Compile Data Set for Download or QSAR

Found 100 hits with Last Name = 'nguyen' and Initial = 'hm'   

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
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM275051 (US9878996, Compound 7) Show SMILES Fc1cccc(CCCNCCc2ccnc(n2)-n2ccnc2)c1 Show InChI InChI=1S/C18H20FN5/c19-16-5-1-3-15(13-16)4-2-8-20-9-6-17-7-10-22-18(23-17)24-12-11-21-14-24/h1,3,5,7,10-14,20H,2,4,6,8-9H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB US Patent	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University US Patent					Assay Description Assays were performed at the NIMH Psychoactive Drug Screening Program (PDSP) at UNC-Chapel Hill.				US Patent US9878996 (2018) BindingDB Entry DOI: 10.7270/Q2PN97PN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM275052 (US9878996, Compound 25) Show SMILES Clc1cccc(CCCNCCc2ccnc(n2)-n2ccnc2)c1 Show InChI InChI=1S/C18H20ClN5/c19-16-5-1-3-15(13-16)4-2-8-20-9-6-17-7-10-22-18(23-17)24-12-11-21-14-24/h1,3,5,7,10-14,20H,2,4,6,8-9H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB US Patent	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University US Patent					Assay Description Assays were performed at the NIMH Psychoactive Drug Screening Program (PDSP) at UNC-Chapel Hill.				US Patent US9878996 (2018) BindingDB Entry DOI: 10.7270/Q2PN97PN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM275054 (US9878996, Compound 27) Show SMILES Fc1cccc(CC2CC2NCCc2ccnc(n2)-n2ccnc2)c1 Show InChI InChI=1S/C19H20FN5/c20-16-3-1-2-14(11-16)10-15-12-18(15)22-6-4-17-5-7-23-19(24-17)25-9-8-21-13-25/h1-3,5,7-9,11,13,15,18,22H,4,6,10,12H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB US Patent	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University US Patent					Assay Description Assays were performed at the NIMH Psychoactive Drug Screening Program (PDSP) at UNC-Chapel Hill.				US Patent US9878996 (2018) BindingDB Entry DOI: 10.7270/Q2PN97PN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM275056 (US9878996, Compound 29) Show SMILES C(CNCCc1ccnc(n1)-n1ccnc1)Cc1cccnc1 Show InChI InChI=1S/C17H20N6/c1(3-15-4-2-8-19-13-15)7-18-9-5-16-6-10-21-17(22-16)23-12-11-20-14-23/h2,4,6,8,10-14,18H,1,3,5,7,9H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB US Patent	54	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University US Patent					Assay Description Assays were performed at the NIMH Psychoactive Drug Screening Program (PDSP) at UNC-Chapel Hill.				US Patent US9878996 (2018) BindingDB Entry DOI: 10.7270/Q2PN97PN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM275053 (US9878996, Compound 26) Show SMILES Fc1cccc(c1)C1CC1CNCCc1ccnc(n1)-n1ccnc1 Show InChI InChI=1S/C19H20FN5/c20-16-3-1-2-14(10-16)18-11-15(18)12-21-6-4-17-5-7-23-19(24-17)25-9-8-22-13-25/h1-3,5,7-10,13,15,18,21H,4,6,11-12H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB US Patent	56	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University US Patent					Assay Description Assays were performed at the NIMH Psychoactive Drug Screening Program (PDSP) at UNC-Chapel Hill.				US Patent US9878996 (2018) BindingDB Entry DOI: 10.7270/Q2PN97PN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nitric oxide synthase, brain (Homo sapiens (Human))	BDBM275052 (US9878996, Compound 25) Show SMILES Clc1cccc(CCCNCCc2ccnc(n2)-n2ccnc2)c1 Show InChI InChI=1S/C18H20ClN5/c19-16-5-1-3-15(13-16)4-2-8-20-9-6-17-7-10-22-18(23-17)24-12-11-21-14-24/h1,3,5,7,10-14,20H,2,4,6,8-9H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB US Patent	125	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University US Patent					Assay Description Assays were performed at the NIMH Psychoactive Drug Screening Program (PDSP) at UNC-Chapel Hill.				US Patent US9878996 (2018) BindingDB Entry DOI: 10.7270/Q2PN97PN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nitric oxide synthase, brain (Homo sapiens (Human))	BDBM275056 (US9878996, Compound 29) Show SMILES C(CNCCc1ccnc(n1)-n1ccnc1)Cc1cccnc1 Show InChI InChI=1S/C17H20N6/c1(3-15-4-2-8-19-13-15)7-18-9-5-16-6-10-21-17(22-16)23-12-11-20-14-23/h2,4,6,8,10-14,18H,1,3,5,7,9H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB US Patent	125	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University US Patent					Assay Description Assays were performed at the NIMH Psychoactive Drug Screening Program (PDSP) at UNC-Chapel Hill.				US Patent US9878996 (2018) BindingDB Entry DOI: 10.7270/Q2PN97PN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nitric oxide synthase, brain (Homo sapiens (Human))	BDBM275055 (US9878996, Compound 28) Show SMILES [C-]#[N+]c1cccc(CNCCc2ccnc(n2)-n2ccnc2)c1 Show InChI InChI=1S/C17H16N6/c1-18-16-4-2-3-14(11-16)12-19-7-5-15-6-8-21-17(22-15)23-10-9-20-13-23/h2-4,6,8-11,13,19H,5,7,12H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	138	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University US Patent					Assay Description Assays were performed at the NIMH Psychoactive Drug Screening Program (PDSP) at UNC-Chapel Hill.				US Patent US9878996 (2018) BindingDB Entry DOI: 10.7270/Q2PN97PN
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM275050 (US9878996, Compound 6) Show SMILES Fc1cccc(CCNCCc2ccnc(n2)-n2ccnc2)c1 Show InChI InChI=1S/C17H18FN5/c18-15-3-1-2-14(12-15)4-7-19-8-5-16-6-9-21-17(22-16)23-11-10-20-13-23/h1-3,6,9-13,19H,4-5,7-8H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB US Patent	138	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University US Patent					Assay Description Assays were performed at the NIMH Psychoactive Drug Screening Program (PDSP) at UNC-Chapel Hill.				US Patent US9878996 (2018) BindingDB Entry DOI: 10.7270/Q2PN97PN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM275055 (US9878996, Compound 28) Show SMILES [C-]#[N+]c1cccc(CNCCc2ccnc(n2)-n2ccnc2)c1 Show InChI InChI=1S/C17H16N6/c1-18-16-4-2-3-14(11-16)12-19-7-5-15-6-8-21-17(22-15)23-10-9-20-13-23/h2-4,6,8-11,13,19H,5,7,12H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	183	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University US Patent					Assay Description Assays were performed at the NIMH Psychoactive Drug Screening Program (PDSP) at UNC-Chapel Hill.				US Patent US9878996 (2018) BindingDB Entry DOI: 10.7270/Q2PN97PN
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Homo sapiens (Human))	BDBM275051 (US9878996, Compound 7) Show SMILES Fc1cccc(CCCNCCc2ccnc(n2)-n2ccnc2)c1 Show InChI InChI=1S/C18H20FN5/c19-16-5-1-3-15(13-16)4-2-8-20-9-6-17-7-10-22-18(23-17)24-12-11-21-14-24/h1,3,5,7,10-14,20H,2,4,6,8-9H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB US Patent	193	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University US Patent					Assay Description Assays were performed at the NIMH Psychoactive Drug Screening Program (PDSP) at UNC-Chapel Hill.				US Patent US9878996 (2018) BindingDB Entry DOI: 10.7270/Q2PN97PN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nitric oxide synthase, brain (Homo sapiens (Human))	BDBM275054 (US9878996, Compound 27) Show SMILES Fc1cccc(CC2CC2NCCc2ccnc(n2)-n2ccnc2)c1 Show InChI InChI=1S/C19H20FN5/c20-16-3-1-2-14(11-16)10-15-12-18(15)22-6-4-17-5-7-23-19(24-17)25-9-8-21-13-25/h1-3,5,7-9,11,13,15,18,22H,4,6,10,12H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB US Patent	358	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University US Patent					Assay Description Assays were performed at the NIMH Psychoactive Drug Screening Program (PDSP) at UNC-Chapel Hill.				US Patent US9878996 (2018) BindingDB Entry DOI: 10.7270/Q2PN97PN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nitric oxide synthase, brain (Homo sapiens (Human))	BDBM275053 (US9878996, Compound 26) Show SMILES Fc1cccc(c1)C1CC1CNCCc1ccnc(n1)-n1ccnc1 Show InChI InChI=1S/C19H20FN5/c20-16-3-1-2-14(10-16)18-11-15(18)12-21-6-4-17-5-7-23-19(24-17)25-9-8-22-13-25/h1-3,5,7-10,13,15,18,21H,4,6,11-12H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB US Patent	359	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University US Patent					Assay Description Assays were performed at the NIMH Psychoactive Drug Screening Program (PDSP) at UNC-Chapel Hill.				US Patent US9878996 (2018) BindingDB Entry DOI: 10.7270/Q2PN97PN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM275046 (US9878996, Compound 3) Show SMILES Fc1cccc(CCNCCNc2ccnc(n2)-n2ccnc2)c1 Show InChI InChI=1S/C17H19FN6/c18-15-3-1-2-14(12-15)4-6-19-8-9-21-16-5-7-22-17(23-16)24-11-10-20-13-24/h1-3,5,7,10-13,19H,4,6,8-9H2,(H,21,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB US Patent	370	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University US Patent					Assay Description Assays were performed at the NIMH Psychoactive Drug Screening Program (PDSP) at UNC-Chapel Hill.				US Patent US9878996 (2018) BindingDB Entry DOI: 10.7270/Q2PN97PN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM275058 (US9878996, Compound 31) Show SMILES Cc1cn(cn1)-c1nccc(CCNCCCc2cccc(F)c2)n1 Show InChI InChI=1S/C19H22FN5/c1-15-13-25(14-23-15)19-22-11-8-18(24-19)7-10-21-9-3-5-16-4-2-6-17(20)12-16/h2,4,6,8,11-14,21H,3,5,7,9-10H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	667	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University US Patent					Assay Description Assays were performed at the NIMH Psychoactive Drug Screening Program (PDSP) at UNC-Chapel Hill.				US Patent US9878996 (2018) BindingDB Entry DOI: 10.7270/Q2PN97PN
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Homo sapiens (Human))	BDBM275050 (US9878996, Compound 6) Show SMILES Fc1cccc(CCNCCc2ccnc(n2)-n2ccnc2)c1 Show InChI InChI=1S/C17H18FN5/c18-15-3-1-2-14(12-15)4-7-19-8-5-16-6-9-21-17(22-16)23-11-10-20-13-23/h1-3,6,9-13,19H,4-5,7-8H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB US Patent	758	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University US Patent					Assay Description Assays were performed at the NIMH Psychoactive Drug Screening Program (PDSP) at UNC-Chapel Hill.				US Patent US9878996 (2018) BindingDB Entry DOI: 10.7270/Q2PN97PN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM275051 (US9878996, Compound 7) Show SMILES Fc1cccc(CCCNCCc2ccnc(n2)-n2ccnc2)c1 Show InChI InChI=1S/C18H20FN5/c19-16-5-1-3-15(13-16)4-2-8-20-9-6-17-7-10-22-18(23-17)24-12-11-21-14-24/h1,3,5,7,10-14,20H,2,4,6,8-9H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	US Patent	770	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University US Patent					Assay Description Assays were performed at the NIMH Psychoactive Drug Screening Program (PDSP) at UNC-Chapel Hill.				US Patent US9878996 (2018) BindingDB Entry DOI: 10.7270/Q2PN97PN
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM275050 (US9878996, Compound 6) Show SMILES Fc1cccc(CCNCCc2ccnc(n2)-n2ccnc2)c1 Show InChI InChI=1S/C17H18FN5/c18-15-3-1-2-14(12-15)4-7-19-8-5-16-6-9-21-17(22-16)23-11-10-20-13-23/h1-3,6,9-13,19H,4-5,7-8H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	US Patent	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University US Patent					Assay Description Assays were performed at the NIMH Psychoactive Drug Screening Program (PDSP) at UNC-Chapel Hill.				US Patent US9878996 (2018) BindingDB Entry DOI: 10.7270/Q2PN97PN
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM275056 (US9878996, Compound 29) Show SMILES C(CNCCc1ccnc(n1)-n1ccnc1)Cc1cccnc1 Show InChI InChI=1S/C17H20N6/c1(3-15-4-2-8-19-13-15)7-18-9-5-16-6-10-21-17(22-16)23-12-11-20-14-23/h2,4,6,8,10-14,18H,1,3,5,7,9H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	US Patent	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University US Patent					Assay Description Assays were performed at the NIMH Psychoactive Drug Screening Program (PDSP) at UNC-Chapel Hill.				US Patent US9878996 (2018) BindingDB Entry DOI: 10.7270/Q2PN97PN
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM275053 (US9878996, Compound 26) Show SMILES Fc1cccc(c1)C1CC1CNCCc1ccnc(n1)-n1ccnc1 Show InChI InChI=1S/C19H20FN5/c20-16-3-1-2-14(10-16)18-11-15(18)12-21-6-4-17-5-7-23-19(24-17)25-9-8-22-13-25/h1-3,5,7-10,13,15,18,21H,4,6,11-12H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	US Patent	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University US Patent					Assay Description Assays were performed at the NIMH Psychoactive Drug Screening Program (PDSP) at UNC-Chapel Hill.				US Patent US9878996 (2018) BindingDB Entry DOI: 10.7270/Q2PN97PN
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM275052 (US9878996, Compound 25) Show SMILES Clc1cccc(CCCNCCc2ccnc(n2)-n2ccnc2)c1 Show InChI InChI=1S/C18H20ClN5/c19-16-5-1-3-15(13-16)4-2-8-20-9-6-17-7-10-22-18(23-17)24-12-11-21-14-24/h1,3,5,7,10-14,20H,2,4,6,8-9H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	US Patent	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University US Patent					Assay Description Assays were performed at the NIMH Psychoactive Drug Screening Program (PDSP) at UNC-Chapel Hill.				US Patent US9878996 (2018) BindingDB Entry DOI: 10.7270/Q2PN97PN
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM275049 (US9878996, Compound 5) Show SMILES Fc1cccc(CCCNCc2ccnc(n2)-n2ccnc2)c1 Show InChI InChI=1S/C17H18FN5/c18-15-5-1-3-14(11-15)4-2-7-19-12-16-6-8-21-17(22-16)23-10-9-20-13-23/h1,3,5-6,8-11,13,19H,2,4,7,12H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB US Patent	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University US Patent					Assay Description Assays were performed at the NIMH Psychoactive Drug Screening Program (PDSP) at UNC-Chapel Hill.				US Patent US9878996 (2018) BindingDB Entry DOI: 10.7270/Q2PN97PN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM275054 (US9878996, Compound 27) Show SMILES Fc1cccc(CC2CC2NCCc2ccnc(n2)-n2ccnc2)c1 Show InChI InChI=1S/C19H20FN5/c20-16-3-1-2-14(11-16)10-15-12-18(15)22-6-4-17-5-7-23-19(24-17)25-9-8-21-13-25/h1-3,5,7-9,11,13,15,18,22H,4,6,10,12H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	US Patent	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University US Patent					Assay Description Assays were performed at the NIMH Psychoactive Drug Screening Program (PDSP) at UNC-Chapel Hill.				US Patent US9878996 (2018) BindingDB Entry DOI: 10.7270/Q2PN97PN
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM275055 (US9878996, Compound 28) Show SMILES [C-]#[N+]c1cccc(CNCCc2ccnc(n2)-n2ccnc2)c1 Show InChI InChI=1S/C17H16N6/c1-18-16-4-2-3-14(11-16)12-19-7-5-15-6-8-21-17(22-15)23-10-9-20-13-23/h2-4,6,8-11,13,19H,5,7,12H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University US Patent					Assay Description Assays were performed at the NIMH Psychoactive Drug Screening Program (PDSP) at UNC-Chapel Hill.				US Patent US9878996 (2018) BindingDB Entry DOI: 10.7270/Q2PN97PN
					More data for this Ligand-Target Pair
Nitric oxide synthase, endothelial (Homo sapiens (Human))	BDBM275050 (US9878996, Compound 6) Show SMILES Fc1cccc(CCNCCc2ccnc(n2)-n2ccnc2)c1 Show InChI InChI=1S/C17H18FN5/c18-15-3-1-2-14(12-15)4-7-19-8-5-16-6-9-21-17(22-16)23-11-10-20-13-23/h1-3,6,9-13,19H,4-5,7-8H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB US Patent	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University US Patent					Assay Description Assays were performed at the NIMH Psychoactive Drug Screening Program (PDSP) at UNC-Chapel Hill.				US Patent US9878996 (2018) BindingDB Entry DOI: 10.7270/Q2PN97PN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nitric oxide synthase, endothelial (Homo sapiens (Human))	BDBM275053 (US9878996, Compound 26) Show SMILES Fc1cccc(c1)C1CC1CNCCc1ccnc(n1)-n1ccnc1 Show InChI InChI=1S/C19H20FN5/c20-16-3-1-2-14(10-16)18-11-15(18)12-21-6-4-17-5-7-23-19(24-17)25-9-8-22-13-25/h1-3,5,7-10,13,15,18,21H,4,6,11-12H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB US Patent	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University US Patent					Assay Description Assays were performed at the NIMH Psychoactive Drug Screening Program (PDSP) at UNC-Chapel Hill.				US Patent US9878996 (2018) BindingDB Entry DOI: 10.7270/Q2PN97PN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nitric oxide synthase, brain (Homo sapiens (Human))	BDBM275058 (US9878996, Compound 31) Show SMILES Cc1cn(cn1)-c1nccc(CCNCCCc2cccc(F)c2)n1 Show InChI InChI=1S/C19H22FN5/c1-15-13-25(14-23-15)19-22-11-8-18(24-19)7-10-21-9-3-5-16-4-2-6-17(20)12-16/h2,4,6,8,11-14,21H,3,5,7,9-10H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	4.49E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University US Patent					Assay Description Assays were performed at the NIMH Psychoactive Drug Screening Program (PDSP) at UNC-Chapel Hill.				US Patent US9878996 (2018) BindingDB Entry DOI: 10.7270/Q2PN97PN
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM50070068 (CHEMBL3407805 | US9878996, Compound 2) Show SMILES Fc1cccc(CCN2CCN(CC2)c2ccnc(n2)-n2ccnc2)c1 Show InChI InChI=1S/C19H21FN6/c20-17-3-1-2-16(14-17)5-8-24-10-12-25(13-11-24)18-4-6-22-19(23-18)26-9-7-21-15-26/h1-4,6-7,9,14-15H,5,8,10-13H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	4.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University US Patent					Assay Description Assays were performed at the NIMH Psychoactive Drug Screening Program (PDSP) at UNC-Chapel Hill.				US Patent US9878996 (2018) BindingDB Entry DOI: 10.7270/Q2PN97PN
					More data for this Ligand-Target Pair
Nitric oxide synthase, endothelial (Homo sapiens (Human))	BDBM275051 (US9878996, Compound 7) Show SMILES Fc1cccc(CCCNCCc2ccnc(n2)-n2ccnc2)c1 Show InChI InChI=1S/C18H20FN5/c19-16-5-1-3-15(13-16)4-2-8-20-9-6-17-7-10-22-18(23-17)24-12-11-21-14-24/h1,3,5,7,10-14,20H,2,4,6,8-9H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB US Patent	4.95E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University US Patent					Assay Description Assays were performed at the NIMH Psychoactive Drug Screening Program (PDSP) at UNC-Chapel Hill.				US Patent US9878996 (2018) BindingDB Entry DOI: 10.7270/Q2PN97PN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM275059 (US9878996, Compound 48) Show SMILES Fc1cccc(CCNCCc2cncc(c2)-n2ccnc2)c1 Show InChI InChI=1S/C18H19FN4/c19-17-3-1-2-15(10-17)4-6-20-7-5-16-11-18(13-22-12-16)23-9-8-21-14-23/h1-3,8-14,20H,4-7H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	5.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University US Patent					Assay Description Assays were performed at the NIMH Psychoactive Drug Screening Program (PDSP) at UNC-Chapel Hill.				US Patent US9878996 (2018) BindingDB Entry DOI: 10.7270/Q2PN97PN
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM275046 (US9878996, Compound 3) Show SMILES Fc1cccc(CCNCCNc2ccnc(n2)-n2ccnc2)c1 Show InChI InChI=1S/C17H19FN6/c18-15-3-1-2-14(12-15)4-6-19-8-9-21-16-5-7-22-17(23-16)24-11-10-20-13-24/h1-3,5,7,10-13,19H,4,6,8-9H2,(H,21,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	US Patent	6.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University US Patent					Assay Description Assays were performed at the NIMH Psychoactive Drug Screening Program (PDSP) at UNC-Chapel Hill.				US Patent US9878996 (2018) BindingDB Entry DOI: 10.7270/Q2PN97PN
					More data for this Ligand-Target Pair
Nitric oxide synthase, endothelial (Homo sapiens (Human))	BDBM275052 (US9878996, Compound 25) Show SMILES Clc1cccc(CCCNCCc2ccnc(n2)-n2ccnc2)c1 Show InChI InChI=1S/C18H20ClN5/c19-16-5-1-3-15(13-16)4-2-8-20-9-6-17-7-10-22-18(23-17)24-12-11-21-14-24/h1,3,5,7,10-14,20H,2,4,6,8-9H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB US Patent	8.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University US Patent					Assay Description Assays were performed at the NIMH Psychoactive Drug Screening Program (PDSP) at UNC-Chapel Hill.				US Patent US9878996 (2018) BindingDB Entry DOI: 10.7270/Q2PN97PN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM275048 (US9878996, Compound 4) Show SMILES Fc1cccc(CCNCc2ccnc(n2)-n2ccnc2)c1 Show InChI InChI=1S/C16H16FN5/c17-14-3-1-2-13(10-14)4-6-18-11-15-5-7-20-16(21-15)22-9-8-19-12-22/h1-3,5,7-10,12,18H,4,6,11H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	8.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University US Patent					Assay Description Assays were performed at the NIMH Psychoactive Drug Screening Program (PDSP) at UNC-Chapel Hill.				US Patent US9878996 (2018) BindingDB Entry DOI: 10.7270/Q2PN97PN
					More data for this Ligand-Target Pair
Nitric oxide synthase, endothelial (Homo sapiens (Human))	BDBM275055 (US9878996, Compound 28) Show SMILES [C-]#[N+]c1cccc(CNCCc2ccnc(n2)-n2ccnc2)c1 Show InChI InChI=1S/C17H16N6/c1-18-16-4-2-3-14(11-16)12-19-7-5-15-6-8-21-17(22-15)23-10-9-20-13-23/h2-4,6,8-11,13,19H,5,7,12H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.05E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University US Patent					Assay Description Assays were performed at the NIMH Psychoactive Drug Screening Program (PDSP) at UNC-Chapel Hill.				US Patent US9878996 (2018) BindingDB Entry DOI: 10.7270/Q2PN97PN
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM275049 (US9878996, Compound 5) Show SMILES Fc1cccc(CCCNCc2ccnc(n2)-n2ccnc2)c1 Show InChI InChI=1S/C17H18FN5/c18-15-5-1-3-14(11-15)4-2-7-19-12-16-6-8-21-17(22-16)23-10-9-20-13-23/h1,3,5-6,8-11,13,19H,2,4,7,12H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	US Patent	1.05E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University US Patent					Assay Description Assays were performed at the NIMH Psychoactive Drug Screening Program (PDSP) at UNC-Chapel Hill.				US Patent US9878996 (2018) BindingDB Entry DOI: 10.7270/Q2PN97PN
					More data for this Ligand-Target Pair
Nitric oxide synthase, endothelial (Homo sapiens (Human))	BDBM275056 (US9878996, Compound 29) Show SMILES C(CNCCc1ccnc(n1)-n1ccnc1)Cc1cccnc1 Show InChI InChI=1S/C17H20N6/c1(3-15-4-2-8-19-13-15)7-18-9-5-16-6-10-21-17(22-16)23-12-11-20-14-23/h2,4,6,8,10-14,18H,1,3,5,7,9H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	US Patent	1.09E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University US Patent					Assay Description Assays were performed at the NIMH Psychoactive Drug Screening Program (PDSP) at UNC-Chapel Hill.				US Patent US9878996 (2018) BindingDB Entry DOI: 10.7270/Q2PN97PN
					More data for this Ligand-Target Pair
Nitric oxide synthase, endothelial (Homo sapiens (Human))	BDBM275054 (US9878996, Compound 27) Show SMILES Fc1cccc(CC2CC2NCCc2ccnc(n2)-n2ccnc2)c1 Show InChI InChI=1S/C19H20FN5/c20-16-3-1-2-14(11-16)10-15-12-18(15)22-6-4-17-5-7-23-19(24-17)25-9-8-21-13-25/h1-3,5,7-9,11,13,15,18,22H,4,6,10,12H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	US Patent	1.45E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University US Patent					Assay Description Assays were performed at the NIMH Psychoactive Drug Screening Program (PDSP) at UNC-Chapel Hill.				US Patent US9878996 (2018) BindingDB Entry DOI: 10.7270/Q2PN97PN
					More data for this Ligand-Target Pair
Nitric oxide synthase, endothelial (Homo sapiens (Human))	BDBM275046 (US9878996, Compound 3) Show SMILES Fc1cccc(CCNCCNc2ccnc(n2)-n2ccnc2)c1 Show InChI InChI=1S/C17H19FN6/c18-15-3-1-2-14(12-15)4-6-19-8-9-21-16-5-7-22-17(23-16)24-11-10-20-13-24/h1-3,5,7,10-13,19H,4,6,8-9H2,(H,21,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB US Patent	4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University US Patent					Assay Description Assays were performed at the NIMH Psychoactive Drug Screening Program (PDSP) at UNC-Chapel Hill.				US Patent US9878996 (2018) BindingDB Entry DOI: 10.7270/Q2PN97PN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM275057 (US9878996, Compound 30) Show SMILES Fc1cccc(CCCNCCc2ccnc(n2)-n2ccnn2)c1 Show InChI InChI=1S/C17H19FN6/c18-15-5-1-3-14(13-15)4-2-8-19-9-6-16-7-10-20-17(22-16)24-12-11-21-23-24/h1,3,5,7,10-13,19H,2,4,6,8-9H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	6.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University US Patent					Assay Description Assays were performed at the NIMH Psychoactive Drug Screening Program (PDSP) at UNC-Chapel Hill.				US Patent US9878996 (2018) BindingDB Entry DOI: 10.7270/Q2PN97PN
					More data for this Ligand-Target Pair
Nitric oxide synthase, endothelial (Homo sapiens (Human))	BDBM275049 (US9878996, Compound 5) Show SMILES Fc1cccc(CCCNCc2ccnc(n2)-n2ccnc2)c1 Show InChI InChI=1S/C17H18FN5/c18-15-5-1-3-14(11-15)4-2-7-19-12-16-6-8-21-17(22-16)23-10-9-20-13-23/h1,3,5-6,8-11,13,19H,2,4,7,12H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	US Patent	9.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University US Patent					Assay Description Assays were performed at the NIMH Psychoactive Drug Screening Program (PDSP) at UNC-Chapel Hill.				US Patent US9878996 (2018) BindingDB Entry DOI: 10.7270/Q2PN97PN
					More data for this Ligand-Target Pair
Nitric oxide synthase, endothelial (Homo sapiens (Human))	BDBM275058 (US9878996, Compound 31) Show SMILES Cc1cn(cn1)-c1nccc(CCNCCCc2cccc(F)c2)n1 Show InChI InChI=1S/C19H22FN5/c1-15-13-25(14-23-15)19-22-11-8-18(24-19)7-10-21-9-3-5-16-4-2-6-17(20)12-16/h2,4,6,8,11-14,21H,3,5,7,9-10H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.71E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University US Patent					Assay Description Assays were performed at the NIMH Psychoactive Drug Screening Program (PDSP) at UNC-Chapel Hill.				US Patent US9878996 (2018) BindingDB Entry DOI: 10.7270/Q2PN97PN
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM275058 (US9878996, Compound 31) Show SMILES Cc1cn(cn1)-c1nccc(CCNCCCc2cccc(F)c2)n1 Show InChI InChI=1S/C19H22FN5/c1-15-13-25(14-23-15)19-22-11-8-18(24-19)7-10-21-9-3-5-16-4-2-6-17(20)12-16/h2,4,6,8,11-14,21H,3,5,7,9-10H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.87E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University US Patent					Assay Description Assays were performed at the NIMH Psychoactive Drug Screening Program (PDSP) at UNC-Chapel Hill.				US Patent US9878996 (2018) BindingDB Entry DOI: 10.7270/Q2PN97PN
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50511579 (CHEBI:61033 | Fondaparinux) Show SMILES CO[C@H]1O[C@H](COS(O)(=O)=O)[C@@H](O[C@@H]2O[C@H]([C@@H](O[C@H]3O[C@H](COS(O)(=O)=O)[C@@H](O[C@@H]4O[C@@H]([C@@H](O[C@H]5O[C@H](COS(O)(=O)=O)[C@@H](O)[C@H](O)[C@H]5NS(O)(=O)=O)[C@H](O)[C@H]4O)C(O)=O)[C@H](OS(O)(=O)=O)[C@H]3NS(O)(=O)=O)[C@H](O)[C@H]2OS(O)(=O)=O)C(O)=O)[C@H](O)[C@H]1NS(O)(=O)=O Show InChI InChI=1S/C31H53N3O49S8/c1-69-27-9(33-85(48,49)50)13(37)17(6(74-27)3-71-88(57,58)59)76-31-22(83-91(66,67)68)16(40)21(24(81-31)26(43)44)79-29-10(34-86(51,52)53)19(82-90(63,64)65)18(7(75-29)4-72-89(60,61)62)77-30-15(39)14(38)20(23(80-30)25(41)42)78-28-8(32-84(45,46)47)12(36)11(35)5(73-28)2-70-87(54,55)56/h5-24,27-40H,2-4H2,1H3,(H,41,42)(H,43,44)(H,45,46,47)(H,48,49,50)(H,51,52,53)(H,54,55,56)(H,57,58,59)(H,60,61,62)(H,63,64,65)(H,66,67,68)/t5-,6-,7-,8-,9-,10-,11-,12-,13-,14-,15-,16+,17-,18-,19-,20+,21+,22-,23+,24-,27+,28-,29-,30-,31-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Inhibition of coagulation factor 10a (unknown origin) incubated for 2 mins in presence of AT3 by chromogenic substrate based fluorescence assay				J Med Chem 63: 4227-4255 (2020) Article DOI: 10.1021/acs.jmedchem.0c00156 BindingDB Entry DOI: 10.7270/Q2SN0D99
					More data for this Ligand-Target Pair
Heparanase (Homo sapiens (Human))	BDBM50511576 (CHEMBL4537045) Show SMILES [Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[H][C@]1([#8]-[#6@H]-2-[#6@H](-[#8])-[#6@@H](-[#8])-[#6@H](-[#8][C@@]3([H])[#6@H](-[#8])-[#6@@H](-[#7]S([#8-])(=O)=O)-[#6@@H](-[#8]-[#6]-[#6]-[#7]S([#8-])(=O)=O)-[#8]-[#6@@H]3-[#6]-[#8]S([#8-])(=O)=O)-[#8]-[#6@@H]-2-[#6](-[#8-])=O)[#8]-[#6@H](-[#6]-[#8]S([#8-])(=O)=O)-[#6@@H](-[#8])-[#6@H](-[#8])-[#6@H]1-[#7]S([#8-])(=O)=O |r| Show InChI InChI=1S/C20H37N3O30S5.6Na/c24-9-5(3-47-57(40,41)42)49-19(7(10(9)25)22-55(34,35)36)52-15-12(27)13(28)20(53-16(15)17(29)30)51-14-6(4-48-58(43,44)45)50-18(46-2-1-21-54(31,32)33)8(11(14)26)23-56(37,38)39;;;;;;/h5-16,18-28H,1-4H2,(H,29,30)(H,31,32,33)(H,34,35,36)(H,37,38,39)(H,40,41,42)(H,43,44,45);;;;;;/q;6*+1/p-6/t5-,6-,7-,8-,9-,10-,11-,12-,13-,14-,15+,16+,18+,19-,20-;;;;;;/m1....../s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	393	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Inhibition of heparanase (unknown origin) using biotin-heparan sulfate-Eu cryptate as substrate preincubated for 10 mins followed by substrate additi...				J Med Chem 63: 4227-4255 (2020) Article DOI: 10.1021/acs.jmedchem.0c00156 BindingDB Entry DOI: 10.7270/Q2SN0D99
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50511576 (CHEMBL4537045) Show SMILES [Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[H][C@]1([#8]-[#6@H]-2-[#6@H](-[#8])-[#6@@H](-[#8])-[#6@H](-[#8][C@@]3([H])[#6@H](-[#8])-[#6@@H](-[#7]S([#8-])(=O)=O)-[#6@@H](-[#8]-[#6]-[#6]-[#7]S([#8-])(=O)=O)-[#8]-[#6@@H]3-[#6]-[#8]S([#8-])(=O)=O)-[#8]-[#6@@H]-2-[#6](-[#8-])=O)[#8]-[#6@H](-[#6]-[#8]S([#8-])(=O)=O)-[#6@@H](-[#8])-[#6@H](-[#8])-[#6@H]1-[#7]S([#8-])(=O)=O |r| Show InChI InChI=1S/C20H37N3O30S5.6Na/c24-9-5(3-47-57(40,41)42)49-19(7(10(9)25)22-55(34,35)36)52-15-12(27)13(28)20(53-16(15)17(29)30)51-14-6(4-48-58(43,44)45)50-18(46-2-1-21-54(31,32)33)8(11(14)26)23-56(37,38)39;;;;;;/h5-16,18-28H,1-4H2,(H,29,30)(H,31,32,33)(H,34,35,36)(H,37,38,39)(H,40,41,42)(H,43,44,45);;;;;;/q;6*+1/p-6/t5-,6-,7-,8-,9-,10-,11-,12-,13-,14-,15+,16+,18+,19-,20-;;;;;;/m1....../s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Inhibition of coagulation factor 2a (unknown origin) incubated for 2 mins in presence of AT3 by chromogenic substrate based fluorescence assay				J Med Chem 63: 4227-4255 (2020) Article DOI: 10.1021/acs.jmedchem.0c00156 BindingDB Entry DOI: 10.7270/Q2SN0D99
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50511576 (CHEMBL4537045) Show SMILES [Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[H][C@]1([#8]-[#6@H]-2-[#6@H](-[#8])-[#6@@H](-[#8])-[#6@H](-[#8][C@@]3([H])[#6@H](-[#8])-[#6@@H](-[#7]S([#8-])(=O)=O)-[#6@@H](-[#8]-[#6]-[#6]-[#7]S([#8-])(=O)=O)-[#8]-[#6@@H]3-[#6]-[#8]S([#8-])(=O)=O)-[#8]-[#6@@H]-2-[#6](-[#8-])=O)[#8]-[#6@H](-[#6]-[#8]S([#8-])(=O)=O)-[#6@@H](-[#8])-[#6@H](-[#8])-[#6@H]1-[#7]S([#8-])(=O)=O |r| Show InChI InChI=1S/C20H37N3O30S5.6Na/c24-9-5(3-47-57(40,41)42)49-19(7(10(9)25)22-55(34,35)36)52-15-12(27)13(28)20(53-16(15)17(29)30)51-14-6(4-48-58(43,44)45)50-18(46-2-1-21-54(31,32)33)8(11(14)26)23-56(37,38)39;;;;;;/h5-16,18-28H,1-4H2,(H,29,30)(H,31,32,33)(H,34,35,36)(H,37,38,39)(H,40,41,42)(H,43,44,45);;;;;;/q;6*+1/p-6/t5-,6-,7-,8-,9-,10-,11-,12-,13-,14-,15+,16+,18+,19-,20-;;;;;;/m1....../s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Inhibition of coagulation factor 10a (unknown origin) incubated for 2 mins in presence of AT3 by chromogenic substrate based fluorescence assay				J Med Chem 63: 4227-4255 (2020) Article DOI: 10.1021/acs.jmedchem.0c00156 BindingDB Entry DOI: 10.7270/Q2SN0D99
					More data for this Ligand-Target Pair
Heparanase (Homo sapiens (Human))	BDBM50511571 (CHEMBL4462283) Show SMILES [Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[H][C@]1([#8]-[#6@H]-2-[#6@H](-[#8])-[#6@@H](-[#8])-[#6@H](-[#8][C@@]3([H])[#6@H](-[#8])-[#6@@H](-[#7]S([#8-])(=O)=O)-[#6@@H](-[#8]-[#6]-[#6]-[#7]S([#8-])(=O)=O)-[#8]-[#6@@H]3-[#6]-[#8]S([#8-])(=O)=O)-[#8]-[#6@@H]-2-[#6](-[#8-])=O)[#8]-[#6@H](-[#6]-[#8])-[#6@@H](-[#8])-[#6@H](-[#8])-[#6@H]1-[#7]S([#8-])(=O)=O |r| Show InChI InChI=1S/C20H37N3O27S4.5Na/c24-3-5-9(25)10(26)7(22-52(35,36)37)19(46-5)49-15-12(28)13(29)20(50-16(15)17(30)31)48-14-6(4-45-54(41,42)43)47-18(44-2-1-21-51(32,33)34)8(11(14)27)23-53(38,39)40;;;;;/h5-16,18-29H,1-4H2,(H,30,31)(H,32,33,34)(H,35,36,37)(H,38,39,40)(H,41,42,43);;;;;/q;5*+1/p-5/t5-,6-,7-,8-,9-,10-,11-,12-,13-,14-,15+,16+,18+,19-,20-;;;;;/m1...../s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.01E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Inhibition of heparanase (unknown origin) using biotin-heparan sulfate-Eu cryptate as substrate preincubated for 10 mins followed by substrate additi...				J Med Chem 63: 4227-4255 (2020) Article DOI: 10.1021/acs.jmedchem.0c00156 BindingDB Entry DOI: 10.7270/Q2SN0D99
					More data for this Ligand-Target Pair
Heparanase (Homo sapiens (Human))	BDBM50511572 (CHEMBL4514370) Show SMILES [Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[H][C@@]1([#8]-[#6@H]-2-[#6@H](-[#8])-[#6@@H](-[#7]S([#8-])(=O)=O)[C@@]([H])([#8]-[#6@H]-3-[#6@H](-[#8])-[#6@@H](-[#8])[C@]([H])([#8]-[#6@H]-4-[#6@H](-[#8])-[#6@@H](-[#7]S([#8-])(=O)=O)[C@@]([H])([#8]-[#6@H]-5-[#6@H](-[#8])-[#6@@H](-[#8]S([#8-])(=O)=O)-[#6@H](-[#8][C@@]6([H])[#6@H](-[#8])-[#6@@H](-[#7]S([#8-])(=O)=O)[C@@]([H])([#8]-[#6@H]-7-[#6@H](-[#8])-[#6@@H](-[#8]S([#8-])(=O)=O)-[#6@H](-[#8][C@@]8([H])[#6@H](-[#8])-[#6@@H](-[#7]S([#8-])(=O)=O)[C@@]([H])([#8]-[#6@H]-9-[#6@H](-[#8])-[#6@@H](-[#8])-[#6@H](-[#8]-c%10ccc(-[#7]-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]=[N+]=[#7-])cc%10)-[#8]-[#6@@H]-9-[#6](-[#8-])=O)[#8]-[#6@@H]8-[#6]-[#8]S([#8-])(=O)=O)-[#8]-[#6@H]-7-[#6](-[#8-])=O)[#8]-[#6@@H]6-[#6]-[#8]S([#8-])(=O)=O)-[#8]-[#6@H]-5-[#6](-[#8-])=O)[#8]-[#6@@H]-4-[#6]-[#8]S([#8-])(=O)=O)[#8]-[#6@@H]-3-[#6](-[#8-])=O)[#8]-[#6@@H]-2-[#6]-[#8]S([#8-])(=O)=O)[#8]-[#6@@H](-[#6@@H](-[#8])-[#6@H](-[#8])-[#6@H]1-[#8])-[#6](-[#8-])=O |r| Show InChI InChI=1S/C66H100N8O78S10.15Na/c67-74-68-9-3-1-2-4-20(75)69-14-5-7-15(8-6-14)133-62-34(85)31(82)42(49(147-62)54(91)92)142-59-23(72-155(105,106)107)27(78)40(18(136-59)12-131-159(117,118)119)140-65-48(152-162(126,127)128)37(88)45(52(150-65)57(97)98)145-61-24(73-156(108,109)110)28(79)41(19(137-61)13-132-160(120,121)122)141-66-47(151-161(123,124)125)36(87)44(51(149-66)56(95)96)144-60-22(71-154(102,103)104)26(77)39(17(135-60)11-130-158(114,115)116)139-64-35(86)32(83)43(50(148-64)55(93)94)143-58-21(70-153(99,100)101)25(76)38(16(134-58)10-129-157(111,112)113)138-63-33(84)29(80)30(81)46(146-63)53(89)90;;;;;;;;;;;;;;;/h5-8,16-19,21-52,58-66,70-73,76-88H,1-4,9-13H2,(H,69,75)(H,89,90)(H,91,92)(H,93,94)(H,95,96)(H,97,98)(H,99,100,101)(H,102,103,104)(H,105,106,107)(H,108,109,110)(H,111,112,113)(H,114,115,116)(H,117,118,119)(H,120,121,122)(H,123,124,125)(H,126,127,128);;;;;;;;;;;;;;;/q;15*+1/p-15/t16-,17-,18-,19-,21-,22-,23-,24-,25-,26-,27-,28-,29+,30+,31-,32-,33-,34-,35-,36+,37+,38-,39-,40-,41-,42+,43+,44+,45+,46+,47-,48-,49+,50+,51-,52-,58-,59-,60-,61-,62-,63-,64-,65-,66-;;;;;;;;;;;;;;;/m1.............../s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.94E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Inhibition of heparanase (unknown origin) using biotin-heparan sulfate-Eu cryptate as substrate preincubated for 10 mins followed by substrate additi...				J Med Chem 63: 4227-4255 (2020) Article DOI: 10.1021/acs.jmedchem.0c00156 BindingDB Entry DOI: 10.7270/Q2SN0D99
					More data for this Ligand-Target Pair
Heparanase (Homo sapiens (Human))	BDBM50511582 (CHEMBL4469617) Show SMILES [Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[H][C@]1([#8]-[#6@H]-2-[#6@H](-[#8])-[#6@@H](-[#8])-[#6@H](-[#8][C@]3([H])[#6@@H](-[#6]-[#8]S([#8-])(=O)=O)-[#8]-[#6@H](-[#8]-[#6]-[#6]-[#7]S([#8-])(=O)=O)-[#6@H](-[#7]S([#8-])(=O)=O)-[#6@H]3-[#8]S([#8-])(=O)=O)-[#8]-[#6@@H]-2-[#6](-[#8-])=O)[#8]-[#6@H](-[#6]-[#8]S([#8-])(=O)=O)-[#6@@H](-[#8])-[#6@H](-[#8])-[#6@H]1-[#7]S([#8-])(=O)=O |r| Show InChI InChI=1S/C20H37N3O33S6.7Na/c24-9-5(3-49-60(39,40)41)51-19(7(10(9)25)22-58(33,34)35)54-15-11(26)12(27)20(55-16(15)17(28)29)53-13-6(4-50-61(42,43)44)52-18(48-2-1-21-57(30,31)32)8(23-59(36,37)38)14(13)56-62(45,46)47;;;;;;;/h5-16,18-27H,1-4H2,(H,28,29)(H,30,31,32)(H,33,34,35)(H,36,37,38)(H,39,40,41)(H,42,43,44)(H,45,46,47);;;;;;;/q;7*+1/p-7/t5-,6-,7-,8-,9-,10-,11-,12-,13-,14-,15+,16+,18+,19-,20-;;;;;;;/m1......./s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.12E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Inhibition of heparanase (unknown origin) using biotin-heparan sulfate-Eu cryptate as substrate preincubated for 10 mins followed by substrate additi...				J Med Chem 63: 4227-4255 (2020) Article DOI: 10.1021/acs.jmedchem.0c00156 BindingDB Entry DOI: 10.7270/Q2SN0D99
					More data for this Ligand-Target Pair
Heparanase (Homo sapiens (Human))	BDBM50511583 (CHEMBL4447606) Show SMILES [Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[H][C@]1([#8]-[#6@H]-2-[#6@H](-[#8])-[#6@@H](-[#8])-[#6@H](-[#8][C@@]3([H])[#6@H](-[#8])-[#6@@H](-[#7]S([#8-])(=O)=O)-[#6@@H](-[#8]-[#6]-[#6]-[#7]S([#8-])(=O)=O)-[#8]-[#6@@H]3-[#6]-[#8])-[#8]-[#6@@H]-2-[#6](-[#8-])=O)[#8]-[#6@H](-[#6]-[#8]S([#8-])(=O)=O)-[#6@@H](-[#8])-[#6@H](-[#8])-[#6@H]1-[#7]S([#8-])(=O)=O |r| Show InChI InChI=1S/C20H37N3O27S4.5Na/c24-3-5-14(11(27)8(23-53(38,39)40)18(46-5)44-2-1-21-51(32,33)34)48-20-13(29)12(28)15(16(50-20)17(30)31)49-19-7(22-52(35,36)37)10(26)9(25)6(47-19)4-45-54(41,42)43;;;;;/h5-16,18-29H,1-4H2,(H,30,31)(H,32,33,34)(H,35,36,37)(H,38,39,40)(H,41,42,43);;;;;/q;5*+1/p-5/t5-,6-,7-,8-,9-,10-,11-,12-,13-,14-,15+,16+,18+,19-,20-;;;;;/m1...../s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.23E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Inhibition of heparanase (unknown origin) using biotin-heparan sulfate-Eu cryptate as substrate preincubated for 10 mins followed by substrate additi...				J Med Chem 63: 4227-4255 (2020) Article DOI: 10.1021/acs.jmedchem.0c00156 BindingDB Entry DOI: 10.7270/Q2SN0D99
					More data for this Ligand-Target Pair

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