Compile Data Set for Download or QSAR

Found 123 hits with Last Name = 'torkelson' and Initial = 's'   

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
Coagulation factor VII/Tissue factor (Homo sapiens (Human))	BDBM50181921 (2-[5-(5-carbamimidoyl-1H-indol-2-yl)-6-hydroxy-3'-...) Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)-c1cc(cc(c1O)-c1cccc(c1)[N+]([O-])=O)C(CC(O)=O)C(O)=O Show InChI InChI=1S/C25H20N4O7/c26-24(27)13-4-5-20-15(6-13)10-21(28-20)19-9-14(18(25(33)34)11-22(30)31)8-17(23(19)32)12-2-1-3-16(7-12)29(35)36/h1-10,18,28,32H,11H2,(H3,26,27)(H,30,31)(H,33,34)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Celera Genomics Curated by ChEMBL					Assay Description Binding affinity to factor7a/TF complex				Bioorg Med Chem Lett 16: 2243-6 (2006) Article DOI: 10.1016/j.bmcl.2006.01.037 BindingDB Entry DOI: 10.7270/Q2GB23NX
					More data for this Ligand-Target Pair
Coagulation factor VII (Homo sapiens (Human))	BDBM50180400 (2-[5-(5-carbamimidoyl-1H-benzoimidazol-2-yl)-6,2'-...) Show SMILES NC(=O)NCc1ccc(O)c(c1)-c1cc(cc(-c2nc3ccc(cc3[nH]2)C(N)=N)c1O)C(CC(O)=O)C(O)=O Show InChI InChI=1S/C26H24N6O7/c27-23(28)12-2-3-18-19(8-12)32-24(31-18)17-7-13(14(25(37)38)9-21(34)35)6-16(22(17)36)15-5-11(1-4-20(15)33)10-30-26(29)39/h1-8,14,33,36H,9-10H2,(H3,27,28)(H,31,32)(H,34,35)(H,37,38)(H3,29,30,39)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Celera Curated by ChEMBL					Assay Description Binding affinity to f7a				Bioorg Med Chem Lett 16: 3829-32 (2006) Article DOI: 10.1016/j.bmcl.2006.04.018 BindingDB Entry DOI: 10.7270/Q2DN44NK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Coagulation factor VII/Tissue factor (Homo sapiens (Human))	BDBM50180400 (2-[5-(5-carbamimidoyl-1H-benzoimidazol-2-yl)-6,2'-...) Show SMILES NC(=O)NCc1ccc(O)c(c1)-c1cc(cc(-c2nc3ccc(cc3[nH]2)C(N)=N)c1O)C(CC(O)=O)C(O)=O Show InChI InChI=1S/C26H24N6O7/c27-23(28)12-2-3-18-19(8-12)32-24(31-18)17-7-13(14(25(37)38)9-21(34)35)6-16(22(17)36)15-5-11(1-4-20(15)33)10-30-26(29)39/h1-8,14,33,36H,9-10H2,(H3,27,28)(H,31,32)(H,34,35)(H,37,38)(H3,29,30,39)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Celera Genomics Curated by ChEMBL					Assay Description Binding affinity to F7a/TF complex				Bioorg Med Chem Lett 16: 2037-41 (2006) Article DOI: 10.1016/j.bmcl.2005.12.059 BindingDB Entry DOI: 10.7270/Q2639PBP
					More data for this Ligand-Target Pair				3D Structure (crystal)
Coagulation factor VII/Tissue factor (Homo sapiens (Human))	BDBM50181916 (CHEMBL206168 | [5-(5-carbamimidoyl-1H-benzoimidazo...) Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1cc(CC(O)=O)cc(c1O)-c1cc(F)ccc1O Show InChI InChI=1S/C22H17FN4O4/c23-12-2-4-18(28)13(9-12)14-5-10(7-19(29)30)6-15(20(14)31)22-26-16-3-1-11(21(24)25)8-17(16)27-22/h1-6,8-9,28,31H,7H2,(H3,24,25)(H,26,27)(H,29,30)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Celera Genomics Curated by ChEMBL					Assay Description Binding affinity to factor7a/TF complex				Bioorg Med Chem Lett 16: 2243-6 (2006) Article DOI: 10.1016/j.bmcl.2006.01.037 BindingDB Entry DOI: 10.7270/Q2GB23NX
					More data for this Ligand-Target Pair
D(2) dopamine receptor (BOVINE)	BDBM50017466 (2-Methylsulfanylmethyl-4-propyl-1,2,3,4,4a,5,6,10b...) Show SMILES CCCN1C[C@H](CSC)C[C@H]2[C@H]1CCc1cc(O)c(O)cc21 Show InChI InChI=1S/C18H27NO2S/c1-3-6-19-10-12(11-22-2)7-15-14-9-18(21)17(20)8-13(14)4-5-16(15)19/h8-9,12,15-16,20-21H,3-7,10-11H2,1-2H3/t12-,15-,16-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description High binding affinity of the compound for dopamine D-2 receptor from bovine anterior pitutary membrane, using radioligand [3H]-spiroperidol				J Med Chem 32: 961-8 (1989) BindingDB Entry DOI: 10.7270/Q2CN72WQ
					More data for this Ligand-Target Pair
Coagulation factor VII/Tissue factor (Homo sapiens (Human))	BDBM13778 (2-[3-(5-carbamimidoyl-1H-indol-2-yl)-4-hydroxy-5-(...) Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)-c1cc(CC(O)=O)cc(c1O)-c1cccc(c1)[N+]([O-])=O Show InChI InChI=1S/C23H18N4O5/c24-23(25)14-4-5-19-15(9-14)11-20(26-19)18-7-12(8-21(28)29)6-17(22(18)30)13-2-1-3-16(10-13)27(31)32/h1-7,9-11,26,30H,8H2,(H3,24,25)(H,28,29)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Celera Genomics Curated by ChEMBL					Assay Description Binding affinity to factor7a/TF complex				Bioorg Med Chem Lett 16: 2243-6 (2006) Article DOI: 10.1016/j.bmcl.2006.01.037 BindingDB Entry DOI: 10.7270/Q2GB23NX
					More data for this Ligand-Target Pair
Coagulation factor VII (Homo sapiens (Human))	BDBM50186211 (CHEMBL211482 | N-[3'-(5-carbamimidoyl-1H-indol-2-y...) Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)-c1cccc(c1O)-c1cc(CNC(=O)CO)ccc1O Show InChI InChI=1S/C24H22N4O4/c25-24(26)14-5-6-19-15(9-14)10-20(28-19)17-3-1-2-16(23(17)32)18-8-13(4-7-21(18)30)11-27-22(31)12-29/h1-10,28-30,32H,11-12H2,(H3,25,26)(H,27,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Celera Curated by ChEMBL					Assay Description Binding affinity to f7a				Bioorg Med Chem Lett 16: 3829-32 (2006) Article DOI: 10.1016/j.bmcl.2006.04.018 BindingDB Entry DOI: 10.7270/Q2DN44NK
					More data for this Ligand-Target Pair
Coagulation factor VII/Tissue factor (Homo sapiens (Human))	BDBM14898 (2-[3-(5-carbamimidoyl-1H-1,3-benzodiazol-2-yl)-5-(...) Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1cc(cc(c1O)-c1cc(F)ccc1O)C(CC(O)=O)C(O)=O Show InChI InChI=1S/C24H19FN4O6/c25-12-2-4-19(30)14(8-12)15-5-11(13(24(34)35)9-20(31)32)6-16(21(15)33)23-28-17-3-1-10(22(26)27)7-18(17)29-23/h1-8,13,30,33H,9H2,(H3,26,27)(H,28,29)(H,31,32)(H,34,35)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Celera Genomics Curated by ChEMBL					Assay Description Binding affinity to factor7a/TF complex				Bioorg Med Chem Lett 16: 2243-6 (2006) Article DOI: 10.1016/j.bmcl.2006.01.037 BindingDB Entry DOI: 10.7270/Q2GB23NX
					More data for this Ligand-Target Pair
D(2) dopamine receptor (BOVINE)	BDBM50017469 ((9-Hydroxy-4-propyl-1,2,3,4,4a,5,6,10b-octahydro-b...) Show SMILES CCCN1C[C@H](CC#N)C[C@H]2[C@H]1CCc1ccc(O)cc21 Show InChI InChI=1S/C18H24N2O/c1-2-9-20-12-13(7-8-19)10-17-16-11-15(21)5-3-14(16)4-6-18(17)20/h3,5,11,13,17-18,21H,2,4,6-7,9-10,12H2,1H3/t13-,17-,18-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Low binding affinity of the compound for dopamine D-2 receptor from bovine anterior pitutary membrane, using radioligand [3H]-spiroperidol				J Med Chem 32: 961-8 (1989) BindingDB Entry DOI: 10.7270/Q2CN72WQ
					More data for this Ligand-Target Pair
Coagulation factor VII (Homo sapiens (Human))	BDBM50186210 (2-(2,2'-dihydroxy-5-methyl-5'-ureidomethyl-bipheny...) Show SMILES Cc1cc(-c2nc3ccc(cc3[nH]2)C(N)=N)c(O)c(c1)-c1cc(CNC(N)=O)ccc1O Show InChI InChI=1S/C23H22N6O3/c1-11-6-15(14-8-12(2-5-19(14)30)10-27-23(26)32)20(31)16(7-11)22-28-17-4-3-13(21(24)25)9-18(17)29-22/h2-9,30-31H,10H2,1H3,(H3,24,25)(H,28,29)(H3,26,27,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Celera Curated by ChEMBL					Assay Description Binding affinity to f7a				Bioorg Med Chem Lett 16: 3829-32 (2006) Article DOI: 10.1016/j.bmcl.2006.04.018 BindingDB Entry DOI: 10.7270/Q2DN44NK
					More data for this Ligand-Target Pair
Coagulation factor VII (Homo sapiens (Human))	BDBM14898 (2-[3-(5-carbamimidoyl-1H-1,3-benzodiazol-2-yl)-5-(...) Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1cc(cc(c1O)-c1cc(F)ccc1O)C(CC(O)=O)C(O)=O Show InChI InChI=1S/C24H19FN4O6/c25-12-2-4-19(30)14(8-12)15-5-11(13(24(34)35)9-20(31)32)6-16(21(15)33)23-28-17-3-1-10(22(26)27)7-18(17)29-23/h1-8,13,30,33H,9H2,(H3,26,27)(H,28,29)(H,31,32)(H,34,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4	-47.5	n/a	n/a	n/a	n/a	n/a	7.4	22
Celera					Assay Description The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...				Bioorg Med Chem Lett 16: 1596-600 (2006) Article DOI: 10.1016/j.bmcl.2005.12.040 BindingDB Entry DOI: 10.7270/Q2VX0DSZ
					More data for this Ligand-Target Pair
Coagulation factor VII (Homo sapiens (Human))	BDBM13778 (2-[3-(5-carbamimidoyl-1H-indol-2-yl)-4-hydroxy-5-(...) Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)-c1cc(CC(O)=O)cc(c1O)-c1cccc(c1)[N+]([O-])=O Show InChI InChI=1S/C23H18N4O5/c24-23(25)14-4-5-19-15(9-14)11-20(26-19)18-7-12(8-21(28)29)6-17(22(18)30)13-2-1-3-16(10-13)27(31)32/h1-7,9-11,26,30H,8H2,(H3,24,25)(H,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4	-47.5	n/a	n/a	n/a	n/a	n/a	7.4	22
Celera					Assay Description The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...				Bioorg Med Chem Lett 16: 2270-3 (2006) Article DOI: 10.1016/j.bmcl.2006.01.017 BindingDB Entry DOI: 10.7270/Q2RF5S8X
					More data for this Ligand-Target Pair
Coagulation factor VII/Tissue factor (Homo sapiens (Human))	BDBM14898 (2-[3-(5-carbamimidoyl-1H-1,3-benzodiazol-2-yl)-5-(...) Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1cc(cc(c1O)-c1cc(F)ccc1O)C(CC(O)=O)C(O)=O Show InChI InChI=1S/C24H19FN4O6/c25-12-2-4-19(30)14(8-12)15-5-11(13(24(34)35)9-20(31)32)6-16(21(15)33)23-28-17-3-1-10(22(26)27)7-18(17)29-23/h1-8,13,30,33H,9H2,(H3,26,27)(H,28,29)(H,31,32)(H,34,35)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Celera Genomics Curated by ChEMBL					Assay Description Binding affinity to F7a/TF complex				Bioorg Med Chem Lett 16: 2037-41 (2006) Article DOI: 10.1016/j.bmcl.2005.12.059 BindingDB Entry DOI: 10.7270/Q2639PBP
					More data for this Ligand-Target Pair
Coagulation factor VII/Tissue factor (Homo sapiens (Human))	BDBM50181919 (2-[5-(5-carbamimidoyl-1H-benzoimidazol-2-yl)-5'-fl...) Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1cc(CC(CC(O)=O)C(O)=O)cc(c1O)-c1cc(F)ccc1O Show InChI InChI=1S/C25H21FN4O6/c26-14-2-4-20(31)15(10-14)16-6-11(5-13(25(35)36)9-21(32)33)7-17(22(16)34)24-29-18-3-1-12(23(27)28)8-19(18)30-24/h1-4,6-8,10,13,31,34H,5,9H2,(H3,27,28)(H,29,30)(H,32,33)(H,35,36)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Celera Genomics Curated by ChEMBL					Assay Description Binding affinity to factor7a/TF complex				Bioorg Med Chem Lett 16: 2243-6 (2006) Article DOI: 10.1016/j.bmcl.2006.01.037 BindingDB Entry DOI: 10.7270/Q2GB23NX
					More data for this Ligand-Target Pair
Coagulation factor VII (Homo sapiens (Human))	BDBM50186216 (2-(5-fluoro-2,2'-dihydroxy-5'-ureidomethyl-bipheny...) Show SMILES NC(=O)NCc1ccc(O)c(c1)-c1cc(F)cc(-c2nc3ccc(cc3[nH]2)C(N)=N)c1O Show InChI InChI=1S/C22H19FN6O3/c23-12-7-14(13-5-10(1-4-18(13)30)9-27-22(26)32)19(31)15(8-12)21-28-16-3-2-11(20(24)25)6-17(16)29-21/h1-8,30-31H,9H2,(H3,24,25)(H,28,29)(H3,26,27,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Celera Curated by ChEMBL					Assay Description Binding affinity to f7a				Bioorg Med Chem Lett 16: 3829-32 (2006) Article DOI: 10.1016/j.bmcl.2006.04.018 BindingDB Entry DOI: 10.7270/Q2DN44NK
					More data for this Ligand-Target Pair
Coagulation factor VII (Homo sapiens (Human))	BDBM14899 (2-[3-(5-carbamimidoyl-1H-1,3-benzodiazol-2-yl)-5-(...) Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1cc(cc(c1O)-c1cc(Cl)ccc1O)C(CC(O)=O)C(O)=O Show InChI InChI=1S/C24H19ClN4O6/c25-12-2-4-19(30)14(8-12)15-5-11(13(24(34)35)9-20(31)32)6-16(21(15)33)23-28-17-3-1-10(22(26)27)7-18(17)29-23/h1-8,13,30,33H,9H2,(H3,26,27)(H,28,29)(H,31,32)(H,34,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	5.40	-46.7	n/a	n/a	n/a	n/a	n/a	7.4	22
Celera					Assay Description The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...				Bioorg Med Chem Lett 16: 1596-600 (2006) Article DOI: 10.1016/j.bmcl.2005.12.040 BindingDB Entry DOI: 10.7270/Q2VX0DSZ
					More data for this Ligand-Target Pair
D(2) dopamine receptor (BOVINE)	BDBM50017464 ((8,9-Dihydroxy-4-propyl-1,2,3,4,4a,5,6,10b-octahyd...) Show SMILES CCCN1C[C@H](CC#N)C[C@H]2[C@H]1CCc1cc(O)c(O)cc21 Show InChI InChI=1S/C18H24N2O2/c1-2-7-20-11-12(5-6-19)8-15-14-10-18(22)17(21)9-13(14)3-4-16(15)20/h9-10,12,15-16,21-22H,2-5,7-8,11H2,1H3/t12-,15-,16-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Low binding affinity of the compound for dopamine D-2 receptor from bovine anterior pitutary membrane, using radioligand [3H]-spiroperidol				J Med Chem 32: 961-8 (1989) BindingDB Entry DOI: 10.7270/Q2CN72WQ
					More data for this Ligand-Target Pair
Coagulation factor VII (Homo sapiens (Human))	BDBM14900 (2-[3-(5-carbamimidoyl-1H-1,3-benzodiazol-2-yl)-4-h...) Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1cc(cc(c1O)-c1cc(ccc1O)[N+]([O-])=O)C(CC(O)=O)C(O)=O Show InChI InChI=1S/C24H19N5O8/c25-22(26)10-1-3-17-18(7-10)28-23(27-17)16-6-11(13(24(34)35)9-20(31)32)5-15(21(16)33)14-8-12(29(36)37)2-4-19(14)30/h1-8,13,30,33H,9H2,(H3,25,26)(H,27,28)(H,31,32)(H,34,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	6	-46.5	n/a	n/a	n/a	n/a	n/a	7.4	22
Celera					Assay Description The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...				Bioorg Med Chem Lett 16: 1596-600 (2006) Article DOI: 10.1016/j.bmcl.2005.12.040 BindingDB Entry DOI: 10.7270/Q2VX0DSZ
					More data for this Ligand-Target Pair
D(2) dopamine receptor (BOVINE)	BDBM50017462 (2-Methyl-4-propyl-1,2,3,4,4a,5,6,10b-octahydro-ben...) Show SMILES CCCN1C[C@H](C)C[C@H]2[C@H]1CCc1ccc(O)cc21 Show InChI InChI=1S/C17H25NO/c1-3-8-18-11-12(2)9-16-15-10-14(19)6-4-13(15)5-7-17(16)18/h4,6,10,12,16-17,19H,3,5,7-9,11H2,1-2H3/t12-,16-,17-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description High binding affinity of the compound for dopamine D-2 receptor from bovine anterior pitutary membrane, using radioligand [3H]-spiroperidol				J Med Chem 32: 961-8 (1989) BindingDB Entry DOI: 10.7270/Q2CN72WQ
					More data for this Ligand-Target Pair
Coagulation factor VII (Homo sapiens (Human))	BDBM14904 (2-[3-(3-bromo-5-chloro-2-hydroxyphenyl)-5-(5-carba...) Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1cc(cc(c1O)-c1cc(Cl)cc(Br)c1O)C(CC(O)=O)C(O)=O Show InChI InChI=1S/C24H18BrClN4O6/c25-16-7-11(26)6-14(21(16)34)13-3-10(12(24(35)36)8-19(31)32)4-15(20(13)33)23-29-17-2-1-9(22(27)28)5-18(17)30-23/h1-7,12,33-34H,8H2,(H3,27,28)(H,29,30)(H,31,32)(H,35,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	9	-45.5	n/a	n/a	n/a	n/a	n/a	7.4	22
Celera					Assay Description The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...				Bioorg Med Chem Lett 16: 1596-600 (2006) Article DOI: 10.1016/j.bmcl.2005.12.040 BindingDB Entry DOI: 10.7270/Q2VX0DSZ
					More data for this Ligand-Target Pair
Coagulation factor VII (Homo sapiens (Human))	BDBM14901 (2-[3-(5-amino-2-hydroxyphenyl)-5-(5-carbamimidoyl-...) Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1cc(cc(c1O)-c1cc(N)ccc1O)C(CC(O)=O)C(O)=O Show InChI InChI=1S/C24H21N5O6/c25-12-2-4-19(30)14(8-12)15-5-11(13(24(34)35)9-20(31)32)6-16(21(15)33)23-28-17-3-1-10(22(26)27)7-18(17)29-23/h1-8,13,30,33H,9,25H2,(H3,26,27)(H,28,29)(H,31,32)(H,34,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	10	-45.2	n/a	n/a	n/a	n/a	n/a	7.4	22
Celera					Assay Description The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...				Bioorg Med Chem Lett 16: 1596-600 (2006) Article DOI: 10.1016/j.bmcl.2005.12.040 BindingDB Entry DOI: 10.7270/Q2VX0DSZ
					More data for this Ligand-Target Pair
Coagulation factor VII (Homo sapiens (Human))	BDBM14902 (2-[3-(5-carbamimidoyl-1H-1,3-benzodiazol-2-yl)-5-(...) Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1cc(cc(c1O)-c1cc(ccc1O)C#N)C(CC(O)=O)C(O)=O Show InChI InChI=1S/C25H19N5O6/c26-10-11-1-4-20(31)15(5-11)16-6-13(14(25(35)36)9-21(32)33)7-17(22(16)34)24-29-18-3-2-12(23(27)28)8-19(18)30-24/h1-8,14,31,34H,9H2,(H3,27,28)(H,29,30)(H,32,33)(H,35,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	12	-44.8	n/a	n/a	n/a	n/a	n/a	7.4	22
Celera					Assay Description The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...				Bioorg Med Chem Lett 16: 1596-600 (2006) Article DOI: 10.1016/j.bmcl.2005.12.040 BindingDB Entry DOI: 10.7270/Q2VX0DSZ
					More data for this Ligand-Target Pair
Coagulation factor VII/Tissue factor (Homo sapiens (Human))	BDBM50180403 (2-[5-(5-carbamimidoyl-1H-benzoimidazol-2-yl)-5'-ca...) Show SMILES NC(=O)Cc1ccc(O)c(c1)-c1cc(cc(-c2nc3ccc(cc3[nH]2)C(N)=N)c1O)C(CC(O)=O)C(O)=O Show InChI InChI=1S/C26H23N5O7/c27-21(33)6-11-1-4-20(32)15(5-11)16-7-13(14(26(37)38)10-22(34)35)8-17(23(16)36)25-30-18-3-2-12(24(28)29)9-19(18)31-25/h1-5,7-9,14,32,36H,6,10H2,(H2,27,33)(H3,28,29)(H,30,31)(H,34,35)(H,37,38)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Celera Genomics Curated by ChEMBL					Assay Description Binding affinity to F7a/TF complex				Bioorg Med Chem Lett 16: 2037-41 (2006) Article DOI: 10.1016/j.bmcl.2005.12.059 BindingDB Entry DOI: 10.7270/Q2639PBP
					More data for this Ligand-Target Pair
Coagulation factor VII/Tissue factor (Homo sapiens (Human))	BDBM50180405 (2-[5-(5-carbamimidoyl-1H-benzoimidazol-2-yl)-5'-ca...) Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1cc(cc(c1O)-c1cc(CC(O)=O)ccc1O)C(CC(O)=O)C(O)=O Show InChI InChI=1S/C26H22N4O8/c27-24(28)12-2-3-18-19(9-12)30-25(29-18)17-8-13(14(26(37)38)10-22(34)35)7-16(23(17)36)15-5-11(6-21(32)33)1-4-20(15)31/h1-5,7-9,14,31,36H,6,10H2,(H3,27,28)(H,29,30)(H,32,33)(H,34,35)(H,37,38)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Celera Genomics Curated by ChEMBL					Assay Description Binding affinity to F7a/TF complex				Bioorg Med Chem Lett 16: 2037-41 (2006) Article DOI: 10.1016/j.bmcl.2005.12.059 BindingDB Entry DOI: 10.7270/Q2639PBP
					More data for this Ligand-Target Pair
Coagulation factor VII/Tissue factor (Homo sapiens (Human))	BDBM50180404 (2-[5-(5-carbamimidoyl-1H-benzoimidazol-2-yl)-5'-(2...) Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1cc(cc(c1O)-c1cc(CCC(O)=O)ccc1O)C(CC(O)=O)C(O)=O Show InChI InChI=1S/C27H24N4O8/c28-25(29)13-3-4-19-20(10-13)31-26(30-19)18-9-14(15(27(38)39)11-23(35)36)8-17(24(18)37)16-7-12(1-5-21(16)32)2-6-22(33)34/h1,3-5,7-10,15,32,37H,2,6,11H2,(H3,28,29)(H,30,31)(H,33,34)(H,35,36)(H,38,39)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Celera Genomics Curated by ChEMBL					Assay Description Binding affinity to F7a/TF complex				Bioorg Med Chem Lett 16: 2037-41 (2006) Article DOI: 10.1016/j.bmcl.2005.12.059 BindingDB Entry DOI: 10.7270/Q2639PBP
					More data for this Ligand-Target Pair
Coagulation factor VII (Homo sapiens (Human))	BDBM14903 (2-[3-(5-carbamimidoyl-1H-1,3-benzodiazol-2-yl)-4-h...) Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1cc(cc(c1O)-c1ccccc1O)C(CC(O)=O)C(O)=O Show InChI InChI=1S/C24H20N4O6/c25-22(26)11-5-6-17-18(9-11)28-23(27-17)16-8-12(14(24(33)34)10-20(30)31)7-15(21(16)32)13-3-1-2-4-19(13)29/h1-9,14,29,32H,10H2,(H3,25,26)(H,27,28)(H,30,31)(H,33,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13	-44.6	n/a	n/a	n/a	n/a	n/a	7.4	22
Celera					Assay Description The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...				Bioorg Med Chem Lett 16: 1596-600 (2006) Article DOI: 10.1016/j.bmcl.2005.12.040 BindingDB Entry DOI: 10.7270/Q2VX0DSZ
					More data for this Ligand-Target Pair
Coagulation factor VII/Tissue factor (Homo sapiens (Human))	BDBM50181917 (3-[5-(5-carbamimidoyl-1H-indol-2-yl)-6-hydroxy-3'-...) Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)-c1cc(cc(c1O)-c1cccc(c1)[N+]([O-])=O)C(CC(O)=O)CC(O)=O Show InChI InChI=1S/C26H22N4O7/c27-26(28)14-4-5-21-17(6-14)10-22(29-21)20-9-15(16(11-23(31)32)12-24(33)34)8-19(25(20)35)13-2-1-3-18(7-13)30(36)37/h1-10,16,29,35H,11-12H2,(H3,27,28)(H,31,32)(H,33,34)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Celera Genomics Curated by ChEMBL					Assay Description Binding affinity to factor7a/TF complex				Bioorg Med Chem Lett 16: 2243-6 (2006) Article DOI: 10.1016/j.bmcl.2006.01.037 BindingDB Entry DOI: 10.7270/Q2GB23NX
					More data for this Ligand-Target Pair
Coagulation factor VII (Homo sapiens (Human))	BDBM50186214 (CHEMBL380098 | hexanoic acid [3'-(5-carbamimidoyl-...) Show SMILES CCCCCC(=O)NCc1ccc(O)c(c1)-c1cccc(-c2cc3cc(ccc3[nH]2)C(N)=N)c1O Show InChI InChI=1S/C28H30N4O3/c1-2-3-4-8-26(34)31-16-17-9-12-25(33)22(13-17)20-6-5-7-21(27(20)35)24-15-19-14-18(28(29)30)10-11-23(19)32-24/h5-7,9-15,32-33,35H,2-4,8,16H2,1H3,(H3,29,30)(H,31,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Celera Curated by ChEMBL					Assay Description Binding affinity to f7a				Bioorg Med Chem Lett 16: 3829-32 (2006) Article DOI: 10.1016/j.bmcl.2006.04.018 BindingDB Entry DOI: 10.7270/Q2DN44NK
					More data for this Ligand-Target Pair
D(2) dopamine receptor (BOVINE)	BDBM50017461 (2-Methylsulfanylmethyl-4-propyl-1,2,3,4,4a,5,6,10b...) Show SMILES CCCN1C[C@H](CSC)C[C@H]2[C@H]1CCc1ccc(O)cc21 Show InChI InChI=1S/C18H27NOS/c1-3-8-19-11-13(12-21-2)9-17-16-10-15(20)6-4-14(16)5-7-18(17)19/h4,6,10,13,17-18,20H,3,5,7-9,11-12H2,1-2H3/t13-,17-,18-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description High binding affinity of the compound for dopamine D-2 receptor from bovine anterior pitutary membrane, using radioligand [3H]-spiroperidol in bovine...				J Med Chem 32: 961-8 (1989) BindingDB Entry DOI: 10.7270/Q2CN72WQ
					More data for this Ligand-Target Pair
Coagulation factor VII (Homo sapiens (Human))	BDBM50186217 (CHEMBL377990 | [5-(5-carbamimidoyl-1H-benzoimidazo...) Show SMILES NC(=O)NCc1ccc(O)c(c1)-c1cc(CC(O)=O)cc(-c2nc3ccc(cc3[nH]2)C(N)=N)c1O Show InChI InChI=1S/C24H22N6O5/c25-22(26)13-2-3-17-18(9-13)30-23(29-17)16-7-12(8-20(32)33)6-15(21(16)34)14-5-11(1-4-19(14)31)10-28-24(27)35/h1-7,9,31,34H,8,10H2,(H3,25,26)(H,29,30)(H,32,33)(H3,27,28,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Celera Curated by ChEMBL					Assay Description Binding affinity to f7a				Bioorg Med Chem Lett 16: 3829-32 (2006) Article DOI: 10.1016/j.bmcl.2006.04.018 BindingDB Entry DOI: 10.7270/Q2DN44NK
					More data for this Ligand-Target Pair
Coagulation factor VII (Homo sapiens (Human))	BDBM14863 (({3-[3-(5-carbamimidoyl-1H-1,3-benzodiazol-2-yl)-2...) Show SMILES NC(=O)NCc1ccc(O)c(c1)-c1cccc(-c2nc3ccc(cc3[nH]2)C(N)=N)c1O Show InChI InChI=1S/C22H20N6O3/c23-20(24)12-5-6-16-17(9-12)28-21(27-16)14-3-1-2-13(19(14)30)15-8-11(4-7-18(15)29)10-26-22(25)31/h1-9,29-30H,10H2,(H3,23,24)(H,27,28)(H3,25,26,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Celera Curated by ChEMBL					Assay Description Binding affinity to f7a				Bioorg Med Chem Lett 16: 3829-32 (2006) Article DOI: 10.1016/j.bmcl.2006.04.018 BindingDB Entry DOI: 10.7270/Q2DN44NK
					More data for this Ligand-Target Pair
Coagulation factor VII (Homo sapiens (Human))	BDBM14905 (2-[3-(5-carbamimidoyl-1H-1,3-benzodiazol-2-yl)-5-(...) Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1cc(cc(c1O)-c1cc(Cl)cc(Cl)c1O)C(CC(O)=O)C(O)=O Show InChI InChI=1S/C24H18Cl2N4O6/c25-11-6-14(21(34)16(26)7-11)13-3-10(12(24(35)36)8-19(31)32)4-15(20(13)33)23-29-17-2-1-9(22(27)28)5-18(17)30-23/h1-7,12,33-34H,8H2,(H3,27,28)(H,29,30)(H,31,32)(H,35,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	14	-44.4	n/a	n/a	n/a	n/a	n/a	7.4	22
Celera					Assay Description The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...				Bioorg Med Chem Lett 16: 1596-600 (2006) Article DOI: 10.1016/j.bmcl.2005.12.040 BindingDB Entry DOI: 10.7270/Q2VX0DSZ
					More data for this Ligand-Target Pair
Coagulation factor VII/Tissue factor (Homo sapiens (Human))	BDBM50180401 (2-[5-(5-carbamimidoyl-1H-benzoimidazol-2-yl)-5'-ca...) Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1cc(cc(c1O)-c1cc(ccc1O)C(N)=O)C(CC(O)=O)C(O)=O Show InChI InChI=1S/C25H21N5O7/c26-22(27)10-1-3-17-18(8-10)30-24(29-17)16-7-12(13(25(36)37)9-20(32)33)6-15(21(16)34)14-5-11(23(28)35)2-4-19(14)31/h1-8,13,31,34H,9H2,(H3,26,27)(H2,28,35)(H,29,30)(H,32,33)(H,36,37)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Celera Genomics Curated by ChEMBL					Assay Description Binding affinity to F7a/TF complex				Bioorg Med Chem Lett 16: 2037-41 (2006) Article DOI: 10.1016/j.bmcl.2005.12.059 BindingDB Entry DOI: 10.7270/Q2639PBP
					More data for this Ligand-Target Pair
Coagulation factor VII (Homo sapiens (Human))	BDBM13776 (2-[3-(5-carbamimidoyl-1H-1,3-benzodiazol-2-yl)-4-h...) Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1cc(CC(O)=O)cc(c1O)-c1cccc(c1)[N+]([O-])=O Show InChI InChI=1S/C22H17N5O5/c23-21(24)13-4-5-17-18(10-13)26-22(25-17)16-7-11(8-19(28)29)6-15(20(16)30)12-2-1-3-14(9-12)27(31)32/h1-7,9-10,30H,8H2,(H3,23,24)(H,25,26)(H,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	15	-44.2	n/a	n/a	n/a	n/a	n/a	7.4	22
Celera					Assay Description The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...				Bioorg Med Chem Lett 16: 2270-3 (2006) Article DOI: 10.1016/j.bmcl.2006.01.017 BindingDB Entry DOI: 10.7270/Q2RF5S8X
					More data for this Ligand-Target Pair
Coagulation factor VII/Tissue factor (Homo sapiens (Human))	BDBM13776 (2-[3-(5-carbamimidoyl-1H-1,3-benzodiazol-2-yl)-4-h...) Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1cc(CC(O)=O)cc(c1O)-c1cccc(c1)[N+]([O-])=O Show InChI InChI=1S/C22H17N5O5/c23-21(24)13-4-5-17-18(10-13)26-22(25-17)16-7-11(8-19(28)29)6-15(20(16)30)12-2-1-3-14(9-12)27(31)32/h1-7,9-10,30H,8H2,(H3,23,24)(H,25,26)(H,28,29)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Celera Genomics Curated by ChEMBL					Assay Description Binding affinity to factor7a/TF complex				Bioorg Med Chem Lett 16: 2243-6 (2006) Article DOI: 10.1016/j.bmcl.2006.01.037 BindingDB Entry DOI: 10.7270/Q2GB23NX
					More data for this Ligand-Target Pair
Coagulation factor VII (Homo sapiens (Human))	BDBM50186212 (CHEMBL214351 | N-[3'-(5-carbamimidoyl-1H-indol-2-y...) Show SMILES CN(C)CCCC(=O)NCc1ccc(O)c(c1)-c1cccc(-c2cc3cc(ccc3[nH]2)C(N)=N)c1O Show InChI InChI=1S/C28H31N5O3/c1-33(2)12-4-7-26(35)31-16-17-8-11-25(34)22(13-17)20-5-3-6-21(27(20)36)24-15-19-14-18(28(29)30)9-10-23(19)32-24/h3,5-6,8-11,13-15,32,34,36H,4,7,12,16H2,1-2H3,(H3,29,30)(H,31,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Celera Curated by ChEMBL					Assay Description Binding affinity to f7a				Bioorg Med Chem Lett 16: 3829-32 (2006) Article DOI: 10.1016/j.bmcl.2006.04.018 BindingDB Entry DOI: 10.7270/Q2DN44NK
					More data for this Ligand-Target Pair
Coagulation factor VII (Homo sapiens (Human))	BDBM50186215 (CHEMBL214352 | morpholine-4-carboxylic acid [3'-(5...) Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)-c1cccc(c1O)-c1cc(CNC(=O)N2CCOCC2)ccc1O Show InChI InChI=1S/C27H27N5O4/c28-26(29)17-5-6-22-18(13-17)14-23(31-22)20-3-1-2-19(25(20)34)21-12-16(4-7-24(21)33)15-30-27(35)32-8-10-36-11-9-32/h1-7,12-14,31,33-34H,8-11,15H2,(H3,28,29)(H,30,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Celera Curated by ChEMBL					Assay Description Binding affinity to f7a				Bioorg Med Chem Lett 16: 3829-32 (2006) Article DOI: 10.1016/j.bmcl.2006.04.018 BindingDB Entry DOI: 10.7270/Q2DN44NK
					More data for this Ligand-Target Pair
Coagulation factor VII/Tissue factor (Homo sapiens (Human))	BDBM50181915 (2-[5-(5-carbamimidoyl-1H-benzoimidazol-2-yl)-6-hyd...) Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1cc(cc(-c2cccc(c2)[N+]([O-])=O)c1O)C(CCC(O)=O)C(O)=O Show InChI InChI=1S/C25H21N5O7/c26-23(27)13-4-6-19-20(11-13)29-24(28-19)18-10-14(16(25(34)35)5-7-21(31)32)9-17(22(18)33)12-2-1-3-15(8-12)30(36)37/h1-4,6,8-11,16,33H,5,7H2,(H3,26,27)(H,28,29)(H,31,32)(H,34,35)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Celera Genomics Curated by ChEMBL					Assay Description Binding affinity to factor7a/TF complex				Bioorg Med Chem Lett 16: 2243-6 (2006) Article DOI: 10.1016/j.bmcl.2006.01.037 BindingDB Entry DOI: 10.7270/Q2GB23NX
					More data for this Ligand-Target Pair
Coagulation factor VII (Homo sapiens (Human))	BDBM13786 (2-(3-{5-amino-1H-pyrrolo[3,2-b]pyridin-2-yl}-4-hyd...) Show SMILES Nc1ccc2[nH]c(cc2n1)-c1cc(CC(O)=O)cc(c1O)-c1cccc(CNC(=O)Nc2ccccc2)c1 Show InChI InChI=1S/C29H25N5O4/c30-26-10-9-23-25(34-26)15-24(33-23)22-13-18(14-27(35)36)12-21(28(22)37)19-6-4-5-17(11-19)16-31-29(38)32-20-7-2-1-3-8-20/h1-13,15,33,37H,14,16H2,(H2,30,34)(H,35,36)(H2,31,32,38)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	20	-43.5	n/a	n/a	n/a	n/a	n/a	7.4	22
Celera					Assay Description The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...				Bioorg Med Chem Lett 16: 2270-3 (2006) Article DOI: 10.1016/j.bmcl.2006.01.017 BindingDB Entry DOI: 10.7270/Q2RF5S8X
					More data for this Ligand-Target Pair
Coagulation factor VII (Homo sapiens (Human))	BDBM14907 (2-[3-(5-carbamimidoyl-1H-1,3-benzodiazol-2-yl)-4-h...) Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1cc(cc(-c2cccc(CO)c2)c1O)C(CC(O)=O)C(O)=O Show InChI InChI=1S/C25H22N4O6/c26-23(27)14-4-5-19-20(9-14)29-24(28-19)18-8-15(17(25(34)35)10-21(31)32)7-16(22(18)33)13-3-1-2-12(6-13)11-30/h1-9,17,30,33H,10-11H2,(H3,26,27)(H,28,29)(H,31,32)(H,34,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	21	-43.4	n/a	n/a	n/a	n/a	n/a	7.4	22
Celera					Assay Description The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...				Bioorg Med Chem Lett 16: 1596-600 (2006) Article DOI: 10.1016/j.bmcl.2005.12.040 BindingDB Entry DOI: 10.7270/Q2VX0DSZ
					More data for this Ligand-Target Pair
Coagulation factor VII/Tissue factor (Homo sapiens (Human))	BDBM50181920 (2-[5-(5-carbamimidoyl-1H-benzoimidazol-2-yl)-6-hyd...) Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1cc(CC(C(O)=O)C(O)=O)cc(-c2cccc(c2)[N+]([O-])=O)c1O Show InChI InChI=1S/C24H19N5O7/c25-21(26)13-4-5-18-19(10-13)28-22(27-18)16-7-11(8-17(23(31)32)24(33)34)6-15(20(16)30)12-2-1-3-14(9-12)29(35)36/h1-7,9-10,17,30H,8H2,(H3,25,26)(H,27,28)(H,31,32)(H,33,34)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Celera Genomics Curated by ChEMBL					Assay Description Binding affinity to factor7a/TF complex				Bioorg Med Chem Lett 16: 2243-6 (2006) Article DOI: 10.1016/j.bmcl.2006.01.037 BindingDB Entry DOI: 10.7270/Q2GB23NX
					More data for this Ligand-Target Pair
Coagulation factor VII (Homo sapiens (Human))	BDBM14908 (2-[3-(5-carbamimidoyl-1H-1,3-benzodiazol-2-yl)-4-h...) Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1cc(cc(-c2cccc(c2)[N+]([O-])=O)c1O)C(CC(O)=O)C(O)=O Show InChI InChI=1S/C24H19N5O7/c25-22(26)12-4-5-18-19(9-12)28-23(27-18)17-8-13(16(24(33)34)10-20(30)31)7-15(21(17)32)11-2-1-3-14(6-11)29(35)36/h1-9,16,32H,10H2,(H3,25,26)(H,27,28)(H,30,31)(H,33,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	22	-43.3	n/a	n/a	n/a	n/a	n/a	7.4	22
Celera					Assay Description The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...				Bioorg Med Chem Lett 16: 1596-600 (2006) Article DOI: 10.1016/j.bmcl.2005.12.040 BindingDB Entry DOI: 10.7270/Q2VX0DSZ
					More data for this Ligand-Target Pair
Coagulation factor VII (Homo sapiens (Human))	BDBM14909 (2-[3-(5-carbamimidoyl-1H-1,3-benzodiazol-2-yl)-4-h...) Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1cc(cc(c1O)-c1ccccc1[N+]([O-])=O)C(CC(O)=O)C(O)=O Show InChI InChI=1S/C24H19N5O7/c25-22(26)11-5-6-17-18(9-11)28-23(27-17)16-8-12(14(24(33)34)10-20(30)31)7-15(21(16)32)13-3-1-2-4-19(13)29(35)36/h1-9,14,32H,10H2,(H3,25,26)(H,27,28)(H,30,31)(H,33,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	22	-43.3	n/a	n/a	n/a	n/a	n/a	7.4	22
Celera					Assay Description The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...				Bioorg Med Chem Lett 16: 1596-600 (2006) Article DOI: 10.1016/j.bmcl.2005.12.040 BindingDB Entry DOI: 10.7270/Q2VX0DSZ
					More data for this Ligand-Target Pair
Coagulation factor VII/Tissue factor (Homo sapiens (Human))	BDBM14908 (2-[3-(5-carbamimidoyl-1H-1,3-benzodiazol-2-yl)-4-h...) Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1cc(cc(-c2cccc(c2)[N+]([O-])=O)c1O)C(CC(O)=O)C(O)=O Show InChI InChI=1S/C24H19N5O7/c25-22(26)12-4-5-18-19(9-12)28-23(27-18)17-8-13(16(24(33)34)10-20(30)31)7-15(21(17)32)11-2-1-3-14(6-11)29(35)36/h1-9,16,32H,10H2,(H3,25,26)(H,27,28)(H,30,31)(H,33,34)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Celera Genomics Curated by ChEMBL					Assay Description Binding affinity to factor7a/TF complex				Bioorg Med Chem Lett 16: 2243-6 (2006) Article DOI: 10.1016/j.bmcl.2006.01.037 BindingDB Entry DOI: 10.7270/Q2GB23NX
					More data for this Ligand-Target Pair
Coagulation factor VII (Homo sapiens (Human))	BDBM14906 (2-[3-(5-carbamimidoyl-1H-1,3-benzodiazol-2-yl)-5-(...) Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1cc(cc(c1O)-c1c(O)cc(Cl)cc1Cl)C(CC(O)=O)C(O)=O |(-12.53,-2.27,;-11.93,-.85,;-12.87,.37,;-10.41,-.66,;-9.47,-1.88,;-7.95,-1.68,;-7.35,-.26,;-5.9,.25,;-5.93,1.78,;-7.41,2.23,;-8.29,.96,;-9.81,.77,;-4.6,2.55,;-4.6,4.1,;-3.27,4.87,;-1.93,4.1,;-1.93,2.55,;-3.27,1.78,;-3.27,.24,;-.6,1.78,;.73,2.56,;.73,4.1,;2.07,1.78,;2.07,.24,;3.4,-.53,;.73,-.53,;-.6,.24,;-1.93,-.53,;-3.27,6.41,;-1.93,7.18,;-.6,6.41,;-.6,4.87,;.73,7.18,;-4.6,7.18,;-5.93,6.41,;-4.6,8.72,)| Show InChI InChI=1S/C24H18Cl2N4O6/c25-11-6-15(26)20(18(31)7-11)13-3-10(12(24(35)36)8-19(32)33)4-14(21(13)34)23-29-16-2-1-9(22(27)28)5-17(16)30-23/h1-7,12,31,34H,8H2,(H3,27,28)(H,29,30)(H,32,33)(H,35,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	25	-43.0	n/a	n/a	n/a	n/a	n/a	7.4	22
Celera					Assay Description The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...				Bioorg Med Chem Lett 16: 1596-600 (2006) Article DOI: 10.1016/j.bmcl.2005.12.040 BindingDB Entry DOI: 10.7270/Q2VX0DSZ
					More data for this Ligand-Target Pair
Coagulation factor VII (Homo sapiens (Human))	BDBM14910 (2-[3-(5-carbamimidoyl-1H-1,3-benzodiazol-2-yl)-5-(...) Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1cc(cc(-c2cc(Cl)cc(Cl)c2)c1O)C(CC(O)=O)C(O)=O Show InChI InChI=1S/C24H18Cl2N4O5/c25-13-3-11(4-14(26)8-13)15-5-12(16(24(34)35)9-20(31)32)6-17(21(15)33)23-29-18-2-1-10(22(27)28)7-19(18)30-23/h1-8,16,33H,9H2,(H3,27,28)(H,29,30)(H,31,32)(H,34,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	27	-42.8	n/a	n/a	n/a	n/a	n/a	7.4	22
Celera					Assay Description The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...				Bioorg Med Chem Lett 16: 1596-600 (2006) Article DOI: 10.1016/j.bmcl.2005.12.040 BindingDB Entry DOI: 10.7270/Q2VX0DSZ
					More data for this Ligand-Target Pair
Coagulation factor VII (Homo sapiens (Human))	BDBM14911 (2-[3-(5-carbamimidoyl-1H-1,3-benzodiazol-2-yl)-5-(...) Show SMILES Cc1cc(C)cc(c1)-c1cc(cc(-c2nc3ccc(cc3[nH]2)C(N)=N)c1O)C(CC(O)=O)C(O)=O Show InChI InChI=1S/C26H24N4O5/c1-12-5-13(2)7-15(6-12)17-8-16(18(26(34)35)11-22(31)32)9-19(23(17)33)25-29-20-4-3-14(24(27)28)10-21(20)30-25/h3-10,18,33H,11H2,1-2H3,(H3,27,28)(H,29,30)(H,31,32)(H,34,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	29	-42.6	n/a	n/a	n/a	n/a	n/a	7.4	22
Celera					Assay Description The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...				Bioorg Med Chem Lett 16: 1596-600 (2006) Article DOI: 10.1016/j.bmcl.2005.12.040 BindingDB Entry DOI: 10.7270/Q2VX0DSZ
					More data for this Ligand-Target Pair
Coagulation factor VII (Homo sapiens (Human))	BDBM14912 (2-[3-(5-carbamimidoyl-1H-1,3-benzodiazol-2-yl)-5-(...) Show SMILES CC(=O)c1cccc(c1)-c1cc(cc(-c2nc3ccc(cc3[nH]2)C(N)=N)c1O)C(CC(O)=O)C(O)=O Show InChI InChI=1S/C26H22N4O6/c1-12(31)13-3-2-4-14(7-13)17-8-16(18(26(35)36)11-22(32)33)9-19(23(17)34)25-29-20-6-5-15(24(27)28)10-21(20)30-25/h2-10,18,34H,11H2,1H3,(H3,27,28)(H,29,30)(H,32,33)(H,35,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	33	-42.3	n/a	n/a	n/a	n/a	n/a	7.4	22
Celera					Assay Description The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...				Bioorg Med Chem Lett 16: 1596-600 (2006) Article DOI: 10.1016/j.bmcl.2005.12.040 BindingDB Entry DOI: 10.7270/Q2VX0DSZ
					More data for this Ligand-Target Pair
D(2) dopamine receptor (BOVINE)	BDBM55121 (3-HYDROXYTYRAMINE HYDROCHLORIDE | 4-(2-aminoethyl)...) Show SMILES NCCc1ccc(O)c(O)c1 Show InChI InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid PDB UniChem Similars	PubMed	34	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description High binding affinity of the compound for dopamine D-2 receptor from bovine anterior pitutary membrane, using radioligand [3H]-spiroperidol				J Med Chem 32: 961-8 (1989) BindingDB Entry DOI: 10.7270/Q2CN72WQ
					More data for this Ligand-Target Pair
Coagulation factor VII/Tissue factor (Homo sapiens (Human))	BDBM50180406 (2-[5'-aminomethyl-5-(5-carbamimidoyl-1H-benzoimida...) Show SMILES NCc1ccc(O)c(c1)-c1cc(cc(-c2nc3ccc(cc3[nH]2)C(N)=N)c1O)C(CC(O)=O)C(O)=O Show InChI InChI=1S/C25H23N5O6/c26-10-11-1-4-20(31)15(5-11)16-6-13(14(25(35)36)9-21(32)33)7-17(22(16)34)24-29-18-3-2-12(23(27)28)8-19(18)30-24/h1-8,14,31,34H,9-10,26H2,(H3,27,28)(H,29,30)(H,32,33)(H,35,36)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Celera Genomics Curated by ChEMBL					Assay Description Binding affinity to F7a/TF complex				Bioorg Med Chem Lett 16: 2037-41 (2006) Article DOI: 10.1016/j.bmcl.2005.12.059 BindingDB Entry DOI: 10.7270/Q2639PBP
					More data for this Ligand-Target Pair

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