Compile Data Set for Download or QSAR

Found 6557 hits with Last Name = 'juhl' and Initial = 'k'   

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
Neuromedin-K receptor (Homo sapiens (Human))	BDBM50337403 (CHEMBL1682668 | methyl 1-(((1R,2S)-2-(benzyl(methy...) Show SMILES COC(=O)NC1(CCN(C[C@@H]2C[C@@]2(C(=O)N(C)Cc2ccccc2)c2ccc(Cl)c(Cl)c2)CC1)c1ccccc1 |r| Show InChI InChI=1S/C32H35Cl2N3O3/c1-36(21-23-9-5-3-6-10-23)29(38)32(25-13-14-27(33)28(34)19-25)20-26(32)22-37-17-15-31(16-18-37,35-30(39)40-2)24-11-7-4-8-12-24/h3-14,19,26H,15-18,20-22H2,1-2H3,(H,35,39)/t26-,32+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia 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
H. Lundbeck A/S Curated by ChEMBL					Assay Description Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells				Bioorg Med Chem Lett 21: 1498-501 (2011) Article DOI: 10.1016/j.bmcl.2010.12.135 BindingDB Entry DOI: 10.7270/Q23J3D8R
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Homo sapiens (Human))	BDBM50337411 ((1S,2R)-1-(3,4-dichlorophenyl)-N-(4-fluorobenzyl)-...) Show SMILES CN(Cc1ccc(F)cc1)C(=O)[C@]1(C[C@H]1CN1CCN(CC(=O)N2CCCC2)CC1)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C29H35Cl2FN4O2/c1-33(18-21-4-7-24(32)8-5-21)28(38)29(22-6-9-25(30)26(31)16-22)17-23(29)19-34-12-14-35(15-13-34)20-27(37)36-10-2-3-11-36/h4-9,16,23H,2-3,10-15,17-20H2,1H3/t23-,29+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells				Bioorg Med Chem Lett 21: 1498-501 (2011) Article DOI: 10.1016/j.bmcl.2010.12.135 BindingDB Entry DOI: 10.7270/Q23J3D8R
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Homo sapiens (Human))	BDBM50337418 ((1S,2R)-1-(3,4-dichlorophenyl)-2-((3-(4-(N,N-dimet...) Show SMILES CN(C)S(=O)(=O)N1CCN(CC1)C1CN(C[C@@H]2C[C@@]2(C(=O)N(C)Cc2ccc(F)cc2)c2ccc(Cl)c(Cl)c2)C1 |r| Show InChI InChI=1S/C28H36Cl2FN5O3S/c1-32(2)40(38,39)36-12-10-35(11-13-36)24-18-34(19-24)17-22-15-28(22,21-6-9-25(29)26(30)14-21)27(37)33(3)16-20-4-7-23(31)8-5-20/h4-9,14,22,24H,10-13,15-19H2,1-3H3/t22-,28+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells				Bioorg Med Chem Lett 21: 1498-501 (2011) Article DOI: 10.1016/j.bmcl.2010.12.135 BindingDB Entry DOI: 10.7270/Q23J3D8R
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Homo sapiens (Human))	BDBM50337404 ((1S,2R)-N-benzyl-1-(3,4-dichlorophenyl)-2-((4-(3,3...) Show SMILES CN(C)C(=O)NC1(CCN(C[C@@H]2C[C@@]2(C(=O)N(C)Cc2ccccc2)c2ccc(Cl)c(Cl)c2)CC1)c1ccccc1 |r| Show InChI InChI=1S/C33H38Cl2N4O2/c1-37(2)31(41)36-32(25-12-8-5-9-13-25)16-18-39(19-17-32)23-27-21-33(27,26-14-15-28(34)29(35)20-26)30(40)38(3)22-24-10-6-4-7-11-24/h4-15,20,27H,16-19,21-23H2,1-3H3,(H,36,41)/t27-,33+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia 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
H. Lundbeck A/S Curated by ChEMBL					Assay Description Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells				Bioorg Med Chem Lett 21: 1498-501 (2011) Article DOI: 10.1016/j.bmcl.2010.12.135 BindingDB Entry DOI: 10.7270/Q23J3D8R
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Homo sapiens (Human))	BDBM50337409 ((1S,2R)-1-(3,4-dichlorophenyl)-N-(4-fluorobenzyl)-...) Show SMILES CN(Cc1ccc(F)cc1)C(=O)[C@]1(C[C@H]1CN1CCN(CC1)C(=O)CN1CCOCC1)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C29H35Cl2FN4O3/c1-33(18-21-2-5-24(32)6-3-21)28(38)29(22-4-7-25(30)26(31)16-22)17-23(29)19-34-8-10-36(11-9-34)27(37)20-35-12-14-39-15-13-35/h2-7,16,23H,8-15,17-20H2,1H3/t23-,29+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells				Bioorg Med Chem Lett 21: 1498-501 (2011) Article DOI: 10.1016/j.bmcl.2010.12.135 BindingDB Entry DOI: 10.7270/Q23J3D8R
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM270566 (N-(3-((2R,3S,5S)-6-amino-3,5-difluoro-2,5-dimethyl...) Show SMILES COc1ccc(nc1)C(=O)Nc1cc(F)c(F)c(c1)[C@@]1(C)N=C(N)[C@@](C)(F)C[C@@H]1F |r,t:23| Show InChI InChI=1S/C20H20F4N4O2/c1-19(24)8-15(22)20(2,28-18(19)25)12-6-10(7-13(21)16(12)23)27-17(29)14-5-4-11(30-3)9-26-14/h4-7,9,15H,8H2,1-3H3,(H2,25,28)(H,27,29)/t15-,19-,20+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3.60	-48.2	n/a	n/a	n/a	n/a	n/a	4.5	25
H. Lundbeck A/S US Patent					Assay Description The binding assay was performed as SPA-based assay using a biotinylated form of human BACE1 recombinantly expressed and subsequently purified from Fr...				US Patent US10059669 (2018) BindingDB Entry DOI: 10.7270/Q2K35WPJ
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Homo sapiens (Human))	BDBM50337407 (CHEMBL1682672 | N1-(1-(((1R,2S)-2-(benzyl(methyl)c...) Show SMILES CN(Cc1ccccc1)C(=O)[C@]1(C[C@H]1CN1CCC(CC1)(N(C)C(=O)C(N)=O)c1ccccc1)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C33H36Cl2N4O3/c1-37(21-23-9-5-3-6-10-23)31(42)33(25-13-14-27(34)28(35)19-25)20-26(33)22-39-17-15-32(16-18-39,24-11-7-4-8-12-24)38(2)30(41)29(36)40/h3-14,19,26H,15-18,20-22H2,1-2H3,(H2,36,40)/t26-,33+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells				Bioorg Med Chem Lett 21: 1498-501 (2011) Article DOI: 10.1016/j.bmcl.2010.12.135 BindingDB Entry DOI: 10.7270/Q23J3D8R
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Homo sapiens (Human))	BDBM50337410 ((1S,2R)-1-(3,4-dichlorophenyl)-N-(4-fluorobenzyl)-...) Show SMILES CN(Cc1ccc(F)cc1)C(=O)[C@]1(C[C@H]1CN1CCN(CCN2CCOCC2)CC1)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C29H37Cl2FN4O2/c1-33(20-22-2-5-25(32)6-3-22)28(37)29(23-4-7-26(30)27(31)18-23)19-24(29)21-36-12-10-34(11-13-36)8-9-35-14-16-38-17-15-35/h2-7,18,24H,8-17,19-21H2,1H3/t24-,29+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells				Bioorg Med Chem Lett 21: 1498-501 (2011) Article DOI: 10.1016/j.bmcl.2010.12.135 BindingDB Entry DOI: 10.7270/Q23J3D8R
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM270565 (N-(3-((2R,3S,5S)-6-amino-3,5-difluoro-2,5-dimethyl...) Show SMILES Cc1cc(cnc1C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)[C@@](C)(F)C[C@@H]1F)C#N |r,t:21| Show InChI InChI=1S/C21H20F3N5O/c1-11-6-12(9-25)10-27-17(11)18(30)28-13-4-5-15(22)14(7-13)21(3)16(23)8-20(2,24)19(26)29-21/h4-7,10,16H,8H2,1-3H3,(H2,26,29)(H,28,30)/t16-,20-,21+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	4.10	-47.9	n/a	n/a	n/a	n/a	n/a	4.5	25
H. Lundbeck A/S US Patent					Assay Description The binding assay was performed as SPA-based assay using a biotinylated form of human BACE1 recombinantly expressed and subsequently purified from Fr...				US Patent US10059669 (2018) BindingDB Entry DOI: 10.7270/Q2K35WPJ
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Homo sapiens (Human))	BDBM50337401 ((1S,2R)-N-benzyl-1-(3,4-dichlorophenyl)-N-methyl-2...) Show SMILES CN(Cc1ccccc1)C(=O)[C@]1(C[C@H]1CN1CCC(CC1)(N(C)C(C)=O)c1ccccc1)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C33H37Cl2N3O2/c1-24(39)37(3)32(26-12-8-5-9-13-26)16-18-38(19-17-32)23-28-21-33(28,27-14-15-29(34)30(35)20-27)31(40)36(2)22-25-10-6-4-7-11-25/h4-15,20,28H,16-19,21-23H2,1-3H3/t28-,33+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia 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
H. Lundbeck A/S Curated by ChEMBL					Assay Description Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells				Bioorg Med Chem Lett 21: 1498-501 (2011) Article DOI: 10.1016/j.bmcl.2010.12.135 BindingDB Entry DOI: 10.7270/Q23J3D8R
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM234465 (US10004738, 18 | US9353084, 18) Show SMILES Cc1cc(cnc1C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)[C@@](C)(F)CC1(F)F)C#N |r,t:21| Show InChI InChI=1S/C21H19F4N5O/c1-11-6-12(8-26)9-28-16(11)17(31)29-13-4-5-15(22)14(7-13)20(3)21(24,25)10-19(2,23)18(27)30-20/h4-7,9H,10H2,1-3H3,(H2,27,30)(H,29,31)/t19-,20+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	4.30	n/a	n/a	n/a	n/a	n/a	n/a	4.5	n/a
H. Lundbeck A/S US Patent					Assay Description The binding assay was performed as SPA-based assay using a biotinylated form of human BACE1 recombinantly expressed and subsequently purified from Fr...				US Patent US9353084 (2016) BindingDB Entry DOI: 10.7270/Q2MG7NDX
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM234465 (US10004738, 18 | US9353084, 18) Show SMILES Cc1cc(cnc1C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)[C@@](C)(F)CC1(F)F)C#N |r,t:21| Show InChI InChI=1S/C21H19F4N5O/c1-11-6-12(8-26)9-28-16(11)17(31)29-13-4-5-15(22)14(7-13)20(3)21(24,25)10-19(2,23)18(27)30-20/h4-7,9H,10H2,1-3H3,(H2,27,30)(H,29,31)/t19-,20+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	4.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description The binding assay was performed as SPA-based assay using a biotinylated form of human BACE1 recombinantly expressed and subsequently purified from Fr...				J Med Chem 52: 6621-36 (2009) BindingDB Entry DOI: 10.7270/Q2B85BGS
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM270568 (N-(3-((2R,3S,5S)-6-amino-3,5-difluoro-2,5-dimethyl...) Show SMILES C[C@]1(F)C[C@H](F)[C@](C)(N=C1N)c1cc(NC(=O)c2ccc(Br)cn2)ccc1F |r,c:8| Show InChI InChI=1S/C19H18BrF3N4O/c1-18(23)8-15(22)19(2,27-17(18)24)12-7-11(4-5-13(12)21)26-16(28)14-6-3-10(20)9-25-14/h3-7,9,15H,8H2,1-2H3,(H2,24,27)(H,26,28)/t15-,18-,19+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	4.30	-47.8	n/a	n/a	n/a	n/a	n/a	4.5	25
H. Lundbeck A/S US Patent					Assay Description The binding assay was performed as SPA-based assay using a biotinylated form of human BACE1 recombinantly expressed and subsequently purified from Fr...				US Patent US10059669 (2018) BindingDB Entry DOI: 10.7270/Q2K35WPJ
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Homo sapiens (Human))	BDBM50337435 (CHEMBL1682637 | rac-2-((4-acetamido-4-phenylpiperi...) Show SMILES CN(Cc1ccc(cc1)C(F)(F)F)C(=O)C1(CC1CN1CCC(CC1)(NC(C)=O)c1ccccc1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C33H34Cl2F3N3O2/c1-22(42)39-31(24-6-4-3-5-7-24)14-16-41(17-15-31)21-27-19-32(27,26-12-13-28(34)29(35)18-26)30(43)40(2)20-23-8-10-25(11-9-23)33(36,37)38/h3-13,18,27H,14-17,19-21H2,1-2H3,(H,39,42)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells				Bioorg Med Chem Lett 21: 1498-501 (2011) Article DOI: 10.1016/j.bmcl.2010.12.135 BindingDB Entry DOI: 10.7270/Q23J3D8R
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Homo sapiens (Human))	BDBM50337425 (CHEMBL1682628 | rac-2-((4-acetamido-4-phenylpiperi...) Show SMILES CN(Cc1ccccc1C)C(=O)C1(CC1CN1CCC(CC1)(NC(C)=O)c1ccccc1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C33H37Cl2N3O2/c1-23-9-7-8-10-25(23)21-37(3)31(40)33(27-13-14-29(34)30(35)19-27)20-28(33)22-38-17-15-32(16-18-38,36-24(2)39)26-11-5-4-6-12-26/h4-14,19,28H,15-18,20-22H2,1-3H3,(H,36,39)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells				Bioorg Med Chem Lett 21: 1498-501 (2011) Article DOI: 10.1016/j.bmcl.2010.12.135 BindingDB Entry DOI: 10.7270/Q23J3D8R
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Homo sapiens (Human))	BDBM50337405 ((1S,2R)-N-benzyl-1-(3,4-dichlorophenyl)-N-methyl-2...) Show SMILES CNC(=O)NC1(CCN(C[C@@H]2C[C@@]2(C(=O)N(C)Cc2ccccc2)c2ccc(Cl)c(Cl)c2)CC1)c1ccccc1 |r| Show InChI InChI=1S/C32H36Cl2N4O2/c1-35-30(40)36-31(24-11-7-4-8-12-24)15-17-38(18-16-31)22-26-20-32(26,25-13-14-27(33)28(34)19-25)29(39)37(2)21-23-9-5-3-6-10-23/h3-14,19,26H,15-18,20-22H2,1-2H3,(H2,35,36,40)/t26-,32+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells				Bioorg Med Chem Lett 21: 1498-501 (2011) Article DOI: 10.1016/j.bmcl.2010.12.135 BindingDB Entry DOI: 10.7270/Q23J3D8R
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM269485 ( (S)-N-(3-(6-amino-3,3-difluoro-2-(fluoromethyl)-2...) Show SMILES NC1=N[C@](CF)(c2cc(NC(=O)c3ccc(Cl)cn3)ccc2F)C(F)(F)CC1 |r,t:1| Show InChI InChI=1S/C18H15ClF4N4O/c19-10-1-4-14(25-8-10)16(28)26-11-2-3-13(21)12(7-11)17(9-20)18(22,23)6-5-15(24)27-17/h1-4,7-8H,5-6,9H2,(H2,24,27)(H,26,28)/t17-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	5.70	-47.1	n/a	n/a	n/a	n/a	n/a	4.5	25
H. Lundbeck A/S US Patent					Assay Description The binding assay was performed as SPA-based assay using a biotinylated form of human BACE1 recombinantly expressed and subsequently purified from Fr...				US Patent US10058540 (2018) BindingDB Entry DOI: 10.7270/Q2GB262J
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Homo sapiens (Human))	BDBM50337431 ((1S,2R)-2-((4-acetamido-4-phenylpiperidin-1-yl)met...) Show SMILES CN(Cc1ccc(F)cc1)C(=O)[C@]1(C[C@H]1CN1CCC(CC1)(NC(C)=O)c1ccccc1)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C32H34Cl2FN3O2/c1-22(39)36-31(24-6-4-3-5-7-24)14-16-38(17-15-31)21-26-19-32(26,25-10-13-28(33)29(34)18-25)30(40)37(2)20-23-8-11-27(35)12-9-23/h3-13,18,26H,14-17,19-21H2,1-2H3,(H,36,39)/t26-,32+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells				Bioorg Med Chem Lett 21: 1498-501 (2011) Article DOI: 10.1016/j.bmcl.2010.12.135 BindingDB Entry DOI: 10.7270/Q23J3D8R
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Homo sapiens (Human))	BDBM50337416 ((1S,2R)-1-(3,4-dichlorophenyl)-N-(4-fluorobenzyl)-...) Show SMILES CN(Cc1ccc(F)cc1)C(=O)[C@]1(C[C@H]1CN1CCN(CC1)S(=O)(=O)N1CCCC1)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C27H33Cl2FN4O3S/c1-31(18-20-4-7-23(30)8-5-20)26(35)27(21-6-9-24(28)25(29)16-21)17-22(27)19-32-12-14-34(15-13-32)38(36,37)33-10-2-3-11-33/h4-9,16,22H,2-3,10-15,17-19H2,1H3/t22-,27+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells				Bioorg Med Chem Lett 21: 1498-501 (2011) Article DOI: 10.1016/j.bmcl.2010.12.135 BindingDB Entry DOI: 10.7270/Q23J3D8R
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Homo sapiens (Human))	BDBM50337441 (CHEMBL1682643 | rac-2-((4-acetamido-4-phenylpiperi...) Show SMILES COc1ccc(CN(C)C(=O)C2(CC2CN2CCC(CC2)(NC(C)=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)c(OC)c1 Show InChI InChI=1S/C34H39Cl2N3O4/c1-23(40)37-33(25-8-6-5-7-9-25)14-16-39(17-15-33)22-27-20-34(27,26-11-13-29(35)30(36)18-26)32(41)38(2)21-24-10-12-28(42-3)19-31(24)43-4/h5-13,18-19,27H,14-17,20-22H2,1-4H3,(H,37,40)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells				Bioorg Med Chem Lett 21: 1498-501 (2011) Article DOI: 10.1016/j.bmcl.2010.12.135 BindingDB Entry DOI: 10.7270/Q23J3D8R
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Homo sapiens (Human))	BDBM50337421 ((1S,2R)-2-((4-acetamido-4-phenylpiperidin-1-yl)met...) Show SMILES CN(Cc1ccccc1)C(=O)[C@]1(C[C@H]1CN1CCC(CC1)(NC(C)=O)c1ccccc1)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C32H35Cl2N3O2/c1-23(38)35-31(25-11-7-4-8-12-25)15-17-37(18-16-31)22-27-20-32(27,26-13-14-28(33)29(34)19-26)30(39)36(2)21-24-9-5-3-6-10-24/h3-14,19,27H,15-18,20-22H2,1-2H3,(H,35,38)/t27-,32+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells				Bioorg Med Chem Lett 21: 1498-501 (2011) Article DOI: 10.1016/j.bmcl.2010.12.135 BindingDB Entry DOI: 10.7270/Q23J3D8R
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM230876 (US10045974, 12 | US10603310, Compound 12 | US93467...) Show SMILES NC1=N[C@](C(F)F)(c2cc(NC(=O)c3ccc(Br)cn3)ccc2F)C(F)(F)CC1 |r,t:1| Show InChI InChI=1S/C18H14BrF5N4O/c19-9-1-4-13(26-8-9)15(29)27-10-2-3-12(20)11(7-10)18(16(21)22)17(23,24)6-5-14(25)28-18/h1-4,7-8,16H,5-6H2,(H2,25,28)(H,27,29)/t18-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	6.10	-46.9	n/a	n/a	n/a	n/a	n/a	4.5	25
H. Lundbeck A/S US Patent					Assay Description The binding assay was performed as SPA-based assay using a biotinylated form of human BACE1 recombinantly expressed and subsequently purified from Fr...				US Patent US10045974 (2018) BindingDB Entry DOI: 10.7270/Q2T72KF3
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Homo sapiens (Human))	BDBM50337402 ((1S,2R)-N-benzyl-1-(3,4-dichlorophenyl)-N-methyl-2...) Show SMILES CN(Cc1ccccc1)C(=O)[C@]1(C[C@H]1CN1CCC(CC1)(C(=O)N1CCCCC1)c1ccccc1)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C36H41Cl2N3O2/c1-39(25-27-11-5-2-6-12-27)34(43)36(29-15-16-31(37)32(38)23-29)24-30(36)26-40-21-17-35(18-22-40,28-13-7-3-8-14-28)33(42)41-19-9-4-10-20-41/h2-3,5-8,11-16,23,30H,4,9-10,17-22,24-26H2,1H3/t30-,36+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells				Bioorg Med Chem Lett 21: 1498-501 (2011) Article DOI: 10.1016/j.bmcl.2010.12.135 BindingDB Entry DOI: 10.7270/Q23J3D8R
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM230876 (US10045974, 12 | US10603310, Compound 12 | US93467...) Show SMILES NC1=N[C@](C(F)F)(c2cc(NC(=O)c3ccc(Br)cn3)ccc2F)C(F)(F)CC1 |r,t:1| Show InChI InChI=1S/C18H14BrF5N4O/c19-9-1-4-13(26-8-9)15(29)27-10-2-3-12(20)11(7-10)18(16(21)22)17(23,24)6-5-14(25)28-18/h1-4,7-8,16H,5-6H2,(H2,25,28)(H,27,29)/t18-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	6.10	-46.9	n/a	n/a	n/a	n/a	n/a	4.5	25
H. Lundbeck A/S US Patent					Assay Description The binding assay was performed as SPA-based assay using a biotinylated form of human BACE1 recombinantly expressed and subsequently purified from Fr...				US Patent US9346797 (2016) BindingDB Entry DOI: 10.7270/Q25T3JC4
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM230876 (US10045974, 12 | US10603310, Compound 12 | US93467...) Show SMILES NC1=N[C@](C(F)F)(c2cc(NC(=O)c3ccc(Br)cn3)ccc2F)C(F)(F)CC1 |r,t:1| Show InChI InChI=1S/C18H14BrF5N4O/c19-9-1-4-13(26-8-9)15(29)27-10-2-3-12(20)11(7-10)18(16(21)22)17(23,24)6-5-14(25)28-18/h1-4,7-8,16H,5-6H2,(H2,25,28)(H,27,29)/t18-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	6.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S US Patent					Assay Description The binding assay was performed as SPA-based assay using a biotinylated form of human BACE1 recombinantly expressed and subsequently purified from Fr...				US Patent US10603310 (2020) BindingDB Entry DOI: 10.7270/Q24X5BTZ
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM230869 (US10045974, 13 | US10603310, Compound 13 | US93467...) Show SMILES COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)CCC1(F)F)C(F)F |r,t:21| Show InChI InChI=1S/C19H17F5N4O2/c1-30-11-3-5-14(26-9-11)16(29)27-10-2-4-13(20)12(8-10)19(17(21)22)18(23,24)7-6-15(25)28-19/h2-5,8-9,17H,6-7H2,1H3,(H2,25,28)(H,27,29)/t19-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	6.70	-46.7	n/a	n/a	n/a	n/a	n/a	4.5	25
H. Lundbeck A/S US Patent					Assay Description The binding assay was performed as SPA-based assay using a biotinylated form of human BACE1 recombinantly expressed and subsequently purified from Fr...				US Patent US9346797 (2016) BindingDB Entry DOI: 10.7270/Q25T3JC4
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM230869 (US10045974, 13 | US10603310, Compound 13 | US93467...) Show SMILES COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)CCC1(F)F)C(F)F |r,t:21| Show InChI InChI=1S/C19H17F5N4O2/c1-30-11-3-5-14(26-9-11)16(29)27-10-2-4-13(20)12(8-10)19(17(21)22)18(23,24)7-6-15(25)28-19/h2-5,8-9,17H,6-7H2,1H3,(H2,25,28)(H,27,29)/t19-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	6.70	-46.7	n/a	n/a	n/a	n/a	n/a	4.5	25
H. Lundbeck A/S US Patent					Assay Description The binding assay was performed as SPA-based assay using a biotinylated form of human BACE1 recombinantly expressed and subsequently purified from Fr...				US Patent US10045974 (2018) BindingDB Entry DOI: 10.7270/Q2T72KF3
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM230869 (US10045974, 13 | US10603310, Compound 13 | US93467...) Show SMILES COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)CCC1(F)F)C(F)F |r,t:21| Show InChI InChI=1S/C19H17F5N4O2/c1-30-11-3-5-14(26-9-11)16(29)27-10-2-4-13(20)12(8-10)19(17(21)22)18(23,24)7-6-15(25)28-19/h2-5,8-9,17H,6-7H2,1H3,(H2,25,28)(H,27,29)/t19-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	6.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S US Patent					Assay Description The binding assay was performed as SPA-based assay using a biotinylated form of human BACE1 recombinantly expressed and subsequently purified from Fr...				US Patent US10603310 (2020) BindingDB Entry DOI: 10.7270/Q24X5BTZ
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM270562 (N-(3-((2R,3S,5R)-6-amino-3,5-difluoro-2,5-dimethyl...) Show SMILES COc1ccc(nc1)C(=O)Nc1cc(F)c(F)c(c1)[C@@]1(C)N=C(N)[C@](C)(F)C[C@@H]1F |r,t:23| Show InChI InChI=1S/C20H20F4N4O2/c1-19(24)8-15(22)20(2,28-18(19)25)12-6-10(7-13(21)16(12)23)27-17(29)14-5-4-11(30-3)9-26-14/h4-7,9,15H,8H2,1-3H3,(H2,25,28)(H,27,29)/t15-,19+,20+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	6.80	-46.6	n/a	n/a	n/a	n/a	n/a	4.5	25
H. Lundbeck A/S US Patent					Assay Description The binding assay was performed as SPA-based assay using a biotinylated form of human BACE1 recombinantly expressed and subsequently purified from Fr...				US Patent US10059669 (2018) BindingDB Entry DOI: 10.7270/Q2K35WPJ
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM228168 ((S)-N-(3-(6-amino-2-(difluoromethyl)-3,3-difluoro-...) Show SMILES COc1cnc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)CCC1(F)F)C(F)F |r,t:21| Show InChI InChI=1S/C18H16F5N5O2/c1-30-10-7-25-14(26-8-10)15(29)27-9-2-3-12(19)11(6-9)18(16(20)21)17(22,23)5-4-13(24)28-18/h2-3,6-8,16H,4-5H2,1H3,(H2,24,28)(H,27,29)/t18-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	6.90	-46.6	n/a	n/a	n/a	n/a	n/a	4.5	25
H. Lundbeck A/S US Patent					Assay Description The binding assay was performed as SPA-based assay using a biotinylated form of human BACE1 recombinantly expressed and subsequently purified from Fr...				US Patent US10045974 (2018) BindingDB Entry DOI: 10.7270/Q2T72KF3
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM230873 (US9346797, 9) Show SMILES COc1cnc(nc1)C(=O)Oc1ccc(F)c(c1)[C@]1(N=C(N)CCC1(F)F)C(F)F |r,t:21| Show InChI InChI=1S/C18H15F5N4O3/c1-29-10-7-25-14(26-8-10)15(28)30-9-2-3-12(19)11(6-9)18(16(20)21)17(22,23)5-4-13(24)27-18/h2-3,6-8,16H,4-5H2,1H3,(H2,24,27)/t18-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	6.90	-46.6	n/a	n/a	n/a	n/a	n/a	4.5	25
H. Lundbeck A/S US Patent					Assay Description The binding assay was performed as SPA-based assay using a biotinylated form of human BACE1 recombinantly expressed and subsequently purified from Fr...				US Patent US9346797 (2016) BindingDB Entry DOI: 10.7270/Q25T3JC4
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM228168 ((S)-N-(3-(6-amino-2-(difluoromethyl)-3,3-difluoro-...) Show SMILES COc1cnc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)CCC1(F)F)C(F)F |r,t:21| Show InChI InChI=1S/C18H16F5N5O2/c1-30-10-7-25-14(26-8-10)15(29)27-9-2-3-12(19)11(6-9)18(16(20)21)17(22,23)5-4-13(24)28-18/h2-3,6-8,16H,4-5H2,1H3,(H2,24,28)(H,27,29)/t18-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	6.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S US Patent					Assay Description The binding assay was performed as SPA-based assay using a biotinylated form of human BACE1 recombinantly expressed and subsequently purified from Fr...				US Patent US10603310 (2020) BindingDB Entry DOI: 10.7270/Q24X5BTZ
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Homo sapiens (Human))	BDBM50337397 ((1S,2R)-2-((4-acetamido-4-phenylpiperidin-1-yl)met...) Show SMILES CN(Cc1ccc(F)cc1)C(=O)[C@]1(C[C@H]1CN1CCC(CC1)(NC(C)=O)c1ccccc1)c1ccc(C)c(C)c1 |r| Show InChI InChI=1S/C34H40FN3O2/c1-24-10-13-29(20-25(24)2)34(32(40)37(4)22-27-11-14-31(35)15-12-27)21-30(34)23-38-18-16-33(17-19-38,36-26(3)39)28-8-6-5-7-9-28/h5-15,20,30H,16-19,21-23H2,1-4H3,(H,36,39)/t30-,34+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells				Bioorg Med Chem Lett 21: 1498-501 (2011) Article DOI: 10.1016/j.bmcl.2010.12.135 BindingDB Entry DOI: 10.7270/Q23J3D8R
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Homo sapiens (Human))	BDBM50337413 ((1S,2R)-1-(3,4-dichlorophenyl)-N-(4-fluorobenzyl)-...) Show SMILES CN(Cc1ccc(F)cc1)C(=O)[C@]1(C[C@H]1CN1CCN(CC1)C(=O)CN1CCCCC1)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C30H37Cl2FN4O2/c1-34(19-22-5-8-25(33)9-6-22)29(39)30(23-7-10-26(31)27(32)17-23)18-24(30)20-36-13-15-37(16-14-36)28(38)21-35-11-3-2-4-12-35/h5-10,17,24H,2-4,11-16,18-21H2,1H3/t24-,30+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells				Bioorg Med Chem Lett 21: 1498-501 (2011) Article DOI: 10.1016/j.bmcl.2010.12.135 BindingDB Entry DOI: 10.7270/Q23J3D8R
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM230871 (US10045974, 7 | US10603310, Compound 7 | US9346797...) Show SMILES NC1=N[C@](C(F)F)(c2cc(NC(=O)c3ccc(cn3)C#N)ccc2F)C(F)(F)CC1 |r,t:1| Show InChI InChI=1S/C19H14F5N5O/c20-13-3-2-11(28-16(30)14-4-1-10(8-25)9-27-14)7-12(13)19(17(21)22)18(23,24)6-5-15(26)29-19/h1-4,7,9,17H,5-6H2,(H2,26,29)(H,28,30)/t19-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	7.40	-46.4	n/a	n/a	n/a	n/a	n/a	4.5	25
H. Lundbeck A/S US Patent					Assay Description The binding assay was performed as SPA-based assay using a biotinylated form of human BACE1 recombinantly expressed and subsequently purified from Fr...				US Patent US9346797 (2016) BindingDB Entry DOI: 10.7270/Q25T3JC4
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM230871 (US10045974, 7 | US10603310, Compound 7 | US9346797...) Show SMILES NC1=N[C@](C(F)F)(c2cc(NC(=O)c3ccc(cn3)C#N)ccc2F)C(F)(F)CC1 |r,t:1| Show InChI InChI=1S/C19H14F5N5O/c20-13-3-2-11(28-16(30)14-4-1-10(8-25)9-27-14)7-12(13)19(17(21)22)18(23,24)6-5-15(26)29-19/h1-4,7,9,17H,5-6H2,(H2,26,29)(H,28,30)/t19-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	7.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S US Patent					Assay Description The binding assay was performed as SPA-based assay using a biotinylated form of human BACE1 recombinantly expressed and subsequently purified from Fr...				US Patent US10603310 (2020) BindingDB Entry DOI: 10.7270/Q24X5BTZ
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM230871 (US10045974, 7 | US10603310, Compound 7 | US9346797...) Show SMILES NC1=N[C@](C(F)F)(c2cc(NC(=O)c3ccc(cn3)C#N)ccc2F)C(F)(F)CC1 |r,t:1| Show InChI InChI=1S/C19H14F5N5O/c20-13-3-2-11(28-16(30)14-4-1-10(8-25)9-27-14)7-12(13)19(17(21)22)18(23,24)6-5-15(26)29-19/h1-4,7,9,17H,5-6H2,(H2,26,29)(H,28,30)/t19-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	7.40	-46.4	n/a	n/a	n/a	n/a	n/a	4.5	25
H. Lundbeck A/S US Patent					Assay Description The binding assay was performed as SPA-based assay using a biotinylated form of human BACE1 recombinantly expressed and subsequently purified from Fr...				US Patent US10045974 (2018) BindingDB Entry DOI: 10.7270/Q2T72KF3
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Homo sapiens (Human))	BDBM50337433 (CHEMBL1681797 | rac-2-((4-acetamido-4-phenylpiperi...) Show SMILES CN(Cc1ccc(C)cc1)C(=O)C1(CC1CN1CCC(CC1)(NC(C)=O)c1ccccc1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C33H37Cl2N3O2/c1-23-9-11-25(12-10-23)21-37(3)31(40)33(27-13-14-29(34)30(35)19-27)20-28(33)22-38-17-15-32(16-18-38,36-24(2)39)26-7-5-4-6-8-26/h4-14,19,28H,15-18,20-22H2,1-3H3,(H,36,39)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells				Bioorg Med Chem Lett 21: 1498-501 (2011) Article DOI: 10.1016/j.bmcl.2010.12.135 BindingDB Entry DOI: 10.7270/Q23J3D8R
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Homo sapiens (Human))	BDBM50337415 ((1S,2R)-1-(3,4-dichlorophenyl)-2-((4-(N,N-dimethyl...) Show SMILES CN(C)S(=O)(=O)N1CCN(C[C@@H]2C[C@@]2(C(=O)N(C)Cc2ccc(F)cc2)c2ccc(Cl)c(Cl)c2)CC1 |r| Show InChI InChI=1S/C25H31Cl2FN4O3S/c1-29(2)36(34,35)32-12-10-31(11-13-32)17-20-15-25(20,19-6-9-22(26)23(27)14-19)24(33)30(3)16-18-4-7-21(28)8-5-18/h4-9,14,20H,10-13,15-17H2,1-3H3/t20-,25+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells				Bioorg Med Chem Lett 21: 1498-501 (2011) Article DOI: 10.1016/j.bmcl.2010.12.135 BindingDB Entry DOI: 10.7270/Q23J3D8R
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM228170 ((S)-N-(3-(6-amino-2-(difluoromethyl)-3,3-difluoro-...) Show SMILES Cc1cc(cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)CCC1(F)F)C(F)F)C#N |r,t:20| Show InChI InChI=1S/C20H16F5N5O/c1-10-6-11(8-26)9-28-16(10)17(31)29-12-2-3-14(21)13(7-12)20(18(22)23)19(24,25)5-4-15(27)30-20/h2-3,6-7,9,18H,4-5H2,1H3,(H2,27,30)(H,29,31)/t20-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	7.80	-46.3	n/a	n/a	n/a	n/a	n/a	4.5	25
H. Lundbeck A/S US Patent					Assay Description The binding assay was performed as SPA-based assay using a biotinylated form of human BACE1 recombinantly expressed and subsequently purified from Fr...				US Patent US9346797 (2016) BindingDB Entry DOI: 10.7270/Q25T3JC4
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM228170 ((S)-N-(3-(6-amino-2-(difluoromethyl)-3,3-difluoro-...) Show SMILES Cc1cc(cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)CCC1(F)F)C(F)F)C#N |r,t:20| Show InChI InChI=1S/C20H16F5N5O/c1-10-6-11(8-26)9-28-16(10)17(31)29-12-2-3-14(21)13(7-12)20(18(22)23)19(24,25)5-4-15(27)30-20/h2-3,6-7,9,18H,4-5H2,1H3,(H2,27,30)(H,29,31)/t20-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	7.80	-46.3	n/a	n/a	n/a	n/a	n/a	4.5	25
H. Lundbeck A/S US Patent					Assay Description The binding assay was performed as SPA-based assay using a biotinylated form of human BACE1 recombinantly expressed and subsequently purified from Fr...				US Patent US10045974 (2018) BindingDB Entry DOI: 10.7270/Q2T72KF3
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM228170 ((S)-N-(3-(6-amino-2-(difluoromethyl)-3,3-difluoro-...) Show SMILES Cc1cc(cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)CCC1(F)F)C(F)F)C#N |r,t:20| Show InChI InChI=1S/C20H16F5N5O/c1-10-6-11(8-26)9-28-16(10)17(31)29-12-2-3-14(21)13(7-12)20(18(22)23)19(24,25)5-4-15(27)30-20/h2-3,6-7,9,18H,4-5H2,1H3,(H2,27,30)(H,29,31)/t20-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	7.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S US Patent					Assay Description The binding assay was performed as SPA-based assay using a biotinylated form of human BACE1 recombinantly expressed and subsequently purified from Fr...				US Patent US10603310 (2020) BindingDB Entry DOI: 10.7270/Q24X5BTZ
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Homo sapiens (Human))	BDBM50337408 ((1S,2R)-N-benzyl-1-(3,4-dichlorophenyl)-N-methyl-2...) Show SMILES CN(Cc1ccccc1)C(=O)[C@]1(C[C@H]1CN1CCC(CC1)(NS(C)(=O)=O)c1ccccc1)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C31H35Cl2N3O3S/c1-35(21-23-9-5-3-6-10-23)29(37)31(25-13-14-27(32)28(33)19-25)20-26(31)22-36-17-15-30(16-18-36,34-40(2,38)39)24-11-7-4-8-12-24/h3-14,19,26,34H,15-18,20-22H2,1-2H3/t26-,31+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	7.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells				Bioorg Med Chem Lett 21: 1498-501 (2011) Article DOI: 10.1016/j.bmcl.2010.12.135 BindingDB Entry DOI: 10.7270/Q23J3D8R
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM230867 (US10045974, 14 | US10603310, Compound 14 | US93467...) Show SMILES COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)CCC1(F)F)C(F)F |r,t:21| Show InChI InChI=1S/C18H16F5N5O2/c1-30-14-8-25-12(7-26-14)15(29)27-9-2-3-11(19)10(6-9)18(16(20)21)17(22,23)5-4-13(24)28-18/h2-3,6-8,16H,4-5H2,1H3,(H2,24,28)(H,27,29)/t18-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	8.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S US Patent					Assay Description The binding assay was performed as SPA-based assay using a biotinylated form of human BACE1 recombinantly expressed and subsequently purified from Fr...				US Patent US10603310 (2020) BindingDB Entry DOI: 10.7270/Q24X5BTZ
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM230867 (US10045974, 14 | US10603310, Compound 14 | US93467...) Show SMILES COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)CCC1(F)F)C(F)F |r,t:21| Show InChI InChI=1S/C18H16F5N5O2/c1-30-14-8-25-12(7-26-14)15(29)27-9-2-3-11(19)10(6-9)18(16(20)21)17(22,23)5-4-13(24)28-18/h2-3,6-8,16H,4-5H2,1H3,(H2,24,28)(H,27,29)/t18-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	8.5	-46.1	n/a	n/a	n/a	n/a	n/a	4.5	25
H. Lundbeck A/S US Patent					Assay Description The binding assay was performed as SPA-based assay using a biotinylated form of human BACE1 recombinantly expressed and subsequently purified from Fr...				US Patent US9346797 (2016) BindingDB Entry DOI: 10.7270/Q25T3JC4
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM230867 (US10045974, 14 | US10603310, Compound 14 | US93467...) Show SMILES COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)CCC1(F)F)C(F)F |r,t:21| Show InChI InChI=1S/C18H16F5N5O2/c1-30-14-8-25-12(7-26-14)15(29)27-9-2-3-11(19)10(6-9)18(16(20)21)17(22,23)5-4-13(24)28-18/h2-3,6-8,16H,4-5H2,1H3,(H2,24,28)(H,27,29)/t18-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	8.5	-46.1	n/a	n/a	n/a	n/a	n/a	4.5	25
H. Lundbeck A/S US Patent					Assay Description The binding assay was performed as SPA-based assay using a biotinylated form of human BACE1 recombinantly expressed and subsequently purified from Fr...				US Patent US10045974 (2018) BindingDB Entry DOI: 10.7270/Q2T72KF3
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Homo sapiens (Human))	BDBM50337417 ((1S,2R)-2-((4-(2-(azepan-1-yl)acetyl)piperazin-1-y...) Show SMILES CN(Cc1ccc(F)cc1)C(=O)[C@]1(C[C@H]1CN1CCN(CC1)C(=O)CN1CCCCCC1)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C31H39Cl2FN4O2/c1-35(20-23-6-9-26(34)10-7-23)30(40)31(24-8-11-27(32)28(33)18-24)19-25(31)21-37-14-16-38(17-15-37)29(39)22-36-12-4-2-3-5-13-36/h6-11,18,25H,2-5,12-17,19-22H2,1H3/t25-,31+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells				Bioorg Med Chem Lett 21: 1498-501 (2011) Article DOI: 10.1016/j.bmcl.2010.12.135 BindingDB Entry DOI: 10.7270/Q23J3D8R
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM269499 ((S)-N-(3-(6-amino-3,3-difluoro-2-(fluoromethyl)-2,...) Show SMILES COc1ccc(nc1)C(=O)Nc1cc(F)c(F)c(c1)[C@@]1(CF)N=C(N)CCC1(F)F |r,t:24| Show InChI InChI=1S/C19H17F5N4O2/c1-30-11-2-3-14(26-8-11)17(29)27-10-6-12(16(22)13(21)7-10)18(9-20)19(23,24)5-4-15(25)28-18/h2-3,6-8H,4-5,9H2,1H3,(H2,25,28)(H,27,29)/t18-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	9	-45.9	n/a	n/a	n/a	n/a	n/a	4.5	25
H. Lundbeck A/S US Patent					Assay Description The binding assay was performed as SPA-based assay using a biotinylated form of human BACE1 recombinantly expressed and subsequently purified from Fr...				US Patent US10058540 (2018) BindingDB Entry DOI: 10.7270/Q2GB262J
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM234464 (US10004738, 48 | US9353084, 17) Show SMILES COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)[C@@](C)(F)CC1(F)F |r,t:22| Show InChI InChI=1S/C20H20F4N4O2/c1-18(22)10-20(23,24)19(2,28-17(18)25)13-8-11(4-6-14(13)21)27-16(29)15-7-5-12(30-3)9-26-15/h4-9H,10H2,1-3H3,(H2,25,28)(H,27,29)/t18-,19+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description The binding assay was performed as SPA-based assay using a biotinylated form of human BACE1 recombinantly expressed and subsequently purified from Fr...				J Med Chem 52: 6621-36 (2009) BindingDB Entry DOI: 10.7270/Q2B85BGS
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM269503 ((S)-N-(3-(6-amino-3,3-difluoro-2-(fluoromethyl)-2,...) Show SMILES NC1=N[C@](CF)(c2cc(NC(=O)c3ccc(Br)cn3)ccc2F)C(F)(F)CC1 |r,t:1| Show InChI InChI=1S/C18H15BrF4N4O/c19-10-1-4-14(25-8-10)16(28)26-11-2-3-13(21)12(7-11)17(9-20)18(22,23)6-5-15(24)27-17/h1-4,7-8H,5-6,9H2,(H2,24,27)(H,26,28)/t17-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	11	-45.4	n/a	n/a	n/a	n/a	n/a	4.5	25
H. Lundbeck A/S US Patent					Assay Description The binding assay was performed as SPA-based assay using a biotinylated form of human BACE1 recombinantly expressed and subsequently purified from Fr...				US Patent US10058540 (2018) BindingDB Entry DOI: 10.7270/Q2GB262J
					More data for this Ligand-Target Pair

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