Compile Data Set for Download or QSAR

Found 1497 hits with Last Name = 'bhat' and Initial = 'b'   

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
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50398821 (CHEMBL2177537) Show SMILES C1NC[C@H]2C[C@@H]1CC(=C2)c1cccnc1 |r,c:8| Show InChI InChI=1S/C13H16N2/c1-2-12(9-14-3-1)13-5-10-4-11(6-13)8-15-7-10/h1-3,5,9-11,15H,4,6-8H2/t10-,11+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Targacept, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]nicotine from human alpha4beta2 nAChR expressed in human SH-EP1 cells				J Med Chem 55: 9929-45 (2012) Article DOI: 10.1021/jm3011299 BindingDB Entry DOI: 10.7270/Q2474C0B
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50397944 (CHEMBL2177512) Show SMILES C1NCC2CC1CN(C2)c1cccnc1 Show InChI InChI=1S/C12H17N3/c1-2-12(7-13-3-1)15-8-10-4-11(9-15)6-14-5-10/h1-3,7,10-11,14H,4-6,8-9H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Targacept, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]nicotine from human alpha4beta2 nAChR expressed in human SH-EP1 cells				J Med Chem 55: 9929-45 (2012) Article DOI: 10.1021/jm3011299 BindingDB Entry DOI: 10.7270/Q2474C0B
					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))	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))	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))	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
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50398820 (CHEMBL2177538) Show SMILES C1NC[C@@H]2C[C@H]1CC(=C2)c1cccnc1 |r,c:8| Show InChI InChI=1S/C13H16N2/c1-2-12(9-14-3-1)13-5-10-4-11(6-13)8-15-7-10/h1-3,5,9-11,15H,4,6-8H2/t10-,11+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
Targacept, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]nicotine from human alpha4beta2 nAChR expressed in human SH-EP1 cells				J Med Chem 55: 9929-45 (2012) Article DOI: 10.1021/jm3011299 BindingDB Entry DOI: 10.7270/Q2474C0B
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50398850 (CHEMBL2177552) Show SMILES Fc1cncc(c1)C1=C[C@H]2CNC[C@H](C2)C1 |r,t:8| Show InChI InChI=1S/C13H15FN2/c14-13-4-12(7-16-8-13)11-2-9-1-10(3-11)6-15-5-9/h2,4,7-10,15H,1,3,5-6H2/t9-,10+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
Targacept, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]nicotine from human alpha4beta2 nAChR expressed in human SH-EP1 cells				J Med Chem 55: 9929-45 (2012) Article DOI: 10.1021/jm3011299 BindingDB Entry DOI: 10.7270/Q2474C0B
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50398820 (CHEMBL2177538) Show SMILES C1NC[C@@H]2C[C@H]1CC(=C2)c1cccnc1 |r,c:8| Show InChI InChI=1S/C13H16N2/c1-2-12(9-14-3-1)13-5-10-4-11(6-13)8-15-7-10/h1-3,5,9-11,15H,4,6-8H2/t10-,11+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
Targacept, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]nicotine from human alpha4beta2 nAChR expressed in human SH-EP1 cells				J Med Chem 55: 9929-45 (2012) Article DOI: 10.1021/jm3011299 BindingDB Entry DOI: 10.7270/Q2474C0B
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50398849 (CHEMBL2177553) Show SMILES Fc1cncc(c1)C1=C[C@@H]2CNC[C@@H](C2)C1 |r,t:8| Show InChI InChI=1S/C13H15FN2/c14-13-4-12(7-16-8-13)11-2-9-1-10(3-11)6-15-5-9/h2,4,7-10,15H,1,3,5-6H2/t9-,10+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
Targacept, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]nicotine from human alpha4beta2 nAChR expressed in human SH-EP1 cells				J Med Chem 55: 9929-45 (2012) Article DOI: 10.1021/jm3011299 BindingDB Entry DOI: 10.7270/Q2474C0B
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50397944 (CHEMBL2177512) Show SMILES C1NCC2CC1CN(C2)c1cccnc1 Show InChI InChI=1S/C12H17N3/c1-2-12(7-13-3-1)15-8-10-4-11(9-15)6-14-5-10/h1-3,7,10-11,14H,4-6,8-9H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
Targacept, Inc. Curated by ChEMBL					Assay Description Binding affinity to alpha4beta2 nAChR				J Med Chem 55: 9181-94 (2012) Article DOI: 10.1021/jm3006542 BindingDB Entry DOI: 10.7270/Q2W0972W
					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
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50398832 (CHEMBL2177518) Show SMILES C1NCC2CC1CC(=C2)c1cncnc1 |c:8,TLB:9:7:0.1.2:4| Show InChI InChI=1S/C12H15N3/c1-9-2-11(3-10(1)5-13-4-9)12-6-14-8-15-7-12/h2,6-10,13H,1,3-5H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL 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
Targacept, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]nicotine from human alpha4beta2 nAChR expressed in human SH-EP1 cells				J Med Chem 55: 9929-45 (2012) Article DOI: 10.1021/jm3011299 BindingDB Entry DOI: 10.7270/Q2474C0B
					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
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50398815 (CHEMBL2177543) Show SMILES CC(C)Oc1cncc(c1)C1=CC2CNCC(C2)C1 |t:11,TLB:8:10:15.14.13:17| Show InChI InChI=1S/C16H22N2O/c1-11(2)19-16-6-15(9-18-10-16)14-4-12-3-13(5-14)8-17-7-12/h4,6,9-13,17H,3,5,7-8H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Targacept, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]nicotine from human alpha4beta2 nAChR expressed in human SH-EP1 cells				J Med Chem 55: 9929-45 (2012) Article DOI: 10.1021/jm3011299 BindingDB Entry DOI: 10.7270/Q2474C0B
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50135597 (2-Pyridin-3-yl-9-aza-bicyclo[4.2.1]non-2-ene | CHE...) Show SMILES C1CC2NC1CCC=C2c1cccnc1 |c:8,THB:9:8:3:1.0| Show InChI InChI=1S/C13H16N2/c1-4-11-6-7-13(15-11)12(5-1)10-3-2-8-14-9-10/h2-3,5,8-9,11,13,15H,1,4,6-7H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.270	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Targacept, Inc. Curated by ChEMBL					Assay Description Binding affinity to alpha4beta2 nAChR				J Med Chem 55: 9181-94 (2012) Article DOI: 10.1021/jm3006542 BindingDB Entry DOI: 10.7270/Q2W0972W
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50398848 (CHEMBL2178156) Show SMILES N#Cc1cncc(c1)C1=C[C@H]2CNC[C@H](C2)C1 |r,t:9| Show InChI InChI=1S/C14H15N3/c15-5-12-4-14(9-17-8-12)13-2-10-1-11(3-13)7-16-6-10/h2,4,8-11,16H,1,3,6-7H2/t10-,11+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Targacept, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]nicotine from human alpha4beta2 nAChR expressed in human SH-EP1 cells				J Med Chem 55: 9929-45 (2012) Article DOI: 10.1021/jm3011299 BindingDB Entry DOI: 10.7270/Q2474C0B
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50398841 (CHEMBL2177528) Show SMILES Cc1ccc(cn1)C1=CC2CNCC(C2)C1 |t:8,TLB:4:7:12.11.10:14| Show InChI InChI=1S/C14H18N2/c1-10-2-3-13(9-16-10)14-5-11-4-12(6-14)8-15-7-11/h2-3,5,9,11-12,15H,4,6-8H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Targacept, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]nicotine from human alpha4beta2 nAChR expressed in human SH-EP1 cells				J Med Chem 55: 9929-45 (2012) Article DOI: 10.1021/jm3011299 BindingDB Entry DOI: 10.7270/Q2474C0B
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50398849 (CHEMBL2177553) Show SMILES Fc1cncc(c1)C1=C[C@@H]2CNC[C@@H](C2)C1 |r,t:8| Show InChI InChI=1S/C13H15FN2/c14-13-4-12(7-16-8-13)11-2-9-1-10(3-11)6-15-5-9/h2,4,7-10,15H,1,3,5-6H2/t9-,10+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Targacept, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]nicotine from human alpha4beta2 nAChR expressed in human SH-EP1 cells				J Med Chem 55: 9929-45 (2012) Article DOI: 10.1021/jm3011299 BindingDB Entry DOI: 10.7270/Q2474C0B
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50398817 (CHEMBL2177541) Show SMILES COc1cncc(c1)C1=CC2CNCC(C2)C1 |t:9,TLB:6:8:13.12.11:15| Show InChI InChI=1S/C14H18N2O/c1-17-14-5-13(8-16-9-14)12-3-10-2-11(4-12)7-15-6-10/h3,5,8-11,15H,2,4,6-7H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Targacept, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]nicotine from human alpha4beta2 nAChR expressed in human SH-EP1 cells				J Med Chem 55: 9929-45 (2012) Article DOI: 10.1021/jm3011299 BindingDB Entry DOI: 10.7270/Q2474C0B
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50398847 (CHEMBL2177535) Show SMILES N#Cc1cncc(c1)C1=C[C@@H]2CNC[C@@H](C2)C1 |r,t:9| Show InChI InChI=1S/C14H15N3/c15-5-12-4-14(9-17-8-12)13-2-10-1-11(3-13)7-16-6-10/h2,4,8-11,16H,1,3,6-7H2/t10-,11+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Targacept, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]nicotine from human alpha4beta2 nAChR expressed in human SH-EP1 cells				J Med Chem 55: 9929-45 (2012) Article DOI: 10.1021/jm3011299 BindingDB Entry DOI: 10.7270/Q2474C0B
					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
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50398860 (CHEMBL2177549) Show SMILES COc1cc(cnc1Cl)C1=CC2CNCC(C2)C1 |t:10,TLB:4:9:14.13.12:16| Show InChI InChI=1S/C14H17ClN2O/c1-18-13-5-12(8-17-14(13)15)11-3-9-2-10(4-11)7-16-6-9/h3,5,8-10,16H,2,4,6-7H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Targacept, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]nicotine from human alpha4beta2 nAChR expressed in human SH-EP1 cells				J Med Chem 55: 9929-45 (2012) Article DOI: 10.1021/jm3011299 BindingDB Entry DOI: 10.7270/Q2474C0B
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50398857 (CHEMBL2177555) Show SMILES Clc1cncc(c1)C1=CC2CNCC(C2)C1 |t:8,TLB:5:7:12.11.10:14| Show InChI InChI=1S/C13H15ClN2/c14-13-4-12(7-16-8-13)11-2-9-1-10(3-11)6-15-5-9/h2,4,7-10,15H,1,3,5-6H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Targacept, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]nicotine from human alpha4beta2 nAChR expressed in human SH-EP1 cells				J Med Chem 55: 9929-45 (2012) Article DOI: 10.1021/jm3011299 BindingDB Entry DOI: 10.7270/Q2474C0B
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50398845 (CHEMBL2177522) Show SMILES Fc1ccc(cn1)C1=CC2CNCC(C2)C1 |t:8,TLB:4:7:12.11.10:14| Show InChI InChI=1S/C13H15FN2/c14-13-2-1-11(8-16-13)12-4-9-3-10(5-12)7-15-6-9/h1-2,4,8-10,15H,3,5-7H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Targacept, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]nicotine from human alpha4beta2 nAChR expressed in human SH-EP1 cells				J Med Chem 55: 9929-45 (2012) Article DOI: 10.1021/jm3011299 BindingDB Entry DOI: 10.7270/Q2474C0B
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50398843 (CHEMBL2177524) Show SMILES Clc1ccc(cn1)C1=CC2CNCC(C2)C1 |t:8,TLB:4:7:12.11.10:14| Show InChI InChI=1S/C13H15ClN2/c14-13-2-1-11(8-16-13)12-4-9-3-10(5-12)7-15-6-9/h1-2,4,8-10,15H,3,5-7H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Targacept, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]nicotine from human alpha4beta2 nAChR expressed in human SH-EP1 cells				J Med Chem 55: 9929-45 (2012) Article DOI: 10.1021/jm3011299 BindingDB Entry DOI: 10.7270/Q2474C0B
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50398852 (CHEMBL2177526) Show SMILES COc1ccc(cn1)C1=CC2CNCC(C2)C1 |t:9,TLB:5:8:13.12.11:15| Show InChI InChI=1S/C14H18N2O/c1-17-14-3-2-12(9-16-14)13-5-10-4-11(6-13)8-15-7-10/h2-3,5,9-11,15H,4,6-8H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Targacept, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]nicotine from human alpha4beta2 nAChR expressed in human SH-EP1 cells				J Med Chem 55: 9929-45 (2012) Article DOI: 10.1021/jm3011299 BindingDB Entry DOI: 10.7270/Q2474C0B
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50398830 (CHEMBL2177516) Show SMILES Clc1ccc(nn1)C1=CC2CNCC(C2)C1 |t:8,TLB:4:7:12.11.10:14| Show InChI InChI=1S/C12H14ClN3/c13-12-2-1-11(15-16-12)10-4-8-3-9(5-10)7-14-6-8/h1-2,4,8-9,14H,3,5-7H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Targacept, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]nicotine from human alpha4beta2 nAChR expressed in human SH-EP1 cells				J Med Chem 55: 9929-45 (2012) Article DOI: 10.1021/jm3011299 BindingDB Entry DOI: 10.7270/Q2474C0B
					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
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50398822 (CHEMBL2177514) Show SMILES Fc1ccc(Oc2cncc(c2)C2=CC3CNCC(C3)C2)cc1 |t:13,TLB:10:12:17.16.15:19| Show InChI InChI=1S/C19H19FN2O/c20-17-1-3-18(4-2-17)23-19-8-16(11-22-12-19)15-6-13-5-14(7-15)10-21-9-13/h1-4,6,8,11-14,21H,5,7,9-10H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Targacept, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]nicotine from human alpha4beta2 nAChR expressed in human SH-EP1 cells				J Med Chem 55: 9929-45 (2012) Article DOI: 10.1021/jm3011299 BindingDB Entry DOI: 10.7270/Q2474C0B
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50398847 (CHEMBL2177535) Show SMILES N#Cc1cncc(c1)C1=C[C@@H]2CNC[C@@H](C2)C1 |r,t:9| Show InChI InChI=1S/C14H15N3/c15-5-12-4-14(9-17-8-12)13-2-10-1-11(3-13)7-16-6-10/h2,4,8-11,16H,1,3,6-7H2/t10-,11+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Targacept, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]nicotine from human alpha4beta2 nAChR expressed in human SH-EP1 cells				J Med Chem 55: 9929-45 (2012) Article DOI: 10.1021/jm3011299 BindingDB Entry DOI: 10.7270/Q2474C0B
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50398816 (CHEMBL2177542) Show SMILES COc1cncc(c1)C1=CC2CC(CN(C)C2)C1 |t:9,THB:6:8:13.14.16:11| Show InChI InChI=1S/C15H20N2O/c1-17-9-11-3-12(10-17)5-13(4-11)14-6-15(18-2)8-16-7-14/h4,6-8,11-12H,3,5,9-10H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Targacept, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]nicotine from human alpha4beta2 nAChR expressed in human SH-EP1 cells				J Med Chem 55: 9929-45 (2012) Article DOI: 10.1021/jm3011299 BindingDB Entry DOI: 10.7270/Q2474C0B
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50398862 (CHEMBL2177547) Show SMILES C(Oc1cncc(c1)C1=CC2CNCC(C2)C1)c1ccccc1 |t:9,TLB:6:8:13.12.11:15| Show InChI InChI=1S/C20H22N2O/c1-2-4-15(5-3-1)14-23-20-9-19(12-22-13-20)18-7-16-6-17(8-18)11-21-10-16/h1-5,7,9,12-13,16-17,21H,6,8,10-11,14H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Targacept, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]nicotine from human alpha4beta2 nAChR expressed in human SH-EP1 cells				J Med Chem 55: 9929-45 (2012) Article DOI: 10.1021/jm3011299 BindingDB Entry DOI: 10.7270/Q2474C0B
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50398838 (CHEMBL2177545) Show SMILES C1NCC2CC1CC(=C2)c1cncc(Oc2ccccc2)c1 |c:8,TLB:9:7:0.1.2:4| Show InChI InChI=1S/C19H20N2O/c1-2-4-18(5-3-1)22-19-9-17(12-21-13-19)16-7-14-6-15(8-16)11-20-10-14/h1-5,7,9,12-15,20H,6,8,10-11H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Targacept, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]nicotine from human alpha4beta2 nAChR expressed in human SH-EP1 cells				J Med Chem 55: 9929-45 (2012) Article DOI: 10.1021/jm3011299 BindingDB Entry DOI: 10.7270/Q2474C0B
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50398854 (CHEMBL2177533) Show SMILES FC(F)(F)c1cncc(c1)C1=CC2CNCC(C2)C1 |t:11,TLB:8:10:15.14.13:17| Show InChI InChI=1S/C14H15F3N2/c15-14(16,17)13-4-12(7-19-8-13)11-2-9-1-10(3-11)6-18-5-9/h2,4,7-10,18H,1,3,5-6H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Targacept, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]nicotine from human alpha4beta2 nAChR expressed in human SH-EP1 cells				J Med Chem 55: 9929-45 (2012) Article DOI: 10.1021/jm3011299 BindingDB Entry DOI: 10.7270/Q2474C0B
					More data for this Ligand-Target Pair

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