Compile Data Set for Download or QSAR

Found 24691 hits with Last Name = 'ott' and Initial = 'd'   

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
WD repeat-containing protein 5 (Homo sapiens (Human))	BDBM468736 (US10807959, Example 5) Show SMILES Cc1cc(CNC(=O)c2cc(CNC3=NCCN3)cc(c2)-c2ccc(F)nc2C)ccc1Cl |t:13| Show InChI InChI=1S/C25H25ClFN5O/c1-15-9-17(3-5-22(15)26)13-30-24(33)20-11-18(14-31-25-28-7-8-29-25)10-19(12-20)21-4-6-23(27)32-16(21)2/h3-6,9-12H,7-8,13-14H2,1-2H3,(H,30,33)(H2,28,29,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University US Patent					Assay Description A Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) assay that measures the displacement of the 10mer-Thr-FAM probe in response to compo...				US Patent US10807959 (2020) BindingDB Entry DOI: 10.7270/Q26Q219X
					More data for this Ligand-Target Pair
WD repeat-containing protein 5 (Homo sapiens (Human))	BDBM473225 (US10844044, Example 283) Show SMILES Cc1cc(ccc1F)[C@@H](NC(=O)c1cc(CN2CCOC2=N)cc(c1F)-c1ccc(F)cc1C(F)(F)F)C1CC1 |r| Show InChI InChI=1S/C29H25F6N3O2/c1-15-10-18(4-7-24(15)31)26(17-2-3-17)37-27(39)22-12-16(14-38-8-9-40-28(38)36)11-21(25(22)32)20-6-5-19(30)13-23(20)29(33,34)35/h4-7,10-13,17,26,36H,2-3,8-9,14H2,1H3,(H,37,39)/t26-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University US Patent					Assay Description A Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) assay that measures the displacement of the 10mer-Thr-FAM probe in response to compo...				US Patent US10844044 (2020) BindingDB Entry DOI: 10.7270/Q21R6TKB
					More data for this Ligand-Target Pair
WD repeat-containing protein 5 (Homo sapiens (Human))	BDBM468925 (US10807959, Example B64) Show SMILES Cc1nc(F)ccc1-c1cc(CNC2=NCCN2)cc(c1)C(=O)NCc1ccc(Cl)c(Cl)c1 |t:14| Show InChI InChI=1S/C24H22Cl2FN5O/c1-14-19(3-5-22(27)32-14)17-8-16(13-31-24-28-6-7-29-24)9-18(11-17)23(33)30-12-15-2-4-20(25)21(26)10-15/h2-5,8-11H,6-7,12-13H2,1H3,(H,30,33)(H2,28,29,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0210	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University US Patent					Assay Description FPA Assay protocol adopted from Karatas et al. (J. Med. Chem. 2010, 5179.; J. Amer. Chem. Soc. 2013, 669.): WDR5 (Δ23, residues 24-334), is expr...				US Patent US10807959 (2020) BindingDB Entry DOI: 10.7270/Q26Q219X
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50476247 (CHEMBL224081) Show SMILES [O-][S+]1CCC(CC1)N[C@@H]1CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)CNC1=O |r,wU:27.30,13.14,wD:38.42,8.8,(8.17,-3.99,;8.18,-5.53,;9.51,-6.29,;9.52,-7.83,;8.19,-8.6,;6.85,-7.85,;6.84,-6.3,;8.2,-10.14,;6.87,-10.92,;6.83,-12.46,;5.44,-13.07,;4.09,-12.32,;5.39,-14.62,;4.32,-15.41,;4.27,-16.95,;2.9,-17.67,;1.52,-17,;.45,-18.1,;1.17,-19.46,;.64,-20.9,;1.62,-22.08,;3.14,-21.81,;3.67,-20.37,;2.68,-19.2,;3.06,-14.51,;3.09,-12.97,;1.85,-15.46,;.45,-14.76,;-.87,-15.56,;-2.2,-14.79,;-2.2,-13.25,;-3.53,-12.48,;-4.87,-13.25,;-4.86,-14.8,;-3.52,-15.56,;.49,-13.23,;-.78,-12.36,;1.91,-12.63,;1.71,-11.09,;.39,-10.29,;.43,-8.75,;1.78,-8.02,;1.81,-6.48,;.5,-5.68,;-.86,-6.42,;-.89,-7.96,;3.03,-10.3,;4.29,-11.19,;5.48,-10.23,;5.52,-8.69,)| Show InChI InChI=1S/C38H44N6O5S/c45-35-22-34(41-28-15-17-50(49)18-16-28)36(46)40-24-29(19-25-9-3-1-4-10-25)42-37(47)32(20-26-11-5-2-6-12-26)44-38(48)33(43-35)21-27-23-39-31-14-8-7-13-30(27)31/h1-14,23,28-29,32-34,39,41H,15-22,24H2,(H,40,46)(H,42,47)(H,43,45)(H,44,48)/t28?,29-,32+,33+,34-,50?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0251	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Menarini Ricerche S.p.A. Curated by ChEMBL					Assay Description Displacement of [125I]neurokinin A from human NK2 receptor expressed in CHOK1 cells				J Med Chem 47: 6935-47 (2004) Article DOI: 10.1021/jm040832y BindingDB Entry DOI: 10.7270/Q2T43WVJ
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50388901 (CHEMBL2063237) Show SMILES CC(C)C(=O)N[C@@H]1CCCOc2c1nn(c2-c1ccc(Cl)cc1)-c1ccccc1Cl |r| Show InChI InChI=1S/C23H23Cl2N3O2/c1-14(2)23(29)26-18-7-5-13-30-22-20(18)27-28(19-8-4-3-6-17(19)25)21(22)15-9-11-16(24)12-10-15/h3-4,6,8-12,14,18H,5,7,13H2,1-2H3,(H,26,29)/t18-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Antagonist activity at human CB1 receptor expressed in CHO-K1 cells assessed as inhibition of CP-55940-induced [35S]GTPgammaS binding incubated for 1...				ACS Med Chem Lett 3: 397-401 (2012) Article DOI: 10.1021/ml3000325 BindingDB Entry DOI: 10.7270/Q22N53BD
					More data for this Ligand-Target Pair
WD repeat-containing protein 5 (Homo sapiens (Human))	BDBM468927 (US10807959, Example B74) Show SMILES Cc1cc(ccn1)-c1cc(CNC2=NCCN2)cc(c1)C(=O)NCc1ccc(Cl)c(Cl)c1 |t:13| Show InChI InChI=1S/C24H23Cl2N5O/c1-15-8-18(4-5-27-15)19-9-17(14-31-24-28-6-7-29-24)10-20(12-19)23(32)30-13-16-2-3-21(25)22(26)11-16/h2-5,8-12H,6-7,13-14H2,1H3,(H,30,32)(H2,28,29,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0310	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University US Patent					Assay Description FPA Assay protocol adopted from Karatas et al. (J. Med. Chem. 2010, 5179.; J. Amer. Chem. Soc. 2013, 669.): WDR5 (Δ23, residues 24-334), is expr...				US Patent US10807959 (2020) BindingDB Entry DOI: 10.7270/Q26Q219X
					More data for this Ligand-Target Pair
WD repeat-containing protein 5 (Homo sapiens (Human))	BDBM468928 (US10807959, Example B81) Show SMILES Cc1cc(ccn1)-c1cc(CNC2=NCCN2)cc(c1)C(=O)NCc1cc(Cl)cc(Cl)c1 |t:13| Show InChI InChI=1S/C24H23Cl2N5O/c1-15-6-18(2-3-27-15)19-7-16(14-31-24-28-4-5-29-24)8-20(11-19)23(32)30-13-17-9-21(25)12-22(26)10-17/h2-3,6-12H,4-5,13-14H2,1H3,(H,30,32)(H2,28,29,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0330	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University US Patent					Assay Description FPA Assay protocol adopted from Karatas et al. (J. Med. Chem. 2010, 5179.; J. Amer. Chem. Soc. 2013, 669.): WDR5 (Δ23, residues 24-334), is expr...				US Patent US10807959 (2020) BindingDB Entry DOI: 10.7270/Q26Q219X
					More data for this Ligand-Target Pair
WD repeat-containing protein 5 (Homo sapiens (Human))	BDBM468938 (US10807959, Example B109) Show SMILES COc1cc(CNC(=O)c2cc(CNC3=NCCN3)cc(c2)-c2cc(C)cnc2F)cc(OC)c1 |t:14| Show InChI InChI=1S/C26H28FN5O3/c1-16-6-23(24(27)30-13-16)19-7-17(15-32-26-28-4-5-29-26)8-20(11-19)25(33)31-14-18-9-21(34-2)12-22(10-18)35-3/h6-13H,4-5,14-15H2,1-3H3,(H,31,33)(H2,28,29,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0380	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University US Patent					Assay Description FPA Assay protocol adopted from Karatas et al. (J. Med. Chem. 2010, 5179.; J. Amer. Chem. Soc. 2013, 669.): WDR5 (Δ23, residues 24-334), is expr...				US Patent US10807959 (2020) BindingDB Entry DOI: 10.7270/Q26Q219X
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50388885 (CHEMBL2063238) Show SMILES CC(C)C(=O)N[C@H]1CCCOc2c1nn(c2-c1ccc(Cl)cc1)-c1ccccc1Cl |r| Show InChI InChI=1S/C23H23Cl2N3O2/c1-14(2)23(29)26-18-7-5-13-30-22-20(18)27-28(19-8-4-3-6-17(19)25)21(22)15-9-11-16(24)12-10-15/h3-4,6,8-12,14,18H,5,7,13H2,1-2H3,(H,26,29)/t18-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Antagonist activity at human CB1 receptor expressed in CHO-K1 cells assessed as inhibition of CP-55940-induced [35S]GTPgammaS binding incubated for 1...				ACS Med Chem Lett 3: 397-401 (2012) Article DOI: 10.1021/ml3000325 BindingDB Entry DOI: 10.7270/Q22N53BD
					More data for this Ligand-Target Pair
WD repeat-containing protein 5 (Homo sapiens (Human))	BDBM50520121 (CHEMBL4441671 | US10844044, Example 1) Show SMILES Cc1nc(F)ccc1-c1cc(Cn2ccn(C)c2=N)cc(c1)C(=O)NCc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C25H22Cl2FN5O/c1-15-20(4-6-23(28)31-15)18-9-17(14-33-8-7-32(2)25(33)29)10-19(12-18)24(34)30-13-16-3-5-21(26)22(27)11-16/h3-12,29H,13-14H2,1-2H3,(H,30,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	0.0440	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Frederick National Laboratory for Cancer Research Curated by ChEMBL					Assay Description Competitive inhibition of human N-terminal His6-SUMO tagged WDR5 (22 to 334 residues) expressed in Escherichia coli BL21-Gold(DE3) cells using 10-mer...				J Med Chem 63: 656-675 (2020) Article DOI: 10.1021/acs.jmedchem.9b01608 BindingDB Entry DOI: 10.7270/Q2HD801W
					More data for this Ligand-Target Pair				3D Structure (crystal)
Substance-K receptor (Homo sapiens (Human))	BDBM50404016 (CHEMBL2112922) Show SMILES O=C(C1CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)CNC1=O)N1CCC(CC1)N1CCCCC1 Show InChI InChI=1S/C44H53N7O5/c52-40-27-36(44(56)51-22-18-34(19-23-51)50-20-10-3-11-21-50)41(53)46-29-33(24-30-12-4-1-5-13-30)47-42(54)38(25-31-14-6-2-7-15-31)49-43(55)39(48-40)26-32-28-45-37-17-9-8-16-35(32)37/h1-2,4-9,12-17,28,33-34,36,38-39,45H,3,10-11,18-27,29H2,(H,46,53)(H,47,54)(H,48,52)(H,49,55)/t33-,36?,38-,39-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Menarini Ricerche S.p.A. Laboratori di Firenze Curated by ChEMBL					Assay Description In vitro functional activity towards Neurokinin NK2 receptor on isolated rabbit urinary bladder (RUB)				Bioorg Med Chem Lett 12: 693-6 (2002) BindingDB Entry DOI: 10.7270/Q22N53FR
					More data for this Ligand-Target Pair
WD repeat-containing protein 5 (Homo sapiens (Human))	BDBM473480 (US10844044, Example 72) Show SMILES Cc1cc(ccc1F)[C@@H](NC(=O)c1cc(Cn2ccn(C)c2=N)cc(c1)-c1ncc(F)cc1C(F)(F)F)C1CC1 |r| Show InChI InChI=1S/C29H26F5N5O/c1-16-9-19(5-6-24(16)31)25(18-3-4-18)37-27(40)21-11-17(15-39-8-7-38(2)28(39)35)10-20(12-21)26-23(29(32,33)34)13-22(30)14-36-26/h5-14,18,25,35H,3-4,15H2,1-2H3,(H,37,40)/t25-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University US Patent					Assay Description A Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) assay that measures the displacement of the 10mer-Thr-FAM probe in response to compo...				US Patent US10844044 (2020) BindingDB Entry DOI: 10.7270/Q21R6TKB
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50388902 (CHEMBL2063239) Show SMILES Clc1ccc(cc1)-c1c2OCCCC(NC(=O)C3CCCCC3)c2nn1-c1ccccc1Cl Show InChI InChI=1S/C26H27Cl2N3O2/c27-19-14-12-17(13-15-19)24-25-23(30-31(24)22-11-5-4-9-20(22)28)21(10-6-16-33-25)29-26(32)18-7-2-1-3-8-18/h4-5,9,11-15,18,21H,1-3,6-8,10,16H2,(H,29,32)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Antagonist activity at human CB1 receptor expressed in CHO-K1 cells assessed as inhibition of CP-55940-induced [35S]GTPgammaS binding incubated for 1...				ACS Med Chem Lett 3: 397-401 (2012) Article DOI: 10.1021/ml3000325 BindingDB Entry DOI: 10.7270/Q22N53BD
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50404016 (CHEMBL2112922) Show SMILES O=C(C1CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)CNC1=O)N1CCC(CC1)N1CCCCC1 Show InChI InChI=1S/C44H53N7O5/c52-40-27-36(44(56)51-22-18-34(19-23-51)50-20-10-3-11-21-50)41(53)46-29-33(24-30-12-4-1-5-13-30)47-42(54)38(25-31-14-6-2-7-15-31)49-43(55)39(48-40)26-32-28-45-37-17-9-8-16-35(32)37/h1-2,4-9,12-17,28,33-34,36,38-39,45H,3,10-11,18-27,29H2,(H,46,53)(H,47,54)(H,48,52)(H,49,55)/t33-,36?,38-,39-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0501	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Menarini Ricerche S.p.A. Laboratori di Firenze Curated by ChEMBL					Assay Description In vitro functional activity towards Neurokinin NK2 receptor on isolated rabbit urinary bladder (RUB)				Bioorg Med Chem Lett 12: 693-6 (2002) BindingDB Entry DOI: 10.7270/Q22N53FR
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50476235 (CHEMBL436981) Show SMILES NS(=O)(=O)N1CCC(CC1)N[C@@H]1CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)CNC1=O |r| Show InChI InChI=1S/C38H46N8O6S/c39-53(51,52)46-17-15-28(16-18-46)42-34-22-35(47)44-33(21-27-23-40-31-14-8-7-13-30(27)31)38(50)45-32(20-26-11-5-2-6-12-26)37(49)43-29(24-41-36(34)48)19-25-9-3-1-4-10-25/h1-14,23,28-29,32-34,40,42H,15-22,24H2,(H,41,48)(H,43,49)(H,44,47)(H,45,50)(H2,39,51,52)/t29-,32+,33+,34-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0501	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Menarini Ricerche S.p.A. Curated by ChEMBL					Assay Description Displacement of [125I]neurokinin A from human NK2 receptor expressed in CHOK1 cells				J Med Chem 47: 6935-47 (2004) Article DOI: 10.1021/jm040832y BindingDB Entry DOI: 10.7270/Q2T43WVJ
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50476788 (CHEMBL243711) Show SMILES Clc1ccc2cc(sc2c1)C(=O)NC1(CCCC1)C(=O)N[C@H](Cc1ccccc1)C(=O)NCC1CCN(CC2CCOCC2)CC1 Show InChI InChI=1S/C36H45ClN4O4S/c37-29-9-8-28-21-32(46-31(28)22-29)34(43)40-36(14-4-5-15-36)35(44)39-30(20-25-6-2-1-3-7-25)33(42)38-23-26-10-16-41(17-11-26)24-27-12-18-45-19-13-27/h1-3,6-9,21-22,26-27,30H,4-5,10-20,23-24H2,(H,38,42)(H,39,44)(H,40,43)/t30-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0525	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Menarini Ricerche S.p.a. Curated by ChEMBL					Assay Description Displacement of [125I]neurokinin A from human recombinant NK2 receptor				J Med Chem 50: 4793-807 (2007) Article DOI: 10.1021/jm070289w BindingDB Entry DOI: 10.7270/Q2CR5X4G
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50476771 (CHEMBL244362) Show SMILES Brc1ccc2cc(sc2c1)C(=O)NC1(CCCC1)C(=O)N[C@H](Cc1ccccc1)C(=O)NCC1CCN(CC2CCOCC2)CC1 Show InChI InChI=1S/C36H45BrN4O4S/c37-29-9-8-28-21-32(46-31(28)22-29)34(43)40-36(14-4-5-15-36)35(44)39-30(20-25-6-2-1-3-7-25)33(42)38-23-26-10-16-41(17-11-26)24-27-12-18-45-19-13-27/h1-3,6-9,21-22,26-27,30H,4-5,10-20,23-24H2,(H,38,42)(H,39,44)(H,40,43)/t30-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0575	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Menarini Ricerche S.p.a. Curated by ChEMBL					Assay Description Displacement of [125I]neurokinin A from human recombinant NK2 receptor				J Med Chem 50: 4793-807 (2007) Article DOI: 10.1021/jm070289w BindingDB Entry DOI: 10.7270/Q2CR5X4G
					More data for this Ligand-Target Pair
WD repeat-containing protein 5 (Homo sapiens (Human))	BDBM473383 (US10844044, Example 230) Show SMILES C[C@H](NC(=O)c1cc(Cn2ccoc2=N)cc(c1)-c1ccc(F)cc1C)c1ccc(F)c(C)c1 |r| Show InChI InChI=1S/C27H25F2N3O2/c1-16-11-23(28)5-6-24(16)21-12-19(15-32-8-9-34-27(32)30)13-22(14-21)26(33)31-18(3)20-4-7-25(29)17(2)10-20/h4-14,18,30H,15H2,1-3H3,(H,31,33)/t18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University US Patent					Assay Description A Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) assay that measures the displacement of the 10mer-Thr-FAM probe in response to compo...				US Patent US10844044 (2020) BindingDB Entry DOI: 10.7270/Q21R6TKB
					More data for this Ligand-Target Pair
WD repeat-containing protein 5 (Homo sapiens (Human))	BDBM473215 (US10844044, Example 98) Show SMILES COc1cc(CNC(=O)c2cc(Cn3ccn(C)c3=N)cc(c2)-c2ccc(F)cc2C(F)(F)F)cc(OC)c1 Show InChI InChI=1S/C28H26F4N4O3/c1-35-6-7-36(27(35)33)16-18-8-19(24-5-4-21(29)13-25(24)28(30,31)32)12-20(9-18)26(37)34-15-17-10-22(38-2)14-23(11-17)39-3/h4-14,33H,15-16H2,1-3H3,(H,34,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University US Patent					Assay Description A Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) assay that measures the displacement of the 10mer-Thr-FAM probe in response to compo...				US Patent US10844044 (2020) BindingDB Entry DOI: 10.7270/Q21R6TKB
					More data for this Ligand-Target Pair
WD repeat-containing protein 5 (Homo sapiens (Human))	BDBM473393 (US10844044, Example 232) Show SMILES Cc1cc(ccc1F)[C@@H](NC(=O)c1cc(Cn2ccoc2=N)cc(c1)-c1ccc(F)cc1C)C1CC1 |r| Show InChI InChI=1S/C29H27F2N3O2/c1-17-12-24(30)6-7-25(17)22-13-19(16-34-9-10-36-29(34)32)14-23(15-22)28(35)33-27(20-3-4-20)21-5-8-26(31)18(2)11-21/h5-15,20,27,32H,3-4,16H2,1-2H3,(H,33,35)/t27-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University US Patent					Assay Description A Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) assay that measures the displacement of the 10mer-Thr-FAM probe in response to compo...				US Patent US10844044 (2020) BindingDB Entry DOI: 10.7270/Q21R6TKB
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50476748 (CHEMBL395972) Show SMILES FC(F)(F)c1ccc2cc(sc2c1)C(=O)NC1(CCCC1)C(=O)N[C@H](Cc1ccccc1)C(=O)NCC1CCN(CC2CCOCC2)CC1 Show InChI InChI=1S/C37H45F3N4O4S/c38-37(39,40)29-9-8-28-21-32(49-31(28)22-29)34(46)43-36(14-4-5-15-36)35(47)42-30(20-25-6-2-1-3-7-25)33(45)41-23-26-10-16-44(17-11-26)24-27-12-18-48-19-13-27/h1-3,6-9,21-22,26-27,30H,4-5,10-20,23-24H2,(H,41,45)(H,42,47)(H,43,46)/t30-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0603	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Menarini Ricerche S.p.a. Curated by ChEMBL					Assay Description Displacement of [125I]neurokinin A from human recombinant NK2 receptor				J Med Chem 50: 4793-807 (2007) Article DOI: 10.1021/jm070289w BindingDB Entry DOI: 10.7270/Q2CR5X4G
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50476221 (CHEMBL387506) Show SMILES O=C1C[C@@H](NC2CCOCC2)C(=O)NC[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N1 |r| Show InChI InChI=1S/C38H44N6O5/c45-35-22-34(41-28-15-17-49-18-16-28)36(46)40-24-29(19-25-9-3-1-4-10-25)42-37(47)32(20-26-11-5-2-6-12-26)44-38(48)33(43-35)21-27-23-39-31-14-8-7-13-30(27)31/h1-14,23,28-29,32-34,39,41H,15-22,24H2,(H,40,46)(H,42,47)(H,43,45)(H,44,48)/t29-,32+,33+,34-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0631	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Menarini Ricerche S.p.A. Curated by ChEMBL					Assay Description Displacement of [125I]neurokinin A from human NK2 receptor expressed in CHOK1 cells				J Med Chem 47: 6935-47 (2004) Article DOI: 10.1021/jm040832y BindingDB Entry DOI: 10.7270/Q2T43WVJ
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50476233 (CHEMBL439281) Show SMILES CS(=O)(=O)N1CCC(CC1)N[C@@H]1CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)CNC1=O |r| Show InChI InChI=1S/C39H47N7O6S/c1-53(51,52)46-18-16-29(17-19-46)42-35-23-36(47)44-34(22-28-24-40-32-15-9-8-14-31(28)32)39(50)45-33(21-27-12-6-3-7-13-27)38(49)43-30(25-41-37(35)48)20-26-10-4-2-5-11-26/h2-15,24,29-30,33-35,40,42H,16-23,25H2,1H3,(H,41,48)(H,43,49)(H,44,47)(H,45,50)/t30-,33+,34+,35-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0631	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Menarini Ricerche S.p.A. Curated by ChEMBL					Assay Description Displacement of [125I]neurokinin A from human NK2 receptor expressed in CHOK1 cells				J Med Chem 47: 6935-47 (2004) Article DOI: 10.1021/jm040832y BindingDB Entry DOI: 10.7270/Q2T43WVJ
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50130172 (1-(3-Benzo[b]thiophen-2-yl-8-aza-bicyclo[3.2.1]oct...) Show SMILES O[C@H](COc1cccc2[nH]ccc12)CN1[C@H]2CC[C@@H]1C[C@H](C2)c1cc2ccccc2s1 |THB:13:14:20.19.21:16.17| Show InChI InChI=1S/C26H28N2O2S/c29-21(16-30-24-6-3-5-23-22(24)10-11-27-23)15-28-19-8-9-20(28)13-18(12-19)26-14-17-4-1-2-7-25(17)31-26/h1-7,10-11,14,18-21,27,29H,8-9,12-13,15-16H2/t18-,19-,20+,21-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description In vitro affinity of the compound at the 5-HT reuptake site using [3H]-paroxetine as radioligand in rat frontal cortex membranes				Bioorg Med Chem Lett 13: 2393-7 (2003) BindingDB Entry DOI: 10.7270/Q2Z31Z1R
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50388887 (CHEMBL2063240) Show SMILES Clc1ccc(cc1)-c1c2OCCCC(NC(=O)C3CCOCC3)c2nn1-c1ccccc1Cl Show InChI InChI=1S/C25H25Cl2N3O3/c26-18-9-7-16(8-10-18)23-24-22(29-30(23)21-6-2-1-4-19(21)27)20(5-3-13-33-24)28-25(31)17-11-14-32-15-12-17/h1-2,4,6-10,17,20H,3,5,11-15H2,(H,28,31)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Antagonist activity at human CB1 receptor expressed in CHO-K1 cells assessed as inhibition of CP-55940-induced [35S]GTPgammaS binding incubated for 1...				ACS Med Chem Lett 3: 397-401 (2012) Article DOI: 10.1021/ml3000325 BindingDB Entry DOI: 10.7270/Q22N53BD
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50476750 (Ibodutant | MEN-15596) Show SMILES Cc1ccc2cc(sc2c1)C(=O)NC1(CCCC1)C(=O)N[C@H](Cc1ccccc1)C(=O)NCC1CCN(CC2CCOCC2)CC1 Show InChI InChI=1S/C37H48N4O4S/c1-26-9-10-30-23-33(46-32(30)21-26)35(43)40-37(15-5-6-16-37)36(44)39-31(22-27-7-3-2-4-8-27)34(42)38-24-28-11-17-41(18-12-28)25-29-13-19-45-20-14-29/h2-4,7-10,21,23,28-29,31H,5-6,11-20,22,24-25H2,1H3,(H,38,42)(H,39,44)(H,40,43)/t31-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	0.0759	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Menarini Ricerche S.p.a. Curated by ChEMBL					Assay Description Displacement of [125I]neurokinin A from human recombinant NK2 receptor				J Med Chem 50: 4793-807 (2007) Article DOI: 10.1021/jm070289w BindingDB Entry DOI: 10.7270/Q2CR5X4G
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50388893 (CHEMBL2063246) Show SMILES Clc1ccc(cc1)-c1c2OCCCC(NC(=O)C3(CC3)C#N)c2nn1-c1ccccc1Cl Show InChI InChI=1S/C24H20Cl2N4O2/c25-16-9-7-15(8-10-16)21-22-20(29-30(21)19-6-2-1-4-17(19)26)18(5-3-13-32-22)28-23(31)24(14-27)11-12-24/h1-2,4,6-10,18H,3,5,11-13H2,(H,28,31)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Antagonist activity at human CB1 receptor expressed in CHO-K1 cells assessed as inhibition of CP-55940-induced [35S]GTPgammaS binding incubated for 1...				ACS Med Chem Lett 3: 397-401 (2012) Article DOI: 10.1021/ml3000325 BindingDB Entry DOI: 10.7270/Q22N53BD
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50388896 (CHEMBL2063249) Show SMILES Clc1ccc(cc1)-c1c2OCCCC(NC(=O)c3cnon3)c2nn1-c1ccccc1Cl Show InChI InChI=1S/C22H17Cl2N5O3/c23-14-9-7-13(8-10-14)20-21-19(27-29(20)18-6-2-1-4-15(18)24)16(5-3-11-31-21)26-22(30)17-12-25-32-28-17/h1-2,4,6-10,12,16H,3,5,11H2,(H,26,30)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Antagonist activity at human CB1 receptor expressed in CHO-K1 cells assessed as inhibition of CP-55940-induced [35S]GTPgammaS binding incubated for 1...				ACS Med Chem Lett 3: 397-401 (2012) Article DOI: 10.1021/ml3000325 BindingDB Entry DOI: 10.7270/Q22N53BD
					More data for this Ligand-Target Pair
WD repeat-containing protein 5 (Homo sapiens (Human))	BDBM468936 (US10807959, Example B99) Show SMILES Cc1cc(cnc1F)-c1cc(CNC2=NCCN2)cc(c1)C(=O)NCc1ccc(Cl)c(Cl)c1 |t:14| Show InChI InChI=1S/C24H22Cl2FN5O/c1-14-6-19(13-30-22(14)27)17-7-16(12-32-24-28-4-5-29-24)8-18(10-17)23(33)31-11-15-2-3-20(25)21(26)9-15/h2-3,6-10,13H,4-5,11-12H2,1H3,(H,31,33)(H2,28,29,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0870	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University US Patent					Assay Description FPA Assay protocol adopted from Karatas et al. (J. Med. Chem. 2010, 5179.; J. Amer. Chem. Soc. 2013, 669.): WDR5 (Δ23, residues 24-334), is expr...				US Patent US10807959 (2020) BindingDB Entry DOI: 10.7270/Q26Q219X
					More data for this Ligand-Target Pair
WD repeat-containing protein 5 (Homo sapiens (Human))	BDBM468939 (US10807959, Example B111) Show SMILES Cc1cc(cc(C)n1)-c1cc(CNC2=NCCN2)cc(c1)C(=O)NCc1cc(Cl)ccn1 |t:14| Show InChI InChI=1S/C24H25ClN6O/c1-15-7-18(8-16(2)31-15)19-9-17(13-30-24-27-5-6-28-24)10-20(11-19)23(32)29-14-22-12-21(25)3-4-26-22/h3-4,7-12H,5-6,13-14H2,1-2H3,(H,29,32)(H2,27,28,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0870	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University US Patent					Assay Description FPA Assay protocol adopted from Karatas et al. (J. Med. Chem. 2010, 5179.; J. Amer. Chem. Soc. 2013, 669.): WDR5 (Δ23, residues 24-334), is expr...				US Patent US10807959 (2020) BindingDB Entry DOI: 10.7270/Q26Q219X
					More data for this Ligand-Target Pair
WD repeat-containing protein 5 (Homo sapiens (Human))	BDBM468945 (US10807959, Example B129) Show SMILES Cc1cc(CNC(=O)c2cc(CNC3=NCCC3)cc(c2)-c2ccc(F)nc2C)ccc1Cl |t:13| Show InChI InChI=1S/C26H26ClFN4O/c1-16-10-18(5-7-23(16)27)14-31-26(33)21-12-19(15-30-25-4-3-9-29-25)11-20(13-21)22-6-8-24(28)32-17(22)2/h5-8,10-13H,3-4,9,14-15H2,1-2H3,(H,29,30)(H,31,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0890	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University US Patent					Assay Description FPA Assay protocol adopted from Karatas et al. (J. Med. Chem. 2010, 5179.; J. Amer. Chem. Soc. 2013, 669.): WDR5 (Δ23, residues 24-334), is expr...				US Patent US10807959 (2020) BindingDB Entry DOI: 10.7270/Q26Q219X
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50388887 (CHEMBL2063240) Show SMILES Clc1ccc(cc1)-c1c2OCCCC(NC(=O)C3CCOCC3)c2nn1-c1ccccc1Cl Show InChI InChI=1S/C25H25Cl2N3O3/c26-18-9-7-16(8-10-18)23-24-22(29-30(23)21-6-2-1-4-19(21)27)20(5-3-13-33-24)28-25(31)17-11-14-32-15-12-17/h1-2,4,6-10,17,20H,3,5,11-15H2,(H,28,31)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]SR141716A form human CB1 receptor expressed in HEK293 cells after 60 mins by beta counting				ACS Med Chem Lett 3: 397-401 (2012) Article DOI: 10.1021/ml3000325 BindingDB Entry DOI: 10.7270/Q22N53BD
					More data for this Ligand-Target Pair
WD repeat-containing protein 5 (Homo sapiens (Human))	BDBM468937 (US10807959, Example B107) Show SMILES COc1ccc(CNC(=O)c2cc(CNC3=NCCN3)cc(c2)-c2cc(C)cnc2F)cc1OC |t:15| Show InChI InChI=1S/C26H28FN5O3/c1-16-8-21(24(27)30-13-16)19-9-18(15-32-26-28-6-7-29-26)10-20(12-19)25(33)31-14-17-4-5-22(34-2)23(11-17)35-3/h4-5,8-13H,6-7,14-15H2,1-3H3,(H,31,33)(H2,28,29,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0970	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University US Patent					Assay Description FPA Assay protocol adopted from Karatas et al. (J. Med. Chem. 2010, 5179.; J. Amer. Chem. Soc. 2013, 669.): WDR5 (Δ23, residues 24-334), is expr...				US Patent US10807959 (2020) BindingDB Entry DOI: 10.7270/Q26Q219X
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50476764 (CHEMBL395974) Show SMILES CCN(CC)c1ccc2cc(sc2c1)C(=O)NC1(CCCC1)C(=O)N[C@H](Cc1ccccc1)C(=O)NCC1CCN(CC2CCOCC2)CC1 Show InChI InChI=1S/C40H55N5O4S/c1-3-45(4-2)33-13-12-32-25-36(50-35(32)26-33)38(47)43-40(18-8-9-19-40)39(48)42-34(24-29-10-6-5-7-11-29)37(46)41-27-30-14-20-44(21-15-30)28-31-16-22-49-23-17-31/h5-7,10-13,25-26,30-31,34H,3-4,8-9,14-24,27-28H2,1-2H3,(H,41,46)(H,42,48)(H,43,47)/t34-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0977	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Menarini Ricerche S.p.a. Curated by ChEMBL					Assay Description Displacement of [125I]neurokinin A from human recombinant NK2 receptor				J Med Chem 50: 4793-807 (2007) Article DOI: 10.1021/jm070289w BindingDB Entry DOI: 10.7270/Q2CR5X4G
					More data for this Ligand-Target Pair
WD repeat-containing protein 5 (Homo sapiens (Human))	BDBM473503 (US10844044, Example 352) Show SMILES Cc1cc(ccc1F)[C@@H](NC(=O)c1cc(Cn2ccccc2=N)cc(c1)-c1cn(C)nc1C(F)(F)F)C1CC1 |r| Show InChI InChI=1S/C29H27F4N5O/c1-17-11-20(8-9-24(17)30)26(19-6-7-19)35-28(39)22-13-18(15-38-10-4-3-5-25(38)34)12-21(14-22)23-16-37(2)36-27(23)29(31,32)33/h3-5,8-14,16,19,26,34H,6-7,15H2,1-2H3,(H,35,39)/t26-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University US Patent					Assay Description A Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) assay that measures the displacement of the 10mer-Thr-FAM probe in response to compo...				US Patent US10844044 (2020) BindingDB Entry DOI: 10.7270/Q21R6TKB
					More data for this Ligand-Target Pair
WD repeat-containing protein 5 (Homo sapiens (Human))	BDBM473507 (US10844044, Example 353) Show SMILES Cc1cc(ccc1F)[C@@H](NC(=O)c1cc(Cn2cc(F)ccc2=N)cc(c1)-c1cn(C)nc1C(F)(F)F)C1CC1 |r| Show InChI InChI=1S/C29H26F5N5O/c1-16-9-19(5-7-24(16)31)26(18-3-4-18)36-28(40)21-11-17(13-39-14-22(30)6-8-25(39)35)10-20(12-21)23-15-38(2)37-27(23)29(32,33)34/h5-12,14-15,18,26,35H,3-4,13H2,1-2H3,(H,36,40)/t26-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University US Patent					Assay Description A Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) assay that measures the displacement of the 10mer-Thr-FAM probe in response to compo...				US Patent US10844044 (2020) BindingDB Entry DOI: 10.7270/Q21R6TKB
					More data for this Ligand-Target Pair
WD repeat-containing protein 5 (Homo sapiens (Human))	BDBM473511 (US10844044, Example 354) Show SMILES Cc1cc(ccc1F)[C@@H](NC(=O)c1cc(Cn2cc(F)ccc2=N)cc(c1)-c1cccnc1C(F)(F)F)C1CC1 |r| Show InChI InChI=1S/C30H25F5N4O/c1-17-11-20(6-8-25(17)32)27(19-4-5-19)38-29(40)22-13-18(15-39-16-23(31)7-9-26(39)36)12-21(14-22)24-3-2-10-37-28(24)30(33,34)35/h2-3,6-14,16,19,27,36H,4-5,15H2,1H3,(H,38,40)/t27-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University US Patent					Assay Description A Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) assay that measures the displacement of the 10mer-Thr-FAM probe in response to compo...				US Patent US10844044 (2020) BindingDB Entry DOI: 10.7270/Q21R6TKB
					More data for this Ligand-Target Pair
WD repeat-containing protein 5 (Homo sapiens (Human))	BDBM473517 (US10844044, Example 172) Show SMILES C[C@H](NC(=O)c1cc(Cn2ccn(C)c2=N)cc(c1F)-c1ccc(F)cn1C(F)(F)F)c1ccc(F)c(C)c1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University US Patent					Assay Description A Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) assay that measures the displacement of the 10mer-Thr-FAM probe in response to compo...				US Patent US10844044 (2020) BindingDB Entry DOI: 10.7270/Q21R6TKB
					More data for this Ligand-Target Pair
WD repeat-containing protein 5 (Homo sapiens (Human))	BDBM473525 (US10844044, Example 174) Show SMILES Cc1cc(ncc1F)[C@@H](NC(=O)c1cc(Cn2ccn(C)c2=N)cc(c1)-c1ccc(F)cc1Cl)C1CC1 |r| Show InChI InChI=1S/C28H26ClF2N5O/c1-16-9-25(33-14-24(16)31)26(18-3-4-18)34-27(37)20-11-17(15-36-8-7-35(2)28(36)32)10-19(12-20)22-6-5-21(30)13-23(22)29/h5-14,18,26,32H,3-4,15H2,1-2H3,(H,34,37)/t26-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University US Patent					Assay Description A Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) assay that measures the displacement of the 10mer-Thr-FAM probe in response to compo...				US Patent US10844044 (2020) BindingDB Entry DOI: 10.7270/Q21R6TKB
					More data for this Ligand-Target Pair
WD repeat-containing protein 5 (Homo sapiens (Human))	BDBM473532 (US10844044, Example 85) Show SMILES CCC(=O)CNC(=O)CC(NC(=O)c1cc(Cn2ccn(C)c2=N)cc(c1)-c1ccc(F)cc1C(F)(F)F)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C32H29Cl2F4N5O3/c1-3-23(44)16-40-29(45)15-28(19-4-7-26(33)27(34)13-19)41-30(46)21-11-18(17-43-9-8-42(2)31(43)39)10-20(12-21)24-6-5-22(35)14-25(24)32(36,37)38/h4-14,28,39H,3,15-17H2,1-2H3,(H,40,45)(H,41,46)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University US Patent					Assay Description A Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) assay that measures the displacement of the 10mer-Thr-FAM probe in response to compo...				US Patent US10844044 (2020) BindingDB Entry DOI: 10.7270/Q21R6TKB
					More data for this Ligand-Target Pair
WD repeat-containing protein 5 (Homo sapiens (Human))	BDBM473534 (US10844044, Example 268) Show SMILES Cn1cc(c(n1)C(F)(F)F)-c1cc(Cn2ccoc2=N)cc(c1)C(=O)N[C@@H](C1CC1)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C26H22Cl2F3N5O2/c1-35-13-19(23(34-35)26(29,30)31)17-8-14(12-36-6-7-38-25(36)32)9-18(10-17)24(37)33-22(15-2-3-15)16-4-5-20(27)21(28)11-16/h4-11,13,15,22,32H,2-3,12H2,1H3,(H,33,37)/t22-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University US Patent					Assay Description A Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) assay that measures the displacement of the 10mer-Thr-FAM probe in response to compo...				US Patent US10844044 (2020) BindingDB Entry DOI: 10.7270/Q21R6TKB
					More data for this Ligand-Target Pair
WD repeat-containing protein 5 (Homo sapiens (Human))	BDBM473538 (US10844044, Example 269) Show SMILES Cn1cc(c(n1)C(F)(F)F)-c1cc(CN2CCOC2=N)cc(c1)C(=O)N[C@@H](C1CC1)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C26H24Cl2F3N5O2/c1-35-13-19(23(34-35)26(29,30)31)17-8-14(12-36-6-7-38-25(36)32)9-18(10-17)24(37)33-22(15-2-3-15)16-4-5-20(27)21(28)11-16/h4-5,8-11,13,15,22,32H,2-3,6-7,12H2,1H3,(H,33,37)/t22-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University US Patent					Assay Description A Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) assay that measures the displacement of the 10mer-Thr-FAM probe in response to compo...				US Patent US10844044 (2020) BindingDB Entry DOI: 10.7270/Q21R6TKB
					More data for this Ligand-Target Pair
WD repeat-containing protein 5 (Homo sapiens (Human))	BDBM473431 (US10844044, Example 334) Show SMILES Cc1cc(ccc1F)[C@@H](NC(=O)c1cc(CN2CCCC2=N)cc(c1)-c1cccnc1C(F)(F)F)C1CC1 |r| Show InChI InChI=1S/C29H28F4N4O/c1-17-12-20(8-9-24(17)30)26(19-6-7-19)36-28(38)22-14-18(16-37-11-3-5-25(37)34)13-21(15-22)23-4-2-10-35-27(23)29(31,32)33/h2,4,8-10,12-15,19,26,34H,3,5-7,11,16H2,1H3,(H,36,38)/t26-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University US Patent					Assay Description A Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) assay that measures the displacement of the 10mer-Thr-FAM probe in response to compo...				US Patent US10844044 (2020) BindingDB Entry DOI: 10.7270/Q21R6TKB
					More data for this Ligand-Target Pair
WD repeat-containing protein 5 (Homo sapiens (Human))	BDBM473432 (US10844044, Example 60) Show SMILES Cc1cc(ccc1F)[C@@H](NC(=O)c1cc(Cn2ccn(C)c2=N)cc(c1)-c1cccnc1C(F)(F)F)C1CC1 |r| Show InChI InChI=1S/C29H27F4N5O/c1-17-12-20(7-8-24(17)30)25(19-5-6-19)36-27(39)22-14-18(16-38-11-10-37(2)28(38)34)13-21(15-22)23-4-3-9-35-26(23)29(31,32)33/h3-4,7-15,19,25,34H,5-6,16H2,1-2H3,(H,36,39)/t25-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University US Patent					Assay Description A Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) assay that measures the displacement of the 10mer-Thr-FAM probe in response to compo...				US Patent US10844044 (2020) BindingDB Entry DOI: 10.7270/Q21R6TKB
					More data for this Ligand-Target Pair
WD repeat-containing protein 5 (Homo sapiens (Human))	BDBM473434 (US10844044, Example 242) Show SMILES Cc1cc(ccc1F)[C@@H](NC(=O)c1cc(Cn2ccoc2=N)cc(c1)-c1ccc(F)cc1OC(F)F)C1CC1 |r| Show InChI InChI=1S/C29H25F4N3O3/c1-16-10-19(4-7-24(16)31)26(18-2-3-18)35-27(37)21-12-17(15-36-8-9-38-29(36)34)11-20(13-21)23-6-5-22(30)14-25(23)39-28(32)33/h4-14,18,26,28,34H,2-3,15H2,1H3,(H,35,37)/t26-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University US Patent					Assay Description A Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) assay that measures the displacement of the 10mer-Thr-FAM probe in response to compo...				US Patent US10844044 (2020) BindingDB Entry DOI: 10.7270/Q21R6TKB
					More data for this Ligand-Target Pair
WD repeat-containing protein 5 (Homo sapiens (Human))	BDBM473435 (US10844044, Example 335) Show SMILES Cc1cc(ccc1F)[C@@H](NC(=O)c1cc(CN2CCCC2=N)cc(c1)-c1ccc(F)cc1C(F)(F)F)C1CC1 |r| Show InChI InChI=1S/C30H28F5N3O/c1-17-11-20(6-9-26(17)32)28(19-4-5-19)37-29(39)22-13-18(16-38-10-2-3-27(38)36)12-21(14-22)24-8-7-23(31)15-25(24)30(33,34)35/h6-9,11-15,19,28,36H,2-5,10,16H2,1H3,(H,37,39)/t28-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University US Patent					Assay Description A Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) assay that measures the displacement of the 10mer-Thr-FAM probe in response to compo...				US Patent US10844044 (2020) BindingDB Entry DOI: 10.7270/Q21R6TKB
					More data for this Ligand-Target Pair
WD repeat-containing protein 5 (Homo sapiens (Human))	BDBM473438 (US10844044, Example 243) Show SMILES Cc1cc(ccc1F)[C@@H](NC(=O)c1cc(Cn2ccoc2=N)cc(c1)-c1cccnc1C(F)(F)F)C1CC1 |r| Show InChI InChI=1S/C28H24F4N4O2/c1-16-11-19(6-7-23(16)29)24(18-4-5-18)35-26(37)21-13-17(15-36-9-10-38-27(36)33)12-20(14-21)22-3-2-8-34-25(22)28(30,31)32/h2-3,6-14,18,24,33H,4-5,15H2,1H3,(H,35,37)/t24-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University US Patent					Assay Description A Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) assay that measures the displacement of the 10mer-Thr-FAM probe in response to compo...				US Patent US10844044 (2020) BindingDB Entry DOI: 10.7270/Q21R6TKB
					More data for this Ligand-Target Pair
WD repeat-containing protein 5 (Homo sapiens (Human))	BDBM473439 (US10844044, Example 336) Show SMILES CC(C)n1cc(c(n1)C(F)(F)F)-c1cc(CN2CCCC2=N)cc(c1)C(=O)N[C@@H](C1CC1)c1ccc(F)c(C)c1 |r| Show InChI InChI=1S/C30H33F4N5O/c1-17(2)39-16-24(28(37-39)30(32,33)34)22-12-19(15-38-10-4-5-26(38)35)13-23(14-22)29(40)36-27(20-6-7-20)21-8-9-25(31)18(3)11-21/h8-9,11-14,16-17,20,27,35H,4-7,10,15H2,1-3H3,(H,36,40)/t27-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University US Patent					Assay Description A Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) assay that measures the displacement of the 10mer-Thr-FAM probe in response to compo...				US Patent US10844044 (2020) BindingDB Entry DOI: 10.7270/Q21R6TKB
					More data for this Ligand-Target Pair
WD repeat-containing protein 5 (Homo sapiens (Human))	BDBM473442 (US10844044, Example 244) Show SMILES COc1cc(CNC(=O)c2cc(Cn3ccoc3=N)cc(c2)-c2cccnc2C(F)(F)F)cc(OC)c1 Show InChI InChI=1S/C26H23F3N4O4/c1-35-20-10-16(11-21(13-20)36-2)14-32-24(34)19-9-17(15-33-6-7-37-25(33)30)8-18(12-19)22-4-3-5-31-23(22)26(27,28)29/h3-13,30H,14-15H2,1-2H3,(H,32,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University US Patent					Assay Description A Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) assay that measures the displacement of the 10mer-Thr-FAM probe in response to compo...				US Patent US10844044 (2020) BindingDB Entry DOI: 10.7270/Q21R6TKB
					More data for this Ligand-Target Pair
WD repeat-containing protein 5 (Homo sapiens (Human))	BDBM473443 (US10844044, Example 337) Show SMILES Cc1cc(ccc1F)[C@@H](NC(=O)c1cc(CN2CCCC2=N)cc(c1)-c1cn(C)nc1C(F)(F)F)C1CC1 |r| Show InChI InChI=1S/C28H29F4N5O/c1-16-10-19(7-8-23(16)29)25(18-5-6-18)34-27(38)21-12-17(14-37-9-3-4-24(37)33)11-20(13-21)22-15-36(2)35-26(22)28(30,31)32/h7-8,10-13,15,18,25,33H,3-6,9,14H2,1-2H3,(H,34,38)/t25-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University US Patent					Assay Description A Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) assay that measures the displacement of the 10mer-Thr-FAM probe in response to compo...				US Patent US10844044 (2020) BindingDB Entry DOI: 10.7270/Q21R6TKB
					More data for this Ligand-Target Pair

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