-5-18(6-8-19)4-3-9-24/h5-8,14,25H,3-4,9-13,15H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
France; Inserm/CEA/Universit£ Paris Sud Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from TSPO in rat heart membranes after 15 mins by scintillation counting method				Eur J Med Chem 125: 346-359 (2017) Article DOI: 10.1016/j.ejmech.2016.09.025 BindingDB Entry DOI: 10.7270/Q2TH8PVR
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50117201 (CHEMBL3613372) Show SMILES CN(C)C(=O)Cc1nn(-c2ccccc2)c(=O)c2n(CCOCCOCCF)c3cc(Cl)ccc3c12 Show InChI InChI=1S/C26H28ClFN4O4/c1-30(2)23(33)17-21-24-20-9-8-18(27)16-22(20)31(11-13-36-15-14-35-12-10-28)25(24)26(34)32(29-21)19-6-4-3-5-7-19/h3-9,16H,10-15,17H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	920	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
France; Inserm / CEA / Universit£ Paris Sud Curated by ChEMBL					Assay Description Displacement of [3H]-PK11195 from rat heart membrane TSPO				Eur J Med Chem 101: 736-45 (2015) Article DOI: 10.1016/j.ejmech.2015.07.033 BindingDB Entry DOI: 10.7270/Q26H4K6W
					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))	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))	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))	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))	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))	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))	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))	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))	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))	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

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