Compile Data Set for Download or QSAR

Found 55 hits Enz. Inhib. hit(s) with all data for entry = 50018004   

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
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50569820 (CHEMBL4860275) Show SMILES CCC(Oc1cc(Cl)ccc1Cl)c1nc(N)nc(n1)N1CCN(C)CC1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114645 BindingDB Entry DOI: 10.7270/Q2SQ94GB
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50569815 (CHEMBL4873623) Show SMILES CCC(Oc1cccc(Cl)c1Cl)c1nc(N)nc(n1)N1CCN(C)CC1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114645 BindingDB Entry DOI: 10.7270/Q2SQ94GB
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50606915 (CHEMBL5219240) Show SMILES CN1CCN(CC1)c1nc(N)nc(n1)C(C)(C)Sc1ccc2ccccc2c1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE 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									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114645 BindingDB Entry DOI: 10.7270/Q2SQ94GB
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50516529 (CHEMBL4520796) Show SMILES CC(C)c1ccc(C)cc1OCc1nc(N)nc(n1)N1CCN(C)CC1 Show InChI InChI=1S/C19H28N6O/c1-13(2)15-6-5-14(3)11-16(15)26-12-17-21-18(20)23-19(22-17)25-9-7-24(4)8-10-25/h5-6,11,13H,7-10,12H2,1-4H3,(H2,20,21,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank 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									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114645 BindingDB Entry DOI: 10.7270/Q2SQ94GB
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50252344 (CHEMBL4086515) Show SMILES CN1CCN(CC1)c1nc(N)nc(Cc2c[nH]c3ccccc23)n1 Show InChI InChI=1S/C17H21N7/c1-23-6-8-24(9-7-23)17-21-15(20-16(18)22-17)10-12-11-19-14-5-3-2-4-13(12)14/h2-5,11,19H,6-10H2,1H3,(H2,18,20,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114645 BindingDB Entry DOI: 10.7270/Q2SQ94GB
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50516522 (CHEMBL4447416) Show SMILES CC(Oc1ccccc1Cl)c1nc(N)nc(n1)N1CCN(C)CC1 Show InChI InChI=1S/C16H21ClN6O/c1-11(24-13-6-4-3-5-12(13)17)14-19-15(18)21-16(20-14)23-9-7-22(2)8-10-23/h3-6,11H,7-10H2,1-2H3,(H2,18,19,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114645 BindingDB Entry DOI: 10.7270/Q2SQ94GB
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50606915 (CHEMBL5219240) Show SMILES CN1CCN(CC1)c1nc(N)nc(n1)C(C)(C)Sc1ccc2ccccc2c1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE 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									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114645 BindingDB Entry DOI: 10.7270/Q2SQ94GB
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50569815 (CHEMBL4873623) Show SMILES CCC(Oc1cccc(Cl)c1Cl)c1nc(N)nc(n1)N1CCN(C)CC1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	210	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114645 BindingDB Entry DOI: 10.7270/Q2SQ94GB
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50606915 (CHEMBL5219240) Show SMILES CN1CCN(CC1)c1nc(N)nc(n1)C(C)(C)Sc1ccc2ccccc2c1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114645 BindingDB Entry DOI: 10.7270/Q2SQ94GB
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50569820 (CHEMBL4860275) Show SMILES CCC(Oc1cc(Cl)ccc1Cl)c1nc(N)nc(n1)N1CCN(C)CC1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	320	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114645 BindingDB Entry DOI: 10.7270/Q2SQ94GB
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50569815 (CHEMBL4873623) Show SMILES CCC(Oc1cccc(Cl)c1Cl)c1nc(N)nc(n1)N1CCN(C)CC1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	420	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114645 BindingDB Entry DOI: 10.7270/Q2SQ94GB
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50516529 (CHEMBL4520796) Show SMILES CC(C)c1ccc(C)cc1OCc1nc(N)nc(n1)N1CCN(C)CC1 Show InChI InChI=1S/C19H28N6O/c1-13(2)15-6-5-14(3)11-16(15)26-12-17-21-18(20)23-19(22-17)25-9-7-24(4)8-10-25/h5-6,11,13H,7-10,12H2,1-4H3,(H2,20,21,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	430	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114645 BindingDB Entry DOI: 10.7270/Q2SQ94GB
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50569820 (CHEMBL4860275) Show SMILES CCC(Oc1cc(Cl)ccc1Cl)c1nc(N)nc(n1)N1CCN(C)CC1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	480	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114645 BindingDB Entry DOI: 10.7270/Q2SQ94GB
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50569815 (CHEMBL4873623) Show SMILES CCC(Oc1cccc(Cl)c1Cl)c1nc(N)nc(n1)N1CCN(C)CC1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	520	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114645 BindingDB Entry DOI: 10.7270/Q2SQ94GB
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50606915 (CHEMBL5219240) Show SMILES CN1CCN(CC1)c1nc(N)nc(n1)C(C)(C)Sc1ccc2ccccc2c1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	610	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114645 BindingDB Entry DOI: 10.7270/Q2SQ94GB
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50516522 (CHEMBL4447416) Show SMILES CC(Oc1ccccc1Cl)c1nc(N)nc(n1)N1CCN(C)CC1 Show InChI InChI=1S/C16H21ClN6O/c1-11(24-13-6-4-3-5-12(13)17)14-19-15(18)21-16(20-14)23-9-7-22(2)8-10-23/h3-6,11H,7-10H2,1-2H3,(H2,18,19,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114645 BindingDB Entry DOI: 10.7270/Q2SQ94GB
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50516529 (CHEMBL4520796) Show SMILES CC(C)c1ccc(C)cc1OCc1nc(N)nc(n1)N1CCN(C)CC1 Show InChI InChI=1S/C19H28N6O/c1-13(2)15-6-5-14(3)11-16(15)26-12-17-21-18(20)23-19(22-17)25-9-7-24(4)8-10-25/h5-6,11,13H,7-10,12H2,1-4H3,(H2,20,21,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.09E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114645 BindingDB Entry DOI: 10.7270/Q2SQ94GB
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50252344 (CHEMBL4086515) Show SMILES CN1CCN(CC1)c1nc(N)nc(Cc2c[nH]c3ccccc23)n1 Show InChI InChI=1S/C17H21N7/c1-23-6-8-24(9-7-23)17-21-15(20-16(18)22-17)10-12-11-19-14-5-3-2-4-13(12)14/h2-5,11,19H,6-10H2,1H3,(H2,18,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.76E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114645 BindingDB Entry DOI: 10.7270/Q2SQ94GB
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50516522 (CHEMBL4447416) Show SMILES CC(Oc1ccccc1Cl)c1nc(N)nc(n1)N1CCN(C)CC1 Show InChI InChI=1S/C16H21ClN6O/c1-11(24-13-6-4-3-5-12(13)17)14-19-15(18)21-16(20-14)23-9-7-22(2)8-10-23/h3-6,11H,7-10H2,1-2H3,(H2,18,19,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.83E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114645 BindingDB Entry DOI: 10.7270/Q2SQ94GB
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50252344 (CHEMBL4086515) Show SMILES CN1CCN(CC1)c1nc(N)nc(Cc2c[nH]c3ccccc23)n1 Show InChI InChI=1S/C17H21N7/c1-23-6-8-24(9-7-23)17-21-15(20-16(18)22-17)10-12-11-19-14-5-3-2-4-13(12)14/h2-5,11,19H,6-10H2,1H3,(H2,18,20,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.95E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114645 BindingDB Entry DOI: 10.7270/Q2SQ94GB
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50606915 (CHEMBL5219240) Show SMILES CN1CCN(CC1)c1nc(N)nc(n1)C(C)(C)Sc1ccc2ccccc2c1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	2.29E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114645 BindingDB Entry DOI: 10.7270/Q2SQ94GB
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50516522 (CHEMBL4447416) Show SMILES CC(Oc1ccccc1Cl)c1nc(N)nc(n1)N1CCN(C)CC1 Show InChI InChI=1S/C16H21ClN6O/c1-11(24-13-6-4-3-5-12(13)17)14-19-15(18)21-16(20-14)23-9-7-22(2)8-10-23/h3-6,11H,7-10H2,1-2H3,(H2,18,19,20,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.54E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114645 BindingDB Entry DOI: 10.7270/Q2SQ94GB
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50569820 (CHEMBL4860275) Show SMILES CCC(Oc1cc(Cl)ccc1Cl)c1nc(N)nc(n1)N1CCN(C)CC1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.76E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114645 BindingDB Entry DOI: 10.7270/Q2SQ94GB
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50569815 (CHEMBL4873623) Show SMILES CCC(Oc1cccc(Cl)c1Cl)c1nc(N)nc(n1)N1CCN(C)CC1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114645 BindingDB Entry DOI: 10.7270/Q2SQ94GB
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50569820 (CHEMBL4860275) Show SMILES CCC(Oc1cc(Cl)ccc1Cl)c1nc(N)nc(n1)N1CCN(C)CC1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.71E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114645 BindingDB Entry DOI: 10.7270/Q2SQ94GB
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50252344 (CHEMBL4086515) Show SMILES CN1CCN(CC1)c1nc(N)nc(Cc2c[nH]c3ccccc23)n1 Show InChI InChI=1S/C17H21N7/c1-23-6-8-24(9-7-23)17-21-15(20-16(18)22-17)10-12-11-19-14-5-3-2-4-13(12)14/h2-5,11,19H,6-10H2,1H3,(H2,18,20,21,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	9.45E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114645 BindingDB Entry DOI: 10.7270/Q2SQ94GB
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50516529 (CHEMBL4520796) Show SMILES CC(C)c1ccc(C)cc1OCc1nc(N)nc(n1)N1CCN(C)CC1 Show InChI InChI=1S/C19H28N6O/c1-13(2)15-6-5-14(3)11-16(15)26-12-17-21-18(20)23-19(22-17)25-9-7-24(4)8-10-25/h5-6,11,13H,7-10,12H2,1-4H3,(H2,20,21,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114645 BindingDB Entry DOI: 10.7270/Q2SQ94GB
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50516529 (CHEMBL4520796) Show SMILES CC(C)c1ccc(C)cc1OCc1nc(N)nc(n1)N1CCN(C)CC1 Show InChI InChI=1S/C19H28N6O/c1-13(2)15-6-5-14(3)11-16(15)26-12-17-21-18(20)23-19(22-17)25-9-7-24(4)8-10-25/h5-6,11,13H,7-10,12H2,1-4H3,(H2,20,21,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.25E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114645 BindingDB Entry DOI: 10.7270/Q2SQ94GB
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50252344 (CHEMBL4086515) Show SMILES CN1CCN(CC1)c1nc(N)nc(Cc2c[nH]c3ccccc23)n1 Show InChI InChI=1S/C17H21N7/c1-23-6-8-24(9-7-23)17-21-15(20-16(18)22-17)10-12-11-19-14-5-3-2-4-13(12)14/h2-5,11,19H,6-10H2,1H3,(H2,18,20,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.68E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114645 BindingDB Entry DOI: 10.7270/Q2SQ94GB
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50516522 (CHEMBL4447416) Show SMILES CC(Oc1ccccc1Cl)c1nc(N)nc(n1)N1CCN(C)CC1 Show InChI InChI=1S/C16H21ClN6O/c1-11(24-13-6-4-3-5-12(13)17)14-19-15(18)21-16(20-14)23-9-7-22(2)8-10-23/h3-6,11H,7-10H2,1-2H3,(H2,18,19,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.87E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114645 BindingDB Entry DOI: 10.7270/Q2SQ94GB
					More data for this Ligand-Target Pair
1-acyl-sn-glycerol-3-phosphate acyltransferase beta (Homo sapiens (Human))	BDBM50606913 (CHEMBL5219455) Show SMILES CCc1c(oc2ccccc12)-c1nc(N)nc(Nc2ccc(C)cc2)n1 Show InChI	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114645 BindingDB Entry DOI: 10.7270/Q2SQ94GB
					More data for this Ligand-Target Pair
1-acyl-sn-glycerol-3-phosphate acyltransferase beta (Homo sapiens (Human))	BDBM50606912 (CHEMBL5219496) Show SMILES CCc1ccc(Nc2nc(N)nc(n2)-c2oc3ccccc3c2C)cc1 Show InChI	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114645 BindingDB Entry DOI: 10.7270/Q2SQ94GB
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2 (Homo sapiens (Human))	BDBM50116131 (CHEMBL66782 | N-(3-Methoxy-4-oxazol-5-yl-phenyl)-6...) Show SMILES COc1cc(Nc2nc(N)nc(n2)-c2ccccc2)ccc1-c1cnco1 Show InChI InChI=1S/C19H16N6O2/c1-26-15-9-13(7-8-14(15)16-10-21-11-27-16)22-19-24-17(23-18(20)25-19)12-5-3-2-4-6-12/h2-11H,1H3,(H3,20,22,23,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	54	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114645 BindingDB Entry DOI: 10.7270/Q2SQ94GB
					More data for this Ligand-Target Pair
1-acyl-sn-glycerol-3-phosphate acyltransferase beta (Homo sapiens (Human))	BDBM50141287 (5TT4A4MBLR | CHEMBL36501 | CT 32228 | CT-32228 | H...) Show SMILES Cc1ccc(Cl)cc1-c1nc(N)nc(Nc2ccc(Br)cc2)n1 Show InChI InChI=1S/C16H13BrClN5/c1-9-2-5-11(18)8-13(9)14-21-15(19)23-16(22-14)20-12-6-3-10(17)4-7-12/h2-8H,1H3,(H3,19,20,21,22,23)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114645 BindingDB Entry DOI: 10.7270/Q2SQ94GB
					More data for this Ligand-Target Pair
1-acyl-sn-glycerol-3-phosphate acyltransferase beta (Homo sapiens (Human))	BDBM50172949 (6-(5-Chloro-2-ethoxy-phenyl)-N-(4-chloro-phenyl)-[...) Show SMILES CCOc1ccc(Cl)cc1-c1nc(N)nc(Nc2ccc(Cl)cc2)n1 Show InChI InChI=1S/C17H15Cl2N5O/c1-2-25-14-8-5-11(19)9-13(14)15-22-16(20)24-17(23-15)21-12-6-3-10(18)4-7-12/h3-9H,2H2,1H3,(H3,20,21,22,23,24)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114645 BindingDB Entry DOI: 10.7270/Q2SQ94GB
					More data for this Ligand-Target Pair
Cyclic GMP-AMP synthase (Homo sapiens)	BDBM50582696 (CHEMBL5076595) Show SMILES COC(=O)c1nc(N)nc(Nc2cc(F)c(I)c(F)c2)n1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114645 BindingDB Entry DOI: 10.7270/Q2SQ94GB
					More data for this Ligand-Target Pair
Equilibrative nucleoside transporter 2 (Homo sapiens (Human))	BDBM56941 (6-[[4-(4-fluorophenyl)-1-piperazinyl]methyl]-N2-(3...) Show SMILES Cc1cccc(Nc2nc(N)nc(CN3CCN(CC3)c3ccc(F)cc3)n2)c1 Show InChI InChI=1S/C21H24FN7/c1-15-3-2-4-17(13-15)24-21-26-19(25-20(23)27-21)14-28-9-11-29(12-10-28)18-7-5-16(22)6-8-18/h2-8,13H,9-12,14H2,1H3,(H3,23,24,25,26,27)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	570	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114645 BindingDB Entry DOI: 10.7270/Q2SQ94GB
					More data for this Ligand-Target Pair
NADPH oxidase 5 (Homo sapiens (Human))	BDBM50606914 (CHEMBL5218591) Show SMILES Cc1ccc(cc1)N1CCN(CC1)c1nc(N)nc(Nc2ccc(C)c(C)c2)n1 Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	570	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114645 BindingDB Entry DOI: 10.7270/Q2SQ94GB
					More data for this Ligand-Target Pair
Equilibrative nucleoside transporter 1 (Homo sapiens (Human))	BDBM50606919 (CHEMBL5219347) Show SMILES COc1ccc(Nc2nc(N)nc(CN3CCN(CC3)c3ccccc3F)n2)cc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	590	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114645 BindingDB Entry DOI: 10.7270/Q2SQ94GB
					More data for this Ligand-Target Pair
NADPH oxidase 4 (Homo sapiens (Human))	BDBM50606914 (CHEMBL5218591) Show SMILES Cc1ccc(cc1)N1CCN(CC1)c1nc(N)nc(Nc2ccc(C)c(C)c2)n1 Show InChI	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	680	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114645 BindingDB Entry DOI: 10.7270/Q2SQ94GB
					More data for this Ligand-Target Pair
NADPH oxidase 3 (Homo sapiens)	BDBM318936 (US10173988, Compound A) Show SMILES COc1cccc(c1)N1CCN(Cc2nc(N)nc(Nc3ccc(C)c(C)c3)n2)CC1 Show InChI InChI=1S/C23H29N7O/c1-16-7-8-18(13-17(16)2)25-23-27-21(26-22(24)28-23)15-29-9-11-30(12-10-29)19-5-4-6-20(14-19)31-3/h4-8,13-14H,9-12,15H2,1-3H3,(H3,24,25,26,27,28)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.25E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114645 BindingDB Entry DOI: 10.7270/Q2SQ94GB
					More data for this Ligand-Target Pair
Cytochrome b-245 heavy chain (Homo sapiens (Human))	BDBM318936 (US10173988, Compound A) Show SMILES COc1cccc(c1)N1CCN(Cc2nc(N)nc(Nc3ccc(C)c(C)c3)n2)CC1 Show InChI InChI=1S/C23H29N7O/c1-16-7-8-18(13-17(16)2)25-23-27-21(26-22(24)28-23)15-29-9-11-30(12-10-29)19-5-4-6-20(14-19)31-3/h4-8,13-14H,9-12,15H2,1-3H3,(H3,24,25,26,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.25E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114645 BindingDB Entry DOI: 10.7270/Q2SQ94GB
					More data for this Ligand-Target Pair
Equilibrative nucleoside transporter 2 (Homo sapiens (Human))	BDBM50606918 (CHEMBL5219061) Show SMILES Nc1nc(CN2CCN(CC2)c2ccccc2F)nc(Nc2cccc3ccccc23)n1 Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.69E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114645 BindingDB Entry DOI: 10.7270/Q2SQ94GB
					More data for this Ligand-Target Pair
Equilibrative nucleoside transporter 1 (Homo sapiens (Human))	BDBM56941 (6-[[4-(4-fluorophenyl)-1-piperazinyl]methyl]-N2-(3...) Show SMILES Cc1cccc(Nc2nc(N)nc(CN3CCN(CC3)c3ccc(F)cc3)n2)c1 Show InChI InChI=1S/C21H24FN7/c1-15-3-2-4-17(13-15)24-21-26-19(25-20(23)27-21)14-28-9-11-29(12-10-28)18-7-5-16(22)6-8-18/h2-8,13H,9-12,14H2,1H3,(H3,23,24,25,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.38E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114645 BindingDB Entry DOI: 10.7270/Q2SQ94GB
					More data for this Ligand-Target Pair
NADPH oxidase 3 (Homo sapiens)	BDBM50606914 (CHEMBL5218591) Show SMILES Cc1ccc(cc1)N1CCN(CC1)c1nc(N)nc(Nc2ccc(C)c(C)c2)n1 Show InChI	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114645 BindingDB Entry DOI: 10.7270/Q2SQ94GB
					More data for this Ligand-Target Pair
Equilibrative nucleoside transporter 2 (Homo sapiens (Human))	BDBM50606918 (CHEMBL5219061) Show SMILES Nc1nc(CN2CCN(CC2)c2ccccc2F)nc(Nc2cccc3ccccc23)n1 Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.36E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114645 BindingDB Entry DOI: 10.7270/Q2SQ94GB
					More data for this Ligand-Target Pair
NADPH oxidase 1 (Homo sapiens (Human))	BDBM50606914 (CHEMBL5218591) Show SMILES Cc1ccc(cc1)N1CCN(CC1)c1nc(N)nc(Nc2ccc(C)c(C)c2)n1 Show InChI	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114645 BindingDB Entry DOI: 10.7270/Q2SQ94GB
					More data for this Ligand-Target Pair
NADPH oxidase 1 (Homo sapiens (Human))	BDBM318936 (US10173988, Compound A) Show SMILES COc1cccc(c1)N1CCN(Cc2nc(N)nc(Nc3ccc(C)c(C)c3)n2)CC1 Show InChI InChI=1S/C23H29N7O/c1-16-7-8-18(13-17(16)2)25-23-27-21(26-22(24)28-23)15-29-9-11-30(12-10-29)19-5-4-6-20(14-19)31-3/h4-8,13-14H,9-12,15H2,1-3H3,(H3,24,25,26,27,28)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114645 BindingDB Entry DOI: 10.7270/Q2SQ94GB
					More data for this Ligand-Target Pair
Cytochrome b-245 heavy chain (Homo sapiens (Human))	BDBM50606914 (CHEMBL5218591) Show SMILES Cc1ccc(cc1)N1CCN(CC1)c1nc(N)nc(Nc2ccc(C)c(C)c2)n1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114645 BindingDB Entry DOI: 10.7270/Q2SQ94GB
					More data for this Ligand-Target Pair
Equilibrative nucleoside transporter 1 (Homo sapiens (Human))	BDBM50606918 (CHEMBL5219061) Show SMILES Nc1nc(CN2CCN(CC2)c2ccccc2F)nc(Nc2cccc3ccccc23)n1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114645 BindingDB Entry DOI: 10.7270/Q2SQ94GB
					More data for this Ligand-Target Pair

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