Compile Data Set for Download or QSAR

Found 855 hits with Last Name = 'boyer' and Initial = 'n'   

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
Substance-P receptor (Homo sapiens (Human))	BDBM50220136 (3-[2-{1-[3,5-di(trifluoromethyl)phenyl]ethoxy}-3-(...) Show SMILES C[C@@H](O[C@H]1OCCN(Cc2n[nH]c(=O)[nH]2)[C@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C23H21F7N4O3/c1-12(14-8-15(22(25,26)27)10-16(9-14)23(28,29)30)37-20-19(13-2-4-17(24)5-3-13)34(6-7-36-20)11-18-31-21(35)33-32-18/h2-5,8-10,12,19-20H,6-7,11H2,1H3,(H2,31,32,33,35)/t12-,19+,20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	0.0794	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montr£al Curated by ChEMBL					Assay Description Binding affinity to NK1 receptor (unknown origin)				Bioorg Med Chem Lett 24: 510-4 (2014) Article DOI: 10.1016/j.bmcl.2013.12.033 BindingDB Entry DOI: 10.7270/Q2KS6T1G
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Homo sapiens (Human))	BDBM50291261 ((S)-(+)-N-((3-[1-Benzoyl-3-(3,4-dichlorophenyl)pip...) Show SMILES CN(C(C)=O)C1(CCN(CCC[C@@]2(CCCN(C2)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1)c1ccccc1 |r| Show InChI InChI=1S/C35H41Cl2N3O2/c1-27(41)38(2)35(29-13-7-4-8-14-29)19-23-39(24-20-35)21-9-17-34(30-15-16-31(36)32(37)25-30)18-10-22-40(26-34)33(42)28-11-5-3-6-12-28/h3-8,11-16,25H,9-10,17-24,26H2,1-2H3/t34-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montr£al Curated by ChEMBL					Assay Description Binding affinity to NK3 receptor (unknown origin)				Bioorg Med Chem Lett 24: 510-4 (2014) Article DOI: 10.1016/j.bmcl.2013.12.033 BindingDB Entry DOI: 10.7270/Q2KS6T1G
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Homo sapiens (Human))	BDBM50445820 (CHEMBL3104783) Show SMILES CN(Cc1ccc(Cl)cc1)C(=O)[C@@H](CCN1CCC2(CC1)OC(=O)N(C)c1ccc(F)cc21)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C31H31Cl3FN3O3/c1-36(19-20-3-6-22(32)7-4-20)29(39)24(21-5-9-26(33)27(34)17-21)11-14-38-15-12-31(13-16-38)25-18-23(35)8-10-28(25)37(2)30(40)41-31/h3-10,17-18,24H,11-16,19H2,1-2H3/t24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.398	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montr£al Curated by ChEMBL					Assay Description Displacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cells				ACS Med Chem Lett 5: 550-5 (2014) Article DOI: 10.1021/ml400528y BindingDB Entry DOI: 10.7270/Q2G162CB
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Homo sapiens (Human))	BDBM50445819 (CHEMBL3104785) Show SMILES CCCN(C1CCN(CCC(C)(C(=O)N[C@@H](CO)c2ccc(F)cc2)c2ccc(Cl)c(Cl)c2)CC1)C(C)=O |r| Show InChI InChI=1S/C29H38Cl2FN3O3/c1-4-14-35(20(2)37)24-11-15-34(16-12-24)17-13-29(3,22-7-10-25(30)26(31)18-22)28(38)33-27(19-36)21-5-8-23(32)9-6-21/h5-10,18,24,27,36H,4,11-17,19H2,1-3H3,(H,33,38)/t27-,29?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.501	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montr£al Curated by ChEMBL					Assay Description Displacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cells				ACS Med Chem Lett 5: 550-5 (2014) Article DOI: 10.1021/ml400528y BindingDB Entry DOI: 10.7270/Q2G162CB
					More data for this Ligand-Target Pair
Proprotein convertase subtilisin/kexin type 9 (Homo sapiens (Human))	BDBM50554754 (CHEMBL4790764) Show SMILES [H][C@]1(NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2Cc3cn(Cc4cn(nn4)-c4cc(CSCCNC(=O)[C@]5(C)CCCN5C(=O)[C@H](Cc5ccc(OC)cc5)NC1=O)cc(CSCCC(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)N[C@@H](Cc1c[nH]c5ccc(F)cc15)C(=O)N2)c4)c1ccc(F)cc31)[C@@H](C)O |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of AlexaFluor647-tagged cyclic peptide binding to avi-tagged-biotinylated human PCSK9 measured after 2 hrs by Lance Streptavidin Europium ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01084 BindingDB Entry DOI: 10.7270/Q23N272N
					More data for this Ligand-Target Pair
Proprotein convertase subtilisin/kexin type 9 (Homo sapiens (Human))	BDBM50554755 (CHEMBL4782157) Show SMILES COc1ccc(C[C@@H]2NC(=O)[C@@H](NC(=O)[C@@H]3CCC(=O)NCc4cccc(C[C@H](NC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)CCSCc5cccc(CSCCNC(=O)[C@]6(C)CCCN6C2=O)c5)C(=O)N[C@@H](Cc2c[nH]c5ccc(F)cc25)C(=O)N3)c4)[C@@H](C)O)cc1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of AlexaFluor647-tagged cyclic peptide binding to avi-tagged-biotinylated human PCSK9 measured after 2 hrs by Lance Streptavidin Europium ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01084 BindingDB Entry DOI: 10.7270/Q23N272N
					More data for this Ligand-Target Pair
Proprotein convertase subtilisin/kexin type 9 (Homo sapiens (Human))	BDBM50554734 (CHEMBL4761415 | US11530244, Compound 289) Show SMILES C[C@H]1NC(=O)[C@H](CCCCN)NC(=O)CCSCc2cc(F)cc(CSCCNC(=O)[C@]3(C)CCCN3C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc3c[nH]c4ccc(F)cc34)NC(=O)[C@H](Cc3c[nH]c4ccc(F)cc34)NC1=O)c2 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of AlexaFluor647-tagged cyclic peptide binding to avi-tagged-biotinylated human PCSK9 measured after 2 hrs by Lance Streptavidin Europium ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01084 BindingDB Entry DOI: 10.7270/Q23N272N
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Homo sapiens (Human))	BDBM50051293 ((S)-(-)-N-(R-ethylbenzyl)-3-hydroxy-2-phenylquinol...) Show SMILES CC[C@H](NC(=O)c1c(O)c(nc2ccccc12)-c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C25H22N2O2/c1-2-20(17-11-5-3-6-12-17)27-25(29)22-19-15-9-10-16-21(19)26-23(24(22)28)18-13-7-4-8-14-18/h3-16,20,28H,2H2,1H3,(H,27,29)/t20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montr£al Curated by ChEMBL					Assay Description Displacement of [125I][MePhe7]neurokinin B from human NK3 receptor expressed in CHO cells				Bioorg Med Chem Lett 24: 510-4 (2014) Article DOI: 10.1016/j.bmcl.2013.12.033 BindingDB Entry DOI: 10.7270/Q2KS6T1G
					More data for this Ligand-Target Pair
Proprotein convertase subtilisin/kexin type 9 (Homo sapiens (Human))	BDBM50554743 (CHEMBL4759174) Show SMILES [H][C@@]12C[C@H](F)CN1C(=O)[C@H](Cc1c[nH]c3ccc(F)cc13)NC(=O)[C@H](Cc1c[nH]c3ccc(F)cc13)NC(=O)[C@@H](C)NC(=O)[C@H](CCCCN)NC(=O)CCSCc1cccc(CSC[C@H](NC(=O)[C@]3(C)CCCN3C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@@H](NC2=O)[C@@H](C)O)C(N)=O)c1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of AlexaFluor647-tagged cyclic peptide binding to avi-tagged-biotinylated human PCSK9 measured after 2 hrs by Lance Streptavidin Europium ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01084 BindingDB Entry DOI: 10.7270/Q23N272N
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Homo sapiens (Human))	BDBM50020118 (CHEMBL3288167) Show SMILES CN1C(=O)OC2(CCN(CC[C@@](C)(C(=O)N[C@H](Cc3ccccc3)C(=O)NCCO)c3ccc(Cl)c(Cl)c3)CC2)c2cc(F)ccc12 |r| Show InChI InChI=1S/C35H39Cl2FN4O5/c1-34(24-8-10-27(36)28(37)21-24,32(45)40-29(31(44)39-15-19-43)20-23-6-4-3-5-7-23)12-16-42-17-13-35(14-18-42)26-22-25(38)9-11-30(26)41(2)33(46)47-35/h3-11,21-22,29,43H,12-20H2,1-2H3,(H,39,44)(H,40,45)/t29-,34-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montr£al Curated by ChEMBL					Assay Description Displacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cells				ACS Med Chem Lett 5: 550-5 (2014) Article DOI: 10.1021/ml400528y BindingDB Entry DOI: 10.7270/Q2G162CB
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50020120 (CHEMBL3288169) Show SMILES OC(=O)C(F)(F)F.CN([C@H](Cc1ccccc1)C(=O)NCCN)C(=O)[C@](C)(CCN1CCC2(CC1)OC(=O)N(C)c1ccc(F)cc21)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C36H42Cl2FN5O4.C2HF3O2/c1-35(25-9-11-28(37)29(38)22-25,33(46)42(2)31(32(45)41-17-16-40)21-24-7-5-4-6-8-24)13-18-44-19-14-36(15-20-44)27-23-26(39)10-12-30(27)43(3)34(47)48-36;3-2(4,5)1(6)7/h4-12,22-23,31H,13-21,40H2,1-3H3,(H,41,45);(H,6,7)/t31-,35-;/m1./s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montr£al Curated by ChEMBL					Assay Description Displacement of [125I]-Bolton Hunter-substance P from human NK1 receptor expressed in human U373MG cells				ACS Med Chem Lett 5: 550-5 (2014) Article DOI: 10.1021/ml400528y BindingDB Entry DOI: 10.7270/Q2G162CB
					More data for this Ligand-Target Pair
Proprotein convertase subtilisin/kexin type 9 (Homo sapiens (Human))	BDBM50554736 (CHEMBL4789838) Show SMILES CCC[C@H]1NC(=O)[C@H](CCCCN)NC(=O)CCSCc2cccc(CSCCNC(=O)[C@]3(C)CCCN3C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc3c[nH]c4ccc(F)cc34)NC(=O)[C@H](Cc3c[nH]c4ccc(F)cc34)NC1=O)c2 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of AlexaFluor647-tagged cyclic peptide binding to avi-tagged-biotinylated human PCSK9 measured after 2 hrs by Lance Streptavidin Europium ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01084 BindingDB Entry DOI: 10.7270/Q23N272N
					More data for this Ligand-Target Pair
Proprotein convertase subtilisin/kexin type 9 (Homo sapiens (Human))	BDBM50554760 (CHEMBL4798026) Show SMILES CO[C@H](C)[C@@H]1NC(=O)[C@@H]2CCC(=O)NCc3cccc(C[C@H](NC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)CCSCc4cccc(CSCCNC(=O)[C@]5(C)CCCN5C(=O)[C@H](Cc5ccc(OC)cc5)NC1=O)c4)C(=O)NC(Cc1ccnc4ccc(F)cc14)C(=O)N2C)c3 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of AlexaFluor647-tagged cyclic peptide binding to avi-tagged-biotinylated human PCSK9 measured after 2 hrs by Lance Streptavidin Europium ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01084 BindingDB Entry DOI: 10.7270/Q23N272N
					More data for this Ligand-Target Pair
Proprotein convertase subtilisin/kexin type 9 (Homo sapiens (Human))	BDBM50554735 (CHEMBL4742833) Show SMILES COc1ccc(C[C@@H]2NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc3c[nH]c4ccc(F)cc34)NC(=O)[C@H](Cc3c[nH]c4ccc(F)cc34)NC(=O)[C@@H](C)NC(=O)[C@H](CCCCN)NC(=O)CCSCc3cccc(CSCCNC(=O)[C@]4(C)CCCN4C2=O)c3)cc1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of AlexaFluor647-tagged cyclic peptide binding to avi-tagged-biotinylated human PCSK9 measured after 2 hrs by Lance Streptavidin Europium ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01084 BindingDB Entry DOI: 10.7270/Q23N272N
					More data for this Ligand-Target Pair
Proprotein convertase subtilisin/kexin type 9 (Homo sapiens (Human))	BDBM50554731 (CHEMBL4789480) Show SMILES C[C@@]12CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1c[nH]c3ccc(F)cc13)NC(=O)[C@H](Cc1c[nH]c3ccc(F)cc13)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)CCSCc1cccc(CSC[C@H](NC2=O)C(N)=O)c1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of AlexaFluor647-tagged cyclic peptide binding to avi-tagged-biotinylated human PCSK9 measured after 2 hrs by Lance Streptavidin Europium ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01084 BindingDB Entry DOI: 10.7270/Q23N272N
					More data for this Ligand-Target Pair
Proprotein convertase subtilisin/kexin type 9 (Homo sapiens (Human))	BDBM50554759 (CHEMBL4745053) Show SMILES COc1ccc(C[C@@H]2NC(=O)[C@@H](NC(=O)[C@@H]3CCCCC(=O)NCc4cccc(C[C@H](NC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)CCSCc5cccc(CSCCNC(=O)[C@]6(C)CCCN6C2=O)c5)C(=O)N[C@@H](Cc2c[nH]c5ccc(F)cc25)C(=O)N3)c4)[C@@H](C)O)cc1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of AlexaFluor647-tagged cyclic peptide binding to avi-tagged-biotinylated human PCSK9 measured after 2 hrs by Lance Streptavidin Europium ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01084 BindingDB Entry DOI: 10.7270/Q23N272N
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50020127 (CHEMBL3288170) Show SMILES OC(=O)C(F)(F)F.CN([C@H](Cc1ccccc1)C(=O)NCCCN)C(=O)[C@](C)(CCN1CCC2(CC1)OC(=O)N(C)c1ccc(F)cc21)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C37H44Cl2FN5O4.C2HF3O2/c1-36(26-10-12-29(38)30(39)23-26,34(47)43(2)32(33(46)42-18-7-17-41)22-25-8-5-4-6-9-25)14-19-45-20-15-37(16-21-45)28-24-27(40)11-13-31(28)44(3)35(48)49-37;3-2(4,5)1(6)7/h4-6,8-13,23-24,32H,7,14-22,41H2,1-3H3,(H,42,46);(H,6,7)/t32-,36-;/m1./s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montr£al Curated by ChEMBL					Assay Description Displacement of [125I]-Bolton Hunter-substance P from human NK1 receptor expressed in human U373MG cells				ACS Med Chem Lett 5: 550-5 (2014) Article DOI: 10.1021/ml400528y BindingDB Entry DOI: 10.7270/Q2G162CB
					More data for this Ligand-Target Pair
Proprotein convertase subtilisin/kexin type 9 (Homo sapiens (Human))	BDBM50554750 (CHEMBL4755930) Show SMILES COc1ccc(C[C@@H]2NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc3c[nH]c4ccc(F)cc34)NC(=O)[C@H](Cc3c[nH]c4ccc(F)cc34)NC(=O)[C@@H](C)NC(=O)[C@H](CCCCN(C)C)NC(=O)CCSCc3cccc(CSCCNC(=O)[C@]4(C)CCCN4C2=O)c3)cc1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of AlexaFluor647-tagged cyclic peptide binding to avi-tagged-biotinylated human PCSK9 measured after 2 hrs by Lance Streptavidin Europium ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01084 BindingDB Entry DOI: 10.7270/Q23N272N
					More data for this Ligand-Target Pair
Proprotein convertase subtilisin/kexin type 9 (Homo sapiens (Human))	BDBM50554733 (CHEMBL4754486) Show SMILES C[C@H]1NC(=O)[C@H](CCCCN)NC(=O)CCSCc2cccc(CSCCNC(=O)[C@]3(C)CCCN3C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc3c[nH]c4ccc(F)cc34)NC(=O)[C@H](Cc3c[nH]c4ccc(F)cc34)NC1=O)c2 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of AlexaFluor647-tagged cyclic peptide binding to avi-tagged-biotinylated human PCSK9 measured after 2 hrs by Lance Streptavidin Europium ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01084 BindingDB Entry DOI: 10.7270/Q23N272N
					More data for this Ligand-Target Pair
Proprotein convertase subtilisin/kexin type 9 (Homo sapiens (Human))	BDBM50554739 (CHEMBL4789893) Show SMILES CC(C)(C)[C@H]1NC(=O)[C@H](CCCCN)NC(=O)CCSCc2cccc(CSCCNC(=O)[C@]3(C)CCCN3C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc3c[nH]c4ccc(F)cc34)NC(=O)[C@H](Cc3c[nH]c4ccc(F)cc34)NC1=O)c2 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of AlexaFluor647-tagged cyclic peptide binding to avi-tagged-biotinylated human PCSK9 measured after 2 hrs by Lance Streptavidin Europium ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01084 BindingDB Entry DOI: 10.7270/Q23N272N
					More data for this Ligand-Target Pair
Proprotein convertase subtilisin/kexin type 9 (Homo sapiens (Human))	BDBM50554732 (CHEMBL4743963) Show SMILES C[C@@]12CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1c[nH]c3ccc(F)cc13)NC(=O)[C@H](Cc1c[nH]c3ccc(F)cc13)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)CCSCc1cccc(CSCCNC2=O)c1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of AlexaFluor647-tagged cyclic peptide binding to avi-tagged-biotinylated human PCSK9 measured after 2 hrs by Lance Streptavidin Europium ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01084 BindingDB Entry DOI: 10.7270/Q23N272N
					More data for this Ligand-Target Pair
Proprotein convertase subtilisin/kexin type 9 (Homo sapiens (Human))	BDBM50554737 (CHEMBL4776000) Show SMILES CC(C)[C@H]1NC(=O)[C@H](CCCCN)NC(=O)CCSCc2cccc(CSCCNC(=O)[C@]3(C)CCCN3C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc3c[nH]c4ccc(F)cc34)NC(=O)[C@H](Cc3c[nH]c4ccc(F)cc34)NC1=O)c2 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of AlexaFluor647-tagged cyclic peptide binding to avi-tagged-biotinylated human PCSK9 measured after 2 hrs by Lance Streptavidin Europium ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01084 BindingDB Entry DOI: 10.7270/Q23N272N
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Homo sapiens (Human))	BDBM50020120 (CHEMBL3288169) Show SMILES OC(=O)C(F)(F)F.CN([C@H](Cc1ccccc1)C(=O)NCCN)C(=O)[C@](C)(CCN1CCC2(CC1)OC(=O)N(C)c1ccc(F)cc21)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C36H42Cl2FN5O4.C2HF3O2/c1-35(25-9-11-28(37)29(38)22-25,33(46)42(2)31(32(45)41-17-16-40)21-24-7-5-4-6-8-24)13-18-44-19-14-36(15-20-44)27-23-26(39)10-12-30(27)43(3)34(47)48-36;3-2(4,5)1(6)7/h4-12,22-23,31H,13-21,40H2,1-3H3,(H,41,45);(H,6,7)/t31-,35-;/m1./s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montr£al Curated by ChEMBL					Assay Description Displacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cells				ACS Med Chem Lett 5: 550-5 (2014) Article DOI: 10.1021/ml400528y BindingDB Entry DOI: 10.7270/Q2G162CB
					More data for this Ligand-Target Pair
Proprotein convertase subtilisin/kexin type 9 (Homo sapiens (Human))	BDBM50554753 (CHEMBL4752664) Show SMILES COc1ccc(C[C@@H]2NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc3c[nH]c4ccc(F)cc34)NC(=O)[C@H](Cc3c[nH]c4ccc(F)cc34)NC(=O)[C@@H](C)NC(=O)[C@H](CNC(=O)COCCOCCN)NC(=O)CCSCc3cccc(CSCCNC(=O)[C@]4(C)CCCN4C2=O)c3)cc1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of AlexaFluor647-tagged cyclic peptide binding to avi-tagged-biotinylated human PCSK9 measured after 2 hrs by Lance Streptavidin Europium ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01084 BindingDB Entry DOI: 10.7270/Q23N272N
					More data for this Ligand-Target Pair
Proprotein convertase subtilisin/kexin type 9 (Homo sapiens (Human))	BDBM50554751 (CHEMBL4794023) Show SMILES COCCOCCOCCOCCC(=O)NCCCC[C@@H]1NC(=O)CCSCc2cccc(CSC[C@H](NC(=O)[C@]3(C)CCCN3C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc3c[nH]c4ccc(F)cc34)NC(=O)[C@H](Cc3c[nH]c4ccc(F)cc34)NC(=O)CNC1=O)C(N)=O)c2 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	9.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of AlexaFluor647-tagged cyclic peptide binding to avi-tagged-biotinylated human PCSK9 measured after 2 hrs by Lance Streptavidin Europium ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01084 BindingDB Entry DOI: 10.7270/Q23N272N
					More data for this Ligand-Target Pair
Proprotein convertase subtilisin/kexin type 9 (Homo sapiens (Human))	BDBM50554749 (CHEMBL4761848 | US11530244, Compound 461) Show SMILES COc1ccc(C[C@@H]2NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc3c[nH]c4ccc(F)cc34)NC(=O)[C@H](Cc3c[nH]c4ccc(F)cc34)NC(=O)[C@@H](C)NC(=O)[C@H](CCCC[N+](C)(C)C)NC(=O)CCSCc3cccc(CSCCNC(=O)[C@]4(C)CCCN4C2=O)c3)cc1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	9.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of AlexaFluor647-tagged cyclic peptide binding to avi-tagged-biotinylated human PCSK9 measured after 2 hrs by Lance Streptavidin Europium ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01084 BindingDB Entry DOI: 10.7270/Q23N272N
					More data for this Ligand-Target Pair
Proprotein convertase subtilisin/kexin type 9 (Homo sapiens (Human))	BDBM50554742 (CHEMBL4760531) Show SMILES [H][C@@]12CCCN1C(=O)[C@H](Cc1c[nH]c3ccc(F)cc13)NC(=O)[C@H](Cc1c[nH]c3ccc(F)cc13)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)CCSCc1cccc(CSC[C@H](NC(=O)[C@]3(C)CCCN3C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@@H](NC2=O)[C@@H](C)OC)C(N)=O)c1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of AlexaFluor647-tagged cyclic peptide binding to avi-tagged-biotinylated human PCSK9 measured after 2 hrs by Lance Streptavidin Europium ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01084 BindingDB Entry DOI: 10.7270/Q23N272N
					More data for this Ligand-Target Pair
Proprotein convertase subtilisin/kexin type 9 (Homo sapiens (Human))	BDBM50554752 (CHEMBL4743663 | US11530244, Compound 485) Show SMILES C[C@@]12CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1c[nH]c3ccc(F)cc13)NC(=O)[C@H](Cc1c[nH]c3ccc(F)cc13)NC(=O)CNC(=O)[C@H](CCCCNC(=O)CCOCCOCCOCCOCCN)NC(=O)CCSCc1cccc(CSC[C@H](NC2=O)C(N)=O)c1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of AlexaFluor647-tagged cyclic peptide binding to avi-tagged-biotinylated human PCSK9 measured after 2 hrs by Lance Streptavidin Europium ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01084 BindingDB Entry DOI: 10.7270/Q23N272N
					More data for this Ligand-Target Pair
Proprotein convertase subtilisin/kexin type 9 (Homo sapiens (Human))	BDBM50554741 (CHEMBL4756076 | US11530244, Compound 042) Show SMILES [H][C@@]12CCCN1C(=O)[C@H](Cc1c[nH]c3ccc(F)cc13)NC(=O)[C@H](Cc1c[nH]c3ccc(F)cc13)NC(=O)[C@@H](C)NC(=O)[C@H](CCCCN)NC(=O)CCSCc1cc(F)cc(CSC[C@H](NC(=O)[C@]3(C)CCCN3C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@@H](NC2=O)[C@@H](C)O)C(N)=O)c1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of AlexaFluor647-tagged cyclic peptide binding to avi-tagged-biotinylated human PCSK9 measured after 2 hrs by Lance Streptavidin Europium ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01084 BindingDB Entry DOI: 10.7270/Q23N272N
					More data for this Ligand-Target Pair
Proprotein convertase subtilisin/kexin type 9 (Homo sapiens (Human))	BDBM50554756 (CHEMBL4750201) Show SMILES CO[C@H](C)[C@@H]1NC(=O)[C@@H]2CCC(=O)NCc3cccc(C[C@H](NC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)CCSCc4cccc(CSCCNC(=O)[C@]5(C)CCCN5C(=O)[C@H](Cc5ccc(OC)cc5)NC1=O)c4)C(=O)N[C@@H](Cc1c[nH]c4ccc(F)cc14)C(=O)N2C)c3 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of AlexaFluor647-tagged cyclic peptide binding to avi-tagged-biotinylated human PCSK9 measured after 2 hrs by Lance Streptavidin Europium ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01084 BindingDB Entry DOI: 10.7270/Q23N272N
					More data for this Ligand-Target Pair
Proprotein convertase subtilisin/kexin type 9 (Homo sapiens (Human))	BDBM50554740 (CHEMBL4795153 | US11530244, Compound 014) Show SMILES [H][C@@]12CCCN1C(=O)[C@H](Cc1c[nH]c3ccc(F)cc13)NC(=O)[C@H](Cc1c[nH]c3ccc(F)cc13)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)CCSCc1cccc(CSC[C@H](NC(=O)[C@]3(C)CCCN3C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@@H](NC2=O)[C@@H](C)O)C(N)=O)c1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of AlexaFluor647-tagged cyclic peptide binding to avi-tagged-biotinylated human PCSK9 measured after 2 hrs by Lance Streptavidin Europium ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01084 BindingDB Entry DOI: 10.7270/Q23N272N
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50445808 (CHEMBL3104784) Show SMILES CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccc(F)cc1C)N1CC(F)(F)C[C@H]1CO |r| Show InChI InChI=1S/C30H28F9N3O2/c1-16-7-20(31)5-6-22(16)23-11-25(42-15-28(32,33)12-21(42)14-43)40-13-24(23)41(4)26(44)27(2,3)17-8-18(29(34,35)36)10-19(9-17)30(37,38)39/h5-11,13,21,43H,12,14-15H2,1-4H3/t21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montr£al Curated by ChEMBL					Assay Description Displacement of [125I]-Bolton Hunter-Substance P from human NK1 receptor				Bioorg Med Chem Lett 24: 510-4 (2014) Article DOI: 10.1016/j.bmcl.2013.12.033 BindingDB Entry DOI: 10.7270/Q2KS6T1G
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50445808 (CHEMBL3104784) Show SMILES CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccc(F)cc1C)N1CC(F)(F)C[C@H]1CO |r| Show InChI InChI=1S/C30H28F9N3O2/c1-16-7-20(31)5-6-22(16)23-11-25(42-15-28(32,33)12-21(42)14-43)40-13-24(23)41(4)26(44)27(2,3)17-8-18(29(34,35)36)10-19(9-17)30(37,38)39/h5-11,13,21,43H,12,14-15H2,1-4H3/t21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montr£al Curated by ChEMBL					Assay Description Binding affinity to NK1 receptor (unknown origin)				Bioorg Med Chem Lett 24: 510-4 (2014) Article DOI: 10.1016/j.bmcl.2013.12.033 BindingDB Entry DOI: 10.7270/Q2KS6T1G
					More data for this Ligand-Target Pair
Proprotein convertase subtilisin/kexin type 9 (Homo sapiens (Human))	BDBM50554744 (CHEMBL4759663 | US11530244, Compound 248) Show SMILES C[C@@]12CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1c[nH]c3ccc(F)cc13)NC(=O)[C@H](Cc1c[nH]c3ccc(F)cc13)NC(=O)CNC(=O)[C@H](CCCN)NC(=O)CCSCc1cccc(CSC[C@H](NC2=O)C(N)=O)c1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of AlexaFluor647-tagged cyclic peptide binding to avi-tagged-biotinylated human PCSK9 measured after 2 hrs by Lance Streptavidin Europium ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01084 BindingDB Entry DOI: 10.7270/Q23N272N
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50445809 (CHEMBL3104786) Show SMILES CN([C@H](C(=O)NCCN1CCOCC1)c1ccccc1)C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C27H31F6N3O3/c1-25(2,19-15-20(26(28,29)30)17-21(16-19)27(31,32)33)24(38)35(3)22(18-7-5-4-6-8-18)23(37)34-9-10-36-11-13-39-14-12-36/h4-8,15-17,22H,9-14H2,1-3H3,(H,34,37)/t22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montr£al Curated by ChEMBL					Assay Description Displacement of [125I]-Bolton Hunter-Substance P from human NK1 receptor				Bioorg Med Chem Lett 24: 510-4 (2014) Article DOI: 10.1016/j.bmcl.2013.12.033 BindingDB Entry DOI: 10.7270/Q2KS6T1G
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50020112 (CHEMBL3288165) Show SMILES OC(=O)C(F)(F)F.CNCCNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@](C)(CCN1CCC2(CC1)OC(=O)N(C)c1ccc(F)cc21)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C36H42Cl2FN5O4.C2HF3O2/c1-35(25-9-11-28(37)29(38)22-25,33(46)42-30(32(45)41-17-16-40-2)21-24-7-5-4-6-8-24)13-18-44-19-14-36(15-20-44)27-23-26(39)10-12-31(27)43(3)34(47)48-36;3-2(4,5)1(6)7/h4-12,22-23,30,40H,13-21H2,1-3H3,(H,41,45)(H,42,46);(H,6,7)/t30-,35-;/m1./s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montr£al Curated by ChEMBL					Assay Description Displacement of [125I]-Bolton Hunter-substance P from human NK1 receptor expressed in human U373MG cells				ACS Med Chem Lett 5: 550-5 (2014) Article DOI: 10.1021/ml400528y BindingDB Entry DOI: 10.7270/Q2G162CB
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50020119 (CHEMBL3288168) Show SMILES CN1C(=O)OC2(CCN(CCC[C@@](C)(C(=O)N[C@H](Cc3ccccc3)C(=O)NCCO)c3ccc(Cl)c(Cl)c3)CC2)c2cc(F)ccc12 |r| Show InChI InChI=1S/C36H41Cl2FN4O5/c1-35(25-9-11-28(37)29(38)22-25,33(46)41-30(32(45)40-16-20-44)21-24-7-4-3-5-8-24)13-6-17-43-18-14-36(15-19-43)27-23-26(39)10-12-31(27)42(2)34(47)48-36/h3-5,7-12,22-23,30,44H,6,13-21H2,1-2H3,(H,40,45)(H,41,46)/t30-,35-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montr£al Curated by ChEMBL					Assay Description Displacement of [125I]-Bolton Hunter-substance P from human NK1 receptor expressed in human U373MG cells				ACS Med Chem Lett 5: 550-5 (2014) Article DOI: 10.1021/ml400528y BindingDB Entry DOI: 10.7270/Q2G162CB
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50020094 (CHEMBL3288161) Show SMILES Cl.CN1C(=O)OC2(CCN(CC[C@@](C)(C(=O)N[C@H](Cc3ccccc3)C(=O)NCCN)c3ccc(Cl)c(Cl)c3)CC2)c2cc(F)ccc12 |r| Show InChI InChI=1S/C35H40Cl2FN5O4.ClH/c1-34(24-8-10-27(36)28(37)21-24,32(45)41-29(31(44)40-16-15-39)20-23-6-4-3-5-7-23)12-17-43-18-13-35(14-19-43)26-22-25(38)9-11-30(26)42(2)33(46)47-35;/h3-11,21-22,29H,12-20,39H2,1-2H3,(H,40,44)(H,41,45);1H/t29-,34-;/m1./s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montr£al Curated by ChEMBL					Assay Description Displacement of [125I]-Bolton Hunter-substance P from human NK1 receptor expressed in human U373MG cells				ACS Med Chem Lett 5: 550-5 (2014) Article DOI: 10.1021/ml400528y BindingDB Entry DOI: 10.7270/Q2G162CB
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50020117 (CHEMBL3288166) Show SMILES CN(C)CCNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@](C)(CCCN1CCC2(CC1)OC(=O)N(C)c1ccc(F)cc21)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C38H46Cl2FN5O4/c1-37(27-11-13-30(39)31(40)24-27,35(48)43-32(23-26-9-6-5-7-10-26)34(47)42-18-22-44(2)3)15-8-19-46-20-16-38(17-21-46)29-25-28(41)12-14-33(29)45(4)36(49)50-38/h5-7,9-14,24-25,32H,8,15-23H2,1-4H3,(H,42,47)(H,43,48)/t32-,37-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montr£al Curated by ChEMBL					Assay Description Displacement of [125I]-Bolton Hunter-substance P from human NK1 receptor expressed in human U373MG cells				ACS Med Chem Lett 5: 550-5 (2014) Article DOI: 10.1021/ml400528y BindingDB Entry DOI: 10.7270/Q2G162CB
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Homo sapiens (Human))	BDBM50020112 (CHEMBL3288165) Show SMILES OC(=O)C(F)(F)F.CNCCNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@](C)(CCN1CCC2(CC1)OC(=O)N(C)c1ccc(F)cc21)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C36H42Cl2FN5O4.C2HF3O2/c1-35(25-9-11-28(37)29(38)22-25,33(46)42-30(32(45)41-17-16-40-2)21-24-7-5-4-6-8-24)13-18-44-19-14-36(15-20-44)27-23-26(39)10-12-31(27)43(3)34(47)48-36;3-2(4,5)1(6)7/h4-12,22-23,30,40H,13-21H2,1-3H3,(H,41,45)(H,42,46);(H,6,7)/t30-,35-;/m1./s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montr£al Curated by ChEMBL					Assay Description Displacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cells				ACS Med Chem Lett 5: 550-5 (2014) Article DOI: 10.1021/ml400528y BindingDB Entry DOI: 10.7270/Q2G162CB
					More data for this Ligand-Target Pair
Proprotein convertase subtilisin/kexin type 9 (Homo sapiens (Human))	BDBM50554738 (CHEMBL4783376) Show SMILES C[C@@]12CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1c[nH]c3ccc(F)cc13)NC(=O)[C@H](Cc1c[nH]c3ccc(F)cc13)NC(=O)[C@H](NC(=O)[C@H](CCCCN)NC(=O)CCSCc1cccc(CSCCNC2=O)c1)C1CCCC1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of AlexaFluor647-tagged cyclic peptide binding to avi-tagged-biotinylated human PCSK9 measured after 2 hrs by Lance Streptavidin Europium ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01084 BindingDB Entry DOI: 10.7270/Q23N272N
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Homo sapiens (Human))	BDBM50020127 (CHEMBL3288170) Show SMILES OC(=O)C(F)(F)F.CN([C@H](Cc1ccccc1)C(=O)NCCCN)C(=O)[C@](C)(CCN1CCC2(CC1)OC(=O)N(C)c1ccc(F)cc21)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C37H44Cl2FN5O4.C2HF3O2/c1-36(26-10-12-29(38)30(39)23-26,34(47)43(2)32(33(46)42-18-7-17-41)22-25-8-5-4-6-9-25)14-19-45-20-15-37(16-21-45)28-24-27(40)11-13-31(28)44(3)35(48)49-37;3-2(4,5)1(6)7/h4-6,8-13,23-24,32H,7,14-22,41H2,1-3H3,(H,42,46);(H,6,7)/t32-,36-;/m1./s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montr£al Curated by ChEMBL					Assay Description Displacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cells				ACS Med Chem Lett 5: 550-5 (2014) Article DOI: 10.1021/ml400528y BindingDB Entry DOI: 10.7270/Q2G162CB
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Homo sapiens (Human))	BDBM50020114 (CHEMBL3286415) Show SMILES CN(C)CCNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@](C)(CCN1CCC2(CC1)OC(=O)N(C)c1ccc(F)cc21)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C37H44Cl2FN5O4/c1-36(26-10-12-29(38)30(39)23-26,34(47)42-31(22-25-8-6-5-7-9-25)33(46)41-17-21-43(2)3)14-18-45-19-15-37(16-20-45)28-24-27(40)11-13-32(28)44(4)35(48)49-37/h5-13,23-24,31H,14-22H2,1-4H3,(H,41,46)(H,42,47)/t31-,36-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montr£al Curated by ChEMBL					Assay Description Displacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cells				ACS Med Chem Lett 5: 550-5 (2014) Article DOI: 10.1021/ml400528y BindingDB Entry DOI: 10.7270/Q2G162CB
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50020118 (CHEMBL3288167) Show SMILES CN1C(=O)OC2(CCN(CC[C@@](C)(C(=O)N[C@H](Cc3ccccc3)C(=O)NCCO)c3ccc(Cl)c(Cl)c3)CC2)c2cc(F)ccc12 |r| Show InChI InChI=1S/C35H39Cl2FN4O5/c1-34(24-8-10-27(36)28(37)21-24,32(45)40-29(31(44)39-15-19-43)20-23-6-4-3-5-7-23)12-16-42-17-13-35(14-18-42)26-22-25(38)9-11-30(26)41(2)33(46)47-35/h3-11,21-22,29,43H,12-20H2,1-2H3,(H,39,44)(H,40,45)/t29-,34-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montr£al Curated by ChEMBL					Assay Description Displacement of [125I]-Bolton Hunter-substance P from human NK1 receptor expressed in human U373MG cells				ACS Med Chem Lett 5: 550-5 (2014) Article DOI: 10.1021/ml400528y BindingDB Entry DOI: 10.7270/Q2G162CB
					More data for this Ligand-Target Pair
Proprotein convertase subtilisin/kexin type 9 (Homo sapiens (Human))	BDBM50554745 (CHEMBL4744423) Show SMILES CCC[C@@H]1NC(=O)CCSCc2cccc(CSC[C@H](NC(=O)[C@]3(C)CCCN3C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc3c[nH]c4ccc(F)cc34)NC(=O)[C@H](Cc3c[nH]c4ccc(F)cc34)NC(=O)CNC1=O)C(N)=O)c2 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of AlexaFluor647-tagged cyclic peptide binding to avi-tagged-biotinylated human PCSK9 measured after 2 hrs by Lance Streptavidin Europium ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01084 BindingDB Entry DOI: 10.7270/Q23N272N
					More data for this Ligand-Target Pair
Proprotein convertase subtilisin/kexin type 9 (Homo sapiens (Human))	BDBM50554746 (CHEMBL4797587) Show SMILES COc1ccc(C[C@@H]2NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc3c[nH]c4ccc(F)cc34)NC(=O)[C@H](Cc3c[nH]c4ccc(F)cc34)NC(=O)[C@@H](C)NC(=O)[C@H](CCCCO)NC(=O)CCSCc3cccc(CSCCNC(=O)[C@]4(C)CCCN4C2=O)c3)cc1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	39	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of AlexaFluor647-tagged cyclic peptide binding to avi-tagged-biotinylated human PCSK9 measured after 2 hrs by Lance Streptavidin Europium ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01084 BindingDB Entry DOI: 10.7270/Q23N272N
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50020114 (CHEMBL3286415) Show SMILES CN(C)CCNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@](C)(CCN1CCC2(CC1)OC(=O)N(C)c1ccc(F)cc21)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C37H44Cl2FN5O4/c1-36(26-10-12-29(38)30(39)23-26,34(47)42-31(22-25-8-6-5-7-9-25)33(46)41-17-21-43(2)3)14-18-45-19-15-37(16-20-45)28-24-27(40)11-13-32(28)44(4)35(48)49-37/h5-13,23-24,31H,14-22H2,1-4H3,(H,41,46)(H,42,47)/t31-,36-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montr£al Curated by ChEMBL					Assay Description Displacement of [125I]-Bolton Hunter-substance P from human NK1 receptor expressed in human U373MG cells				ACS Med Chem Lett 5: 550-5 (2014) Article DOI: 10.1021/ml400528y BindingDB Entry DOI: 10.7270/Q2G162CB
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Homo sapiens (Human))	BDBM50020096 (CHEMBL3288163) Show SMILES Cl.CN1C(=O)OC2(CCN(CC[C@@](C)(C(=O)N[C@H](C(=O)NCCN)c3ccccc3)c3ccc(Cl)c(Cl)c3)CC2)c2cc(F)ccc12 |r| Show InChI InChI=1S/C34H38Cl2FN5O4.ClH/c1-33(23-8-10-26(35)27(36)20-23,31(44)40-29(30(43)39-16-15-38)22-6-4-3-5-7-22)12-17-42-18-13-34(14-19-42)25-21-24(37)9-11-28(25)41(2)32(45)46-34;/h3-11,20-21,29H,12-19,38H2,1-2H3,(H,39,43)(H,40,44);1H/t29-,33+;/m0./s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montr£al Curated by ChEMBL					Assay Description Displacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cells				ACS Med Chem Lett 5: 550-5 (2014) Article DOI: 10.1021/ml400528y BindingDB Entry DOI: 10.7270/Q2G162CB
					More data for this Ligand-Target Pair
Proprotein convertase subtilisin/kexin type 9 (Homo sapiens (Human))	BDBM50554758 (CHEMBL4740923) Show SMILES COc1ccc(C[C@@H]2NC(=O)[C@@H](NC(=O)[C@@H]3CCCC(=O)NCc4cccc(C[C@H](NC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)CCSCc5cccc(CSCCNC(=O)[C@]6(C)CCCN6C2=O)c5)C(=O)N[C@@H](Cc2c[nH]c5ccc(F)cc25)C(=O)N3)c4)[C@@H](C)O)cc1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	44	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of AlexaFluor647-tagged cyclic peptide binding to avi-tagged-biotinylated human PCSK9 measured after 2 hrs by Lance Streptavidin Europium ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01084 BindingDB Entry DOI: 10.7270/Q23N272N
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50020088 (CHEMBL3288155) Show SMILES Cl.CN([C@@H](Cc1ccccc1)C(=O)NCCN)C(=O)[C@H](CCCN1CCC2(CC1)OC(=O)N(C)c1ccc(F)cc21)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C36H42Cl2FN5O4.ClH/c1-42(32(33(45)41-17-16-40)21-24-7-4-3-5-8-24)34(46)27(25-10-12-29(37)30(38)22-25)9-6-18-44-19-14-36(15-20-44)28-23-26(39)11-13-31(28)43(2)35(47)48-36;/h3-5,7-8,10-13,22-23,27,32H,6,9,14-21,40H2,1-2H3,(H,41,45);1H/t27-,32+;/m1./s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montr£al Curated by ChEMBL					Assay Description Displacement of [125I]-Bolton Hunter-substance P from human NK1 receptor expressed in human U373MG cells				ACS Med Chem Lett 5: 550-5 (2014) Article DOI: 10.1021/ml400528y BindingDB Entry DOI: 10.7270/Q2G162CB
					More data for this Ligand-Target Pair

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