Compile Data Set for Download or QSAR

Found 4662 hits with Last Name = 'rey' and Initial = 'm'   

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
Proprotein convertase subtilisin/kexin type 9 (Homo sapiens (Human))	BDBM50581548 (CHEMBL5085124) Show SMILES [H][C@@]12CS[C@@H](CCCCC(=O)NCCOCCOCCC(=O)NC[C@@H]3NC(=O)[C@H](C)NC(=O)CCSCc4cc5CSCCNC(=O)[C@]6(C)CCCN6C(=O)[C@H](Cc6ccc(OC)cc6)NC(=O)[C@@H](NC(=O)[C@@H]6[C@@H]7CCN6C(=O)[C@H](Cc6cn(Cc8cn(nn8)-c(c5)c4)c4ccc(F)cc64)NC(=O)[C@H](Cc4cccc(C\C=C\CO7)c4)NC3=O)[C@H](C)O)[C@]1([H])NC(=O)N2 |r,t:119| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.000600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human PCSK9 using Alexa Fluor 674 as substrate incubated for 2 hrs by FRET ultra assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01599 BindingDB Entry DOI: 10.7270/Q2TM7G0Q
					More data for this Ligand-Target Pair
Proprotein convertase subtilisin/kexin type 9 (Homo sapiens (Human))	BDBM50581547 (CHEMBL5081349) Show SMILES COc1ccc(C[C@@H]2NC(=O)[C@@H](NC(=O)[C@@H]3[C@@H]4CCN3C(=O)[C@@H]3Cc5cn(Cc6cn(nn6)-c6cc(CSCCNC(=O)[C@]7(C)CCCN7C2=O)cc(CSCCC(=O)N[C@@H](C)C(=O)N[C@H](CNC(=O)CCOCCOCC[N+](C)(C)C)C(=O)N[C@@H](Cc2cccc(C\C=C\CO4)c2)C(=O)N3)c6)c2ccc(F)cc52)[C@@H](C)O)cc1 |r,t:97| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.000930	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human PCSK9 using Alexa Fluor 674 as substrate incubated for 2 hrs by FRET ultra assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01599 BindingDB Entry DOI: 10.7270/Q2TM7G0Q
					More data for this Ligand-Target Pair
Proprotein convertase subtilisin/kexin type 9 (Homo sapiens (Human))	BDBM50581546 (CHEMBL5084416) Show SMILES COc1ccc(C[C@@H]2NC(=O)[C@@H](NC(=O)[C@@H]3[C@@H]4CCN3C(=O)[C@@H]3Cc5cn(Cc6cn(nn6)-c6cc(CSCCNC(=O)[C@]7(C)CCCN7C2=O)cc(CSCCC(=O)N[C@@H](CNC(=O)CCOCCOCC[N+](C)(C)C)C(=O)N[C@H](C)C(=O)N[C@@H](Cc2cccc(C\C=C\CO4)c2)C(=O)N3)c6)c2ccc(F)cc52)[C@@H](C)O)cc1 |r,t:97| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	0.00239	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human PCSK9 using Alexa Fluor 674 as substrate incubated for 2 hrs by FRET ultra assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01599 BindingDB Entry DOI: 10.7270/Q2TM7G0Q
					More data for this Ligand-Target Pair
Proprotein convertase subtilisin/kexin type 9 (Homo sapiens (Human))	BDBM50581547 (CHEMBL5081349) Show SMILES COc1ccc(C[C@@H]2NC(=O)[C@@H](NC(=O)[C@@H]3[C@@H]4CCN3C(=O)[C@@H]3Cc5cn(Cc6cn(nn6)-c6cc(CSCCNC(=O)[C@]7(C)CCCN7C2=O)cc(CSCCC(=O)N[C@@H](C)C(=O)N[C@H](CNC(=O)CCOCCOCC[N+](C)(C)C)C(=O)N[C@@H](Cc2cccc(C\C=C\CO4)c2)C(=O)N3)c6)c2ccc(F)cc52)[C@@H](C)O)cc1 |r,t:97| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.00736	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human PCSK9 using Alexa Fluor 674 as substrate incubated for 2 hrs by FRET plus assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01599 BindingDB Entry DOI: 10.7270/Q2TM7G0Q
					More data for this Ligand-Target Pair
Proprotein convertase subtilisin/kexin type 9 (Homo sapiens (Human))	BDBM50581545 (CHEMBL5084902) Show SMILES COc1ccc(C[C@@H]2NC(=O)[C@@H](NC(=O)[C@@H]3[C@@H]4CCN3C(=O)[C@@H]3Cc5cn(Cc6cn(nn6)-c6cc(CSCCNC(=O)[C@]7(C)CCCN7C2=O)cc(CSCCC(=O)N[C@@H](CNC(=O)CCOCCOCCN)C(=O)N[C@H](C)C(=O)N[C@@H](Cc2cccc(C\C=C\CO4)c2)C(=O)N3)c6)c2ccc(F)cc52)[C@@H](C)O)cc1 |r,t:94| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.00813	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human PCSK9 using Alexa Fluor 674 as substrate incubated for 2 hrs by FRET ultra assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01599 BindingDB Entry DOI: 10.7270/Q2TM7G0Q
					More data for this Ligand-Target Pair
Proprotein convertase subtilisin/kexin type 9 (Homo sapiens (Human))	BDBM50581544 (CHEMBL5086475) Show SMILES COc1ccc(C[C@@H]2NC(=O)[C@@H](NC(=O)[C@@H]3[C@@H]4CCN3C(=O)[C@@H]3Cc5cn(Cc6cn(nn6)-c6cc(CSCCNC(=O)[C@]7(C)CCCN7C2=O)cc(CSCCC(=O)N[C@@H](CN)C(=O)N[C@H](C)C(=O)N[C@@H](Cc2cccc(C\C=C\CO4)c2)C(=O)N3)c6)c2ccc(F)cc52)[C@@H](C)O)cc1 |r,t:83| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.00826	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human PCSK9 using Alexa Fluor 674 as substrate incubated for 2 hrs by FRET plus assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01599 BindingDB Entry DOI: 10.7270/Q2TM7G0Q
					More data for this Ligand-Target Pair
Proprotein convertase subtilisin/kexin type 9 (Homo sapiens (Human))	BDBM50581544 (CHEMBL5086475) Show SMILES COc1ccc(C[C@@H]2NC(=O)[C@@H](NC(=O)[C@@H]3[C@@H]4CCN3C(=O)[C@@H]3Cc5cn(Cc6cn(nn6)-c6cc(CSCCNC(=O)[C@]7(C)CCCN7C2=O)cc(CSCCC(=O)N[C@@H](CN)C(=O)N[C@H](C)C(=O)N[C@@H](Cc2cccc(C\C=C\CO4)c2)C(=O)N3)c6)c2ccc(F)cc52)[C@@H](C)O)cc1 |r,t:83| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.00940	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human PCSK9 using Alexa Fluor 674 as substrate incubated for 2 hrs by FRET ultra assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01599 BindingDB Entry DOI: 10.7270/Q2TM7G0Q
					More data for this Ligand-Target Pair
Proprotein convertase subtilisin/kexin type 9 (Homo sapiens (Human))	BDBM50581548 (CHEMBL5085124) Show SMILES [H][C@@]12CS[C@@H](CCCCC(=O)NCCOCCOCCC(=O)NC[C@@H]3NC(=O)[C@H](C)NC(=O)CCSCc4cc5CSCCNC(=O)[C@]6(C)CCCN6C(=O)[C@H](Cc6ccc(OC)cc6)NC(=O)[C@@H](NC(=O)[C@@H]6[C@@H]7CCN6C(=O)[C@H](Cc6cn(Cc8cn(nn8)-c(c5)c4)c4ccc(F)cc64)NC(=O)[C@H](Cc4cccc(C\C=C\CO7)c4)NC3=O)[C@H](C)O)[C@]1([H])NC(=O)N2 |r,t:119| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	<0.0100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human PCSK9 using Alexa Fluor 674 as substrate incubated for 2 hrs by FRET plus assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01599 BindingDB Entry DOI: 10.7270/Q2TM7G0Q
					More data for this Ligand-Target Pair
Proprotein convertase subtilisin/kexin type 9 (Homo sapiens (Human))	BDBM50581546 (CHEMBL5084416) Show SMILES COc1ccc(C[C@@H]2NC(=O)[C@@H](NC(=O)[C@@H]3[C@@H]4CCN3C(=O)[C@@H]3Cc5cn(Cc6cn(nn6)-c6cc(CSCCNC(=O)[C@]7(C)CCCN7C2=O)cc(CSCCC(=O)N[C@@H](CNC(=O)CCOCCOCC[N+](C)(C)C)C(=O)N[C@H](C)C(=O)N[C@@H](Cc2cccc(C\C=C\CO4)c2)C(=O)N3)c6)c2ccc(F)cc52)[C@@H](C)O)cc1 |r,t:97| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	0.0114	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human PCSK9 using Alexa Fluor 674 as substrate incubated for 2 hrs by FRET plus assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01599 BindingDB Entry DOI: 10.7270/Q2TM7G0Q
					More data for this Ligand-Target Pair
Proprotein convertase subtilisin/kexin type 9 (Homo sapiens (Human))	BDBM50581549 (CHEMBL5082483) Show SMILES COc1ccc(C[C@@H]2NC(=O)[C@@H](NC(=O)[C@@H]3[C@@H]4CCN3C(=O)[C@@H]3Cc5cn(Cc6cn(nn6)-c6cc(CSCCNC(=O)[C@]7(C)CCCN7C2=O)cc(CSCCC(=O)N[C@@H](CN)C(=O)N[C@H](C)C(=O)N[C@@H](Cc2cccc(C\C=C/CO4)c2)C(=O)N3)c6)c2ccc(F)cc52)[C@@H](C)O)cc1 |r,c:83| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0370	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human PCSK9 using Alexa Fluor 674 as substrate incubated for 2 hrs by FRET plus assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01599 BindingDB Entry DOI: 10.7270/Q2TM7G0Q
					More data for this Ligand-Target Pair
Proprotein convertase subtilisin/kexin type 9 (Homo sapiens (Human))	BDBM50581548 (CHEMBL5085124) Show SMILES [H][C@@]12CS[C@@H](CCCCC(=O)NCCOCCOCCC(=O)NC[C@@H]3NC(=O)[C@H](C)NC(=O)CCSCc4cc5CSCCNC(=O)[C@]6(C)CCCN6C(=O)[C@H](Cc6ccc(OC)cc6)NC(=O)[C@@H](NC(=O)[C@@H]6[C@@H]7CCN6C(=O)[C@H](Cc6cn(Cc8cn(nn8)-c(c5)c4)c4ccc(F)cc64)NC(=O)[C@H](Cc4cccc(C\C=C\CO7)c4)NC3=O)[C@H](C)O)[C@]1([H])NC(=O)N2 |r,t:119| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>0.129	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human PCSK9 using Alexa Fluor 674 as substrate incubated for 2 hrs by FRET assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01599 BindingDB Entry DOI: 10.7270/Q2TM7G0Q
					More data for this Ligand-Target Pair
Proprotein convertase subtilisin/kexin type 9 (Homo sapiens (Human))	BDBM50581547 (CHEMBL5081349) Show SMILES COc1ccc(C[C@@H]2NC(=O)[C@@H](NC(=O)[C@@H]3[C@@H]4CCN3C(=O)[C@@H]3Cc5cn(Cc6cn(nn6)-c6cc(CSCCNC(=O)[C@]7(C)CCCN7C2=O)cc(CSCCC(=O)N[C@@H](C)C(=O)N[C@H](CNC(=O)CCOCCOCC[N+](C)(C)C)C(=O)N[C@@H](Cc2cccc(C\C=C\CO4)c2)C(=O)N3)c6)c2ccc(F)cc52)[C@@H](C)O)cc1 |r,t:97| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>0.129	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human PCSK9 using Alexa Fluor 674 as substrate incubated for 2 hrs by FRET assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01599 BindingDB Entry DOI: 10.7270/Q2TM7G0Q
					More data for this Ligand-Target Pair
Proprotein convertase subtilisin/kexin type 9 (Homo sapiens (Human))	BDBM50581545 (CHEMBL5084902) Show SMILES COc1ccc(C[C@@H]2NC(=O)[C@@H](NC(=O)[C@@H]3[C@@H]4CCN3C(=O)[C@@H]3Cc5cn(Cc6cn(nn6)-c6cc(CSCCNC(=O)[C@]7(C)CCCN7C2=O)cc(CSCCC(=O)N[C@@H](CNC(=O)CCOCCOCCN)C(=O)N[C@H](C)C(=O)N[C@@H](Cc2cccc(C\C=C\CO4)c2)C(=O)N3)c6)c2ccc(F)cc52)[C@@H](C)O)cc1 |r,t:94| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>0.129	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human PCSK9 using Alexa Fluor 674 as substrate incubated for 2 hrs by FRET assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01599 BindingDB Entry DOI: 10.7270/Q2TM7G0Q
					More data for this Ligand-Target Pair
Proprotein convertase subtilisin/kexin type 9 (Homo sapiens (Human))	BDBM50581544 (CHEMBL5086475) Show SMILES COc1ccc(C[C@@H]2NC(=O)[C@@H](NC(=O)[C@@H]3[C@@H]4CCN3C(=O)[C@@H]3Cc5cn(Cc6cn(nn6)-c6cc(CSCCNC(=O)[C@]7(C)CCCN7C2=O)cc(CSCCC(=O)N[C@@H](CN)C(=O)N[C@H](C)C(=O)N[C@@H](Cc2cccc(C\C=C\CO4)c2)C(=O)N3)c6)c2ccc(F)cc52)[C@@H](C)O)cc1 |r,t:83| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>0.129	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human PCSK9 using Alexa Fluor 674 as substrate incubated for 2 hrs by FRET assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01599 BindingDB Entry DOI: 10.7270/Q2TM7G0Q
					More data for this Ligand-Target Pair
Proprotein convertase subtilisin/kexin type 9 (Homo sapiens (Human))	BDBM50581546 (CHEMBL5084416) Show SMILES COc1ccc(C[C@@H]2NC(=O)[C@@H](NC(=O)[C@@H]3[C@@H]4CCN3C(=O)[C@@H]3Cc5cn(Cc6cn(nn6)-c6cc(CSCCNC(=O)[C@]7(C)CCCN7C2=O)cc(CSCCC(=O)N[C@@H](CNC(=O)CCOCCOCC[N+](C)(C)C)C(=O)N[C@H](C)C(=O)N[C@@H](Cc2cccc(C\C=C\CO4)c2)C(=O)N3)c6)c2ccc(F)cc52)[C@@H](C)O)cc1 |r,t:97| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	>0.129	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human PCSK9 using Alexa Fluor 674 as substrate incubated for 2 hrs by FRET assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01599 BindingDB Entry DOI: 10.7270/Q2TM7G0Q
					More data for this Ligand-Target Pair
Proprotein convertase subtilisin/kexin type 9 (Homo sapiens (Human))	BDBM50581542 (CHEMBL5081587) Show SMILES CO[C@H](C)[C@@H]1NC(=O)[C@@H]2[C@@H]3CCN2C(=O)[C@H](Cc2c[nH]c4ccc(F)cc24)NC(=O)[C@H](Cc2cccc(C\C=C\CO3)c2)NC(=O)[C@@H](CN)NC(=O)[C@H](C)NC(=O)CCSCc2cccc(CSCCNC(=O)[C@]3(C)CCCN3C(=O)[C@H](Cc3ccc(OC)cc3)NC1=O)c2 |r,t:41| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human PCSK9 using Alexa Fluor 674 as substrate incubated for 2 hrs by FRET plus assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01599 BindingDB Entry DOI: 10.7270/Q2TM7G0Q
					More data for this Ligand-Target Pair
Proprotein convertase subtilisin/kexin type 9 (Homo sapiens (Human))	BDBM50581542 (CHEMBL5081587) Show SMILES CO[C@H](C)[C@@H]1NC(=O)[C@@H]2[C@@H]3CCN2C(=O)[C@H](Cc2c[nH]c4ccc(F)cc24)NC(=O)[C@H](Cc2cccc(C\C=C\CO3)c2)NC(=O)[C@@H](CN)NC(=O)[C@H](C)NC(=O)CCSCc2cccc(CSCCNC(=O)[C@]3(C)CCCN3C(=O)[C@H](Cc3ccc(OC)cc3)NC1=O)c2 |r,t:41| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human PCSK9 using Alexa Fluor 674 as substrate incubated for 2 hrs by FRET assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01599 BindingDB Entry DOI: 10.7270/Q2TM7G0Q
					More data for this Ligand-Target Pair
C-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50394157 (CHEMBL2158790) Show SMILES Cc1c(Cl)c(Cl)ccc1OC1CCN(CC2CCN(CC2)[C@@](C)(Cc2ccc(F)cc2)C(O)=O)CC1 |r| Show InChI InChI=1S/C28H35Cl2FN2O3/c1-19-25(8-7-24(29)26(19)30)36-23-11-13-32(14-12-23)18-21-9-15-33(16-10-21)28(2,27(34)35)17-20-3-5-22(31)6-4-20/h3-8,21,23H,9-18H2,1-2H3,(H,34,35)/t28-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Binding affinity to human CCR3 expressed in CHOK1 cells by radioligand displacement assay				Bioorg Med Chem Lett 22: 6694-9 (2012) Article DOI: 10.1016/j.bmcl.2012.08.103 BindingDB Entry DOI: 10.7270/Q2Z320SD
					More data for this Ligand-Target Pair
Proprotein convertase subtilisin/kexin type 9 (Homo sapiens (Human))	BDBM50581540 (CHEMBL5087487) Show SMILES CO[C@@H](C)[C@@H]1NC(=O)[C@@H]2[C@@H]3CCN2C(=O)[C@H](Cc2c[nH]c4ccc(F)cc24)NC(=O)[C@H](Cc2cccc(C\C=C\CO3)c2)NC(=O)[C@H](C)NC(=O)[C@H](CN)NC(=O)CCSCc2cccc(CSCCNC(=O)[C@]3(C)CCCN3C(=O)[C@H](Cc3ccc(OC)cc3)NC1=O)c2 |r,t:41| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human PCSK9 using Alexa Fluor 674 as substrate incubated for 2 hrs by FRET plus assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01599 BindingDB Entry DOI: 10.7270/Q2TM7G0Q
					More data for this Ligand-Target Pair
Proprotein convertase subtilisin/kexin type 9 (Homo sapiens (Human))	BDBM50581537 (CHEMBL5086286) Show SMILES COc1ccc(C[C@@H]2NC(=O)[C@@H](NC(=O)[C@@H]3[C@@H]4CCN3C(=O)[C@H](Cc3c[nH]c5ccc(F)cc35)NC(=O)[C@H](Cc3cccc(C\C=C\CO4)c3)NC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)CCSCc3cccc(CSCCNC(=O)[C@]4(C)CCCN4C2=O)c3)[C@@H](C)O)cc1 |r,t:48| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human PCSK9 using Alexa Fluor 674 as substrate incubated for 2 hrs by FRET plus assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01599 BindingDB Entry DOI: 10.7270/Q2TM7G0Q
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50082040 ((S)-1-((R)-3-Phenyl-2-phenylmethanesulfonylamino-p...) Show SMILES NC(=N)C[C@H]1CC[C@H](CC1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)Cc1ccccc1 |wU:13.13,4.3,7.10,wD:20.30,(20.28,-11.51,;18.93,-10.74,;18.93,-9.2,;17.6,-11.51,;16.27,-10.74,;14.94,-11.51,;13.61,-10.74,;13.61,-9.2,;14.94,-8.43,;16.27,-9.2,;12.28,-8.45,;10.95,-9.22,;10.93,-10.76,;9.62,-8.45,;10.09,-6.98,;8.85,-6.07,;7.59,-6.98,;8.08,-8.45,;6.73,-9.22,;6.73,-10.76,;5.4,-8.45,;5.4,-6.91,;5.79,-5.42,;7.29,-5,;7.68,-3.51,;6.59,-2.41,;5.07,-2.83,;4.7,-4.32,;4.07,-9.22,;2.74,-8.45,;3.51,-7.12,;1.97,-9.78,;1.38,-7.68,;1.38,-6.14,;2.71,-5.37,;2.71,-3.83,;1.38,-3.06,;.05,-3.86,;.05,-5.37,)| Show InChI InChI=1S/C29H39N5O4S/c30-27(31)19-22-13-15-24(16-14-22)32-28(35)26-12-7-17-34(26)29(36)25(18-21-8-3-1-4-9-21)33-39(37,38)20-23-10-5-2-6-11-23/h1-6,8-11,22,24-26,33H,7,12-20H2,(H3,30,31)(H,32,35)/t22-,24+,25-,26+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.270	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
German National Research Center for Information Technology Curated by ChEMBL					Assay Description Binding affinity of the compound against thrombin				J Med Chem 42: 4422-33 (1999) BindingDB Entry DOI: 10.7270/Q2D21WVC
					More data for this Ligand-Target Pair
Proprotein convertase subtilisin/kexin type 9 (Homo sapiens (Human))	BDBM50581535 (CHEMBL5091040) Show SMILES CO[C@H](C)[C@@H]1NC(=O)[C@@H]2[C@@H]3CCN2C(=O)[C@H](Cc2c[nH]c4ccc(F)cc24)NC(=O)[C@H](Cc2cccc(C\C=C\CO3)c2)NC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)CCSCc2cccc(CSCCNC(=O)[C@]3(C)CCCN3C(=O)[C@H](Cc3ccc(OC)cc3)NC1=O)c2 |r,t:41| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.390	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human PCSK9 using Alexa Fluor 674 as substrate incubated for 2 hrs by FRET plus assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01599 BindingDB Entry DOI: 10.7270/Q2TM7G0Q
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5 (Homo sapiens (Human))	BDBM50049736 (8-Ethynyl-5-methyl-6-oxo-5,6-dihydro-4H-2,5,10b-tr...) Show SMILES CN1Cc2c(ncn2-c2ccc(cc2C1=O)C#C)C(=O)OC(C)(C)C Show InChI InChI=1S/C19H19N3O3/c1-6-12-7-8-14-13(9-12)17(23)21(5)10-15-16(20-11-22(14)15)18(24)25-19(2,3)4/h1,7-9,11H,10H2,2-5H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Moltech Corporation Curated by ChEMBL					Assay Description Binding affinity to GABAA alpha-5-beta-3-gamma-2 receptor				J Med Chem 51: 3788-803 (2008) Article DOI: 10.1021/jm701433b BindingDB Entry DOI: 10.7270/Q2FQ9XH6
					More data for this Ligand-Target Pair
Proprotein convertase subtilisin/kexin type 9 (Homo sapiens (Human))	BDBM50581537 (CHEMBL5086286) Show SMILES COc1ccc(C[C@@H]2NC(=O)[C@@H](NC(=O)[C@@H]3[C@@H]4CCN3C(=O)[C@H](Cc3c[nH]c5ccc(F)cc35)NC(=O)[C@H](Cc3cccc(C\C=C\CO4)c3)NC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)CCSCc3cccc(CSCCNC(=O)[C@]4(C)CCCN4C2=O)c3)[C@@H](C)O)cc1 |r,t:48| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.430	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human PCSK9 using Alexa Fluor 674 as substrate incubated for 2 hrs by FRET assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01599 BindingDB Entry DOI: 10.7270/Q2TM7G0Q
					More data for this Ligand-Target Pair
Proprotein convertase subtilisin/kexin type 9 (Homo sapiens (Human))	BDBM50581540 (CHEMBL5087487) Show SMILES CO[C@@H](C)[C@@H]1NC(=O)[C@@H]2[C@@H]3CCN2C(=O)[C@H](Cc2c[nH]c4ccc(F)cc24)NC(=O)[C@H](Cc2cccc(C\C=C\CO3)c2)NC(=O)[C@H](C)NC(=O)[C@H](CN)NC(=O)CCSCc2cccc(CSCCNC(=O)[C@]3(C)CCCN3C(=O)[C@H](Cc3ccc(OC)cc3)NC1=O)c2 |r,t:41| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.450	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human PCSK9 using Alexa Fluor 674 as substrate incubated for 2 hrs by FRET assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01599 BindingDB Entry DOI: 10.7270/Q2TM7G0Q
					More data for this Ligand-Target Pair
Proprotein convertase subtilisin/kexin type 9 (Homo sapiens (Human))	BDBM50581535 (CHEMBL5091040) Show SMILES CO[C@H](C)[C@@H]1NC(=O)[C@@H]2[C@@H]3CCN2C(=O)[C@H](Cc2c[nH]c4ccc(F)cc24)NC(=O)[C@H](Cc2cccc(C\C=C\CO3)c2)NC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)CCSCc2cccc(CSCCNC(=O)[C@]3(C)CCCN3C(=O)[C@H](Cc3ccc(OC)cc3)NC1=O)c2 |r,t:41| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.480	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human PCSK9 using Alexa Fluor 674 as substrate incubated for 2 hrs by FRET assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01599 BindingDB Entry DOI: 10.7270/Q2TM7G0Q
					More data for this Ligand-Target Pair
C-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50394116 (CHEMBL2158784) Show SMILES Cc1c(Cl)c(Cl)ccc1OC1CCN(CC2CCN(CC2)[C@@H](Cc2ccc(F)cc2)C(O)=O)CC1 |r| Show InChI InChI=1S/C27H33Cl2FN2O3/c1-18-25(7-6-23(28)26(18)29)35-22-10-12-31(13-11-22)17-20-8-14-32(15-9-20)24(27(33)34)16-19-2-4-21(30)5-3-19/h2-7,20,22,24H,8-17H2,1H3,(H,33,34)/t24-/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
AstraZeneca Curated by ChEMBL					Assay Description Binding affinity to human CCR3 expressed in CHOK1 cells by radioligand displacement assay				Bioorg Med Chem Lett 22: 6694-9 (2012) Article DOI: 10.1016/j.bmcl.2012.08.103 BindingDB Entry DOI: 10.7270/Q2Z320SD
					More data for this Ligand-Target Pair
C-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50394117 (CHEMBL2158783) Show SMILES Cc1c(Cl)ccc(OC2CCN(CC3CCN(CC3)[C@@H](Cc3ccc(F)cc3)C(O)=O)CC2)c1Cl |r| Show InChI InChI=1S/C27H33Cl2FN2O3/c1-18-23(28)6-7-25(26(18)29)35-22-10-12-31(13-11-22)17-20-8-14-32(15-9-20)24(27(33)34)16-19-2-4-21(30)5-3-19/h2-7,20,22,24H,8-17H2,1H3,(H,33,34)/t24-/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
AstraZeneca Curated by ChEMBL					Assay Description Binding affinity to human CCR3 expressed in CHOK1 cells by radioligand displacement assay				Bioorg Med Chem Lett 22: 6694-9 (2012) Article DOI: 10.1016/j.bmcl.2012.08.103 BindingDB Entry DOI: 10.7270/Q2Z320SD
					More data for this Ligand-Target Pair
C-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50394114 (CHEMBL2158791) Show SMILES Cc1cc(Cl)ccc1OC1CCN(CC2CCN(CC2)[C@@](C)(Cc2ccc(F)cc2)C(O)=O)CC1 |r| Show InChI InChI=1S/C28H36ClFN2O3/c1-20-17-23(29)5-8-26(20)35-25-11-13-31(14-12-25)19-22-9-15-32(16-10-22)28(2,27(33)34)18-21-3-6-24(30)7-4-21/h3-8,17,22,25H,9-16,18-19H2,1-2H3,(H,33,34)/t28-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.631	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Binding affinity to human CCR3 expressed in CHOK1 cells by radioligand displacement assay				Bioorg Med Chem Lett 22: 6694-9 (2012) Article DOI: 10.1016/j.bmcl.2012.08.103 BindingDB Entry DOI: 10.7270/Q2Z320SD
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5 (Homo sapiens (Human))	BDBM50244227 (CHEMBL458147 | tert-butyl 7-chloro-4-methyl-5-oxo-...) Show SMILES Cn1c2c(ncn2c2ccc(Cl)cc2c1=O)C(=O)OC(C)(C)C Show InChI InChI=1S/C16H16ClN3O3/c1-16(2,3)23-15(22)12-13-19(4)14(21)10-7-9(17)5-6-11(10)20(13)8-18-12/h5-8H,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.650	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Moltech Corporation Curated by ChEMBL					Assay Description Binding affinity to GABAA alpha-5-beta-2-gamma-2 receptor				J Med Chem 51: 3788-803 (2008) Article DOI: 10.1021/jm701433b BindingDB Entry DOI: 10.7270/Q2FQ9XH6
					More data for this Ligand-Target Pair
C-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50394160 (CHEMBL2158787) Show SMILES C[C@@](Cc1ccc(F)cc1)(N1CCC(CN2CCC(CC2)Oc2ccc(Cl)c(Cl)c2)CC1)C(O)=O |r| Show InChI InChI=1S/C27H33Cl2FN2O3/c1-27(26(33)34,17-19-2-4-21(30)5-3-19)32-14-8-20(9-15-32)18-31-12-10-22(11-13-31)35-23-6-7-24(28)25(29)16-23/h2-7,16,20,22H,8-15,17-18H2,1H3,(H,33,34)/t27-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.794	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Binding affinity to human CCR3 expressed in CHOK1 cells by radioligand displacement assay				Bioorg Med Chem Lett 22: 6694-9 (2012) Article DOI: 10.1016/j.bmcl.2012.08.103 BindingDB Entry DOI: 10.7270/Q2Z320SD
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5 (Homo sapiens (Human))	BDBM50244195 (CHEMBL453251 | ethyl 7-chloro-4-methyl-5-oxo-4,5-d...) Show SMILES CCOC(=O)c1ncn2c1n(C)c(=O)c1cc(Cl)ccc21 Show InChI InChI=1S/C14H12ClN3O3/c1-3-21-14(20)11-12-17(2)13(19)9-6-8(15)4-5-10(9)18(12)7-16-11/h4-7H,3H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.850	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Moltech Corporation Curated by ChEMBL					Assay Description Binding affinity to GABAA alpha-5-beta-2-gamma-2 receptor				J Med Chem 51: 3788-803 (2008) Article DOI: 10.1021/jm701433b BindingDB Entry DOI: 10.7270/Q2FQ9XH6
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50132022 (Biphenyl-4-carboxylic acid [4-((4aS,10bS)-7-hydrox...) Show SMILES Oc1cccc2[C@@H]3CCCN(CCCCNC(=O)c4ccc(cc4)-c4ccccc4)[C@H]3CCc12 Show InChI InChI=1S/C30H34N2O2/c33-29-12-6-10-25-26-11-7-21-32(28(26)18-17-27(25)29)20-5-4-19-31-30(34)24-15-13-23(14-16-24)22-8-2-1-3-9-22/h1-3,6,8-10,12-16,26,28,33H,4-5,7,11,17-21H2,(H,31,34)/t26-,28-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity at Dopamine receptor D3 expressed in CHO cells by [125I]iodosulpiride displacement.				Bioorg Med Chem Lett 8: 2859-64 (1998) BindingDB Entry DOI: 10.7270/Q2319Z1B
					More data for this Ligand-Target Pair
Proprotein convertase subtilisin/kexin type 9 (Homo sapiens (Human))	BDBM50581543 (CHEMBL5094648) Show SMILES CO[C@H](C)[C@@H]1NC(=O)[C@@H]2[C@@H]3CCN2C(=O)[C@H](Cc2c[nH]c4ccc(F)cc24)NC(=O)[C@H](Cc2cccc(C\C=C/CO3)c2)NC(=O)[C@@H](CN)NC(=O)[C@H](C)NC(=O)CCSCc2cccc(CSCCNC(=O)[C@]3(C)CCCN3C(=O)[C@H](Cc3ccc(OC)cc3)NC1=O)c2 |r,c:41| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human PCSK9 using Alexa Fluor 674 as substrate incubated for 2 hrs by FRET assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01599 BindingDB Entry DOI: 10.7270/Q2TM7G0Q
					More data for this Ligand-Target Pair
Urotensin-2 receptor (Homo sapiens (Human))	BDBM86516 (ETPDCFWKYCV | Human U-II | L-Ala-Gly-L-Thr-L-Ala-L...) Show SMILES CC(C)[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CS)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](C)N)[C@@H](C)O)C(O)=O Show InChI InChI=1S/C62H86N14O17S2/c1-31(2)50(62(92)93)76-60(90)47(30-95)74-56(86)43(24-36-18-20-38(78)21-19-36)70-54(84)41(17-11-12-22-63)68-57(87)44(25-37-27-65-40-16-10-9-15-39(37)40)72-55(85)42(23-35-13-7-6-8-14-35)71-59(89)46(29-94)73-58(88)45(26-49(80)81)69-53(83)33(4)67-61(91)51(34(5)77)75-48(79)28-66-52(82)32(3)64/h6-10,13-16,18-21,27,31-34,41-47,50-51,65,77-78,94-95H,11-12,17,22-26,28-30,63-64H2,1-5H3,(H,66,82)(H,67,91)(H,68,87)(H,69,83)(H,70,84)(H,71,89)(H,72,85)(H,73,88)(H,74,86)(H,75,79)(H,76,90)(H,80,81)(H,92,93)/t32-,33-,34+,41-,42-,43-,44-,45-,46-,47-,50-,51-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd. Curated by PDSP Ki Database									J Pharmacol Exp Ther 311: 204-12 (2004) Article DOI: 10.1124/jpet.104.068320 BindingDB Entry DOI: 10.7270/Q2H993RW
					More data for this Ligand-Target Pair
C-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50394113 (CHEMBL2158792) Show SMILES Cc1cc(OC2CCN(CC3CCN(CC3)[C@@](C)(Cc3ccc(F)cc3)C(O)=O)CC2)ccc1Cl |r| Show InChI InChI=1S/C28H36ClFN2O3/c1-20-17-25(7-8-26(20)29)35-24-11-13-31(14-12-24)19-22-9-15-32(16-10-22)28(2,27(33)34)18-21-3-5-23(30)6-4-21/h3-8,17,22,24H,9-16,18-19H2,1-2H3,(H,33,34)/t28-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Binding affinity to human CCR3 expressed in CHOK1 cells by radioligand displacement assay				Bioorg Med Chem Lett 22: 6694-9 (2012) Article DOI: 10.1016/j.bmcl.2012.08.103 BindingDB Entry DOI: 10.7270/Q2Z320SD
					More data for this Ligand-Target Pair
C-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50394115 (CHEMBL2158785) Show SMILES Cc1c(Cl)c(ccc1OC1CCN(CC2CCN(CC2)[C@@H](Cc2ccc(F)cc2)C(O)=O)CC1)C#N |r| Show InChI InChI=1S/C28H33ClFN3O3/c1-19-26(7-4-22(17-31)27(19)29)36-24-10-12-32(13-11-24)18-21-8-14-33(15-9-21)25(28(34)35)16-20-2-5-23(30)6-3-20/h2-7,21,24-25H,8-16,18H2,1H3,(H,34,35)/t25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Binding affinity to human CCR3 expressed in CHOK1 cells by radioligand displacement assay				Bioorg Med Chem Lett 22: 6694-9 (2012) Article DOI: 10.1016/j.bmcl.2012.08.103 BindingDB Entry DOI: 10.7270/Q2Z320SD
					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 human PCSK9 using Alexa Fluor 674 as substrate incubated for 2 hrs by FRET assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01599 BindingDB Entry DOI: 10.7270/Q2TM7G0Q
					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
C-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50394158 (CHEMBL2158789) Show SMILES Cc1c(Cl)c(Cl)ccc1OC1CCN(CC2CCN(CC2)[C@@](C)(Cc2ccccc2)C(O)=O)CC1 |r| Show InChI InChI=1S/C28H36Cl2N2O3/c1-20-25(9-8-24(29)26(20)30)35-23-12-14-31(15-13-23)19-22-10-16-32(17-11-22)28(2,27(33)34)18-21-6-4-3-5-7-21/h3-9,22-23H,10-19H2,1-2H3,(H,33,34)/t28-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.58	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Binding affinity to human CCR3 expressed in CHOK1 cells by radioligand displacement assay				Bioorg Med Chem Lett 22: 6694-9 (2012) Article DOI: 10.1016/j.bmcl.2012.08.103 BindingDB Entry DOI: 10.7270/Q2Z320SD
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5 (Homo sapiens (Human))	BDBM50244262 (CHEMBL471978 | ethyl 7-ethynyl-4-methyl-5-oxo-4,5-...) Show SMILES CCOC(=O)c1ncn2c1n(C)c(=O)c1cc(ccc21)C#C Show InChI InChI=1S/C16H13N3O3/c1-4-10-6-7-12-11(8-10)15(20)18(3)14-13(16(21)22-5-2)17-9-19(12)14/h1,6-9H,5H2,2-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.68	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Moltech Corporation Curated by ChEMBL					Assay Description Binding affinity to GABAA alpha-5-beta-3-gamma-2 receptor				J Med Chem 51: 3788-803 (2008) Article DOI: 10.1021/jm701433b BindingDB Entry DOI: 10.7270/Q2FQ9XH6
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50216344 (CHEMBL319116) Show SMILES [H][C@]12CCc3c(O)cccc3[C@]1([H])CCN2CCCCNC(=O)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C29H32N2O2/c32-28-10-6-9-24-25-17-20-31(27(25)16-15-26(24)28)19-5-4-18-30-29(33)23-13-11-22(12-14-23)21-7-2-1-3-8-21/h1-3,6-14,25,27,32H,4-5,15-20H2,(H,30,33)/t25-,27-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity at Dopamine receptor D3 expressed in CHO cells by [125I]iodosulpiride displacement.				Bioorg Med Chem Lett 8: 2859-64 (1998) BindingDB Entry DOI: 10.7270/Q2319Z1B
					More data for this Ligand-Target Pair
C-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50394112 (CHEMBL2158793) Show SMILES Cc1cc(F)ccc1OC1CCN(CC2CCN(CC2)[C@@](C)(Cc2ccc(F)cc2)C(O)=O)CC1 |r| Show InChI InChI=1S/C28H36F2N2O3/c1-20-17-24(30)7-8-26(20)35-25-11-13-31(14-12-25)19-22-9-15-32(16-10-22)28(2,27(33)34)18-21-3-5-23(29)6-4-21/h3-8,17,22,25H,9-16,18-19H2,1-2H3,(H,33,34)/t28-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Binding affinity to human CCR3 expressed in CHOK1 cells by radioligand displacement assay				Bioorg Med Chem Lett 22: 6694-9 (2012) Article DOI: 10.1016/j.bmcl.2012.08.103 BindingDB Entry DOI: 10.7270/Q2Z320SD
					More data for this Ligand-Target Pair
C-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50394159 (CHEMBL2158788) Show SMILES Cc1c(Cl)c(Cl)ccc1OC1CCN(CC2CCN(CC2)[C@@H](Cc2ccccc2)C(O)=O)CC1 |r| Show InChI InChI=1S/C27H34Cl2N2O3/c1-19-25(8-7-23(28)26(19)29)34-22-11-13-30(14-12-22)18-21-9-15-31(16-10-21)24(27(32)33)17-20-5-3-2-4-6-20/h2-8,21-22,24H,9-18H2,1H3,(H,32,33)/t24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Binding affinity to human CCR3 expressed in CHOK1 cells by radioligand displacement assay				Bioorg Med Chem Lett 22: 6694-9 (2012) Article DOI: 10.1016/j.bmcl.2012.08.103 BindingDB Entry DOI: 10.7270/Q2Z320SD
					More data for this Ligand-Target Pair
C-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50394150 (CHEMBL2158822) Show SMILES OC(=O)c1ccccc1N1CCC(CN2CCC(CC2)Oc2ccc(Cl)c(Cl)c2)CC1 Show InChI InChI=1S/C24H28Cl2N2O3/c25-21-6-5-19(15-22(21)26)31-18-9-11-27(12-10-18)16-17-7-13-28(14-8-17)23-4-2-1-3-20(23)24(29)30/h1-6,15,17-18H,7-14,16H2,(H,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Binding affinity to human CCR3 expressed in CHOK1 cells by radioligand displacement assay				Bioorg Med Chem Lett 22: 6694-9 (2012) Article DOI: 10.1016/j.bmcl.2012.08.103 BindingDB Entry DOI: 10.7270/Q2Z320SD
					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
Proprotein convertase subtilisin/kexin type 9 (Homo sapiens (Human))	BDBM50581539 (CHEMBL5084586) Show SMILES CO[C@H](C)[C@@H]1NC(=O)[C@@H]2[C@@H]3CCN2C(=O)[C@H](Cc2c[nH]c4ccc(F)cc24)NC(=O)[C@H](Cc2cccc(CCCCO3)c2)NC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)CCSCc2cccc(CSCCNC(=O)[C@]3(C)CCCN3C(=O)[C@H](Cc3ccc(OC)cc3)NC1=O)c2 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human PCSK9 using Alexa Fluor 674 as substrate incubated for 2 hrs by FRET assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01599 BindingDB Entry DOI: 10.7270/Q2TM7G0Q
					More data for this Ligand-Target Pair
Proprotein convertase subtilisin/kexin type 9 (Homo sapiens (Human))	BDBM50581543 (CHEMBL5094648) Show SMILES CO[C@H](C)[C@@H]1NC(=O)[C@@H]2[C@@H]3CCN2C(=O)[C@H](Cc2c[nH]c4ccc(F)cc24)NC(=O)[C@H](Cc2cccc(C\C=C/CO3)c2)NC(=O)[C@@H](CN)NC(=O)[C@H](C)NC(=O)CCSCc2cccc(CSCCNC(=O)[C@]3(C)CCCN3C(=O)[C@H](Cc3ccc(OC)cc3)NC1=O)c2 |r,c:41| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human PCSK9 using Alexa Fluor 674 as substrate incubated for 2 hrs by FRET plus assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01599 BindingDB Entry DOI: 10.7270/Q2TM7G0Q
					More data for this Ligand-Target Pair

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