Compile Data Set for Download or QSAR

Found 329 hits with Last Name = 'nielsen' and Initial = 'l'   

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
Acetylcholine-binding protein (Lymnaea stagnalis)	BDBM50088453 (1-(6-Bromo-5-ethoxy-pyridin-3-yl)-[1,4]diazepane |...) Show SMILES CCOc1cc(cnc1Br)N1CCCNCC1 Show InChI InChI=1S/C12H18BrN3O/c1-2-17-11-8-10(9-15-12(11)13)16-6-3-4-14-5-7-16/h8-9,14H,2-7H2,1H3	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	0.0670	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen					Assay Description Binding affinities for alpha 4 beta 2 nAChR were determined in tissue suspension of rat cortical membranes using 1 nM [3H]cytisine. Binding affiniti...				J Biol Chem 287: 4248-59 (2012) Article DOI: 10.1074/jbc.M111.292243 BindingDB Entry DOI: 10.7270/Q2J964Z5
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholine-binding protein (Lymnaea stagnalis)	BDBM50143314 ((+)-Epibatidine | (-)-epibatidine | (1R,2R,4S)-2-(...) Show SMILES Clc1ccc(cn1)[C@H]1C[C@@H]2CC[C@H]1N2 |THB:4:7:13:11.10| Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2/t8-,9+,10+/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.0970	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen					Assay Description Binding affinities for alpha 4 beta 2 nAChR were determined in tissue suspension of rat cortical membranes using 1 nM [3H]cytisine. Binding affiniti...				J Biol Chem 287: 4248-59 (2012) Article DOI: 10.1074/jbc.M111.292243 BindingDB Entry DOI: 10.7270/Q2J964Z5
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Rattus norvegicus (Rat))	BDBM50088453 (1-(6-Bromo-5-ethoxy-pyridin-3-yl)-[1,4]diazepane |...) Show SMILES CCOc1cc(cnc1Br)N1CCCNCC1 Show InChI InChI=1S/C12H18BrN3O/c1-2-17-11-8-10(9-15-12(11)13)16-6-3-4-14-5-7-16/h8-9,14H,2-7H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen					Assay Description Binding affinities for alpha 4 beta 2 nAChR were determined in tissue suspension of rat cortical membranes using 1 nM [3H]cytisine. Binding affiniti...				J Biol Chem 287: 4248-59 (2012) Article DOI: 10.1074/jbc.M111.292243 BindingDB Entry DOI: 10.7270/Q2J964Z5
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Rattus norvegicus (Rat))	BDBM50088454 (1-(6-Bromo-pyridin-3-yl)-[1,4]diazepane | 1-(6-bro...) Show SMILES Brc1ccc(cn1)N1CCCNCC1 Show InChI InChI=1S/C10H14BrN3/c11-10-3-2-9(8-13-10)14-6-1-4-12-5-7-14/h2-3,8,12H,1,4-7H2	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.320	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen					Assay Description Binding affinities for alpha 4 beta 2 nAChR were determined in tissue suspension of rat cortical membranes using 1 nM [3H]cytisine. Binding affiniti...				J Biol Chem 287: 4248-59 (2012) Article DOI: 10.1074/jbc.M111.292243 BindingDB Entry DOI: 10.7270/Q2J964Z5
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Rattus norvegicus (Rat))	BDBM50143314 ((+)-Epibatidine | (-)-epibatidine | (1R,2R,4S)-2-(...) Show SMILES Clc1ccc(cn1)[C@H]1C[C@@H]2CC[C@H]1N2 |THB:4:7:13:11.10| Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2/t8-,9+,10+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.330	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen					Assay Description Binding affinities for alpha 4 beta 2 nAChR were determined in tissue suspension of rat cortical membranes using 1 nM [3H]cytisine. Binding affiniti...				J Biol Chem 287: 4248-59 (2012) Article DOI: 10.1074/jbc.M111.292243 BindingDB Entry DOI: 10.7270/Q2J964Z5
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Rattus norvegicus (Rat))	BDBM92377 (NS3573, 2) Show SMILES CCOc1cncc(c1)N1CCCNCC1 Show InChI InChI=1S/C12H19N3O/c1-2-16-12-8-11(9-14-10-12)15-6-3-4-13-5-7-15/h8-10,13H,2-7H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	0.620	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen					Assay Description Binding affinities for alpha 4 beta 2 nAChR were determined in tissue suspension of rat cortical membranes using 1 nM [3H]cytisine. Binding affiniti...				J Biol Chem 287: 4248-59 (2012) Article DOI: 10.1074/jbc.M111.292243 BindingDB Entry DOI: 10.7270/Q2J964Z5
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Rattus norvegicus (Rat))	BDBM50088438 (1-(pyridin-3-yl)-1,4-diazepane | 1-Pyridin-3-yl-[1...) Show SMILES C1CNCCN(C1)c1cccnc1 Show InChI InChI=1S/C10H15N3/c1-3-10(9-12-4-1)13-7-2-5-11-6-8-13/h1,3-4,9,11H,2,5-8H2	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.720	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen					Assay Description Binding affinities for alpha 4 beta 2 nAChR were determined in tissue suspension of rat cortical membranes using 1 nM [3H]cytisine. Binding affiniti...				J Biol Chem 287: 4248-59 (2012) Article DOI: 10.1074/jbc.M111.292243 BindingDB Entry DOI: 10.7270/Q2J964Z5
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Rattus norvegicus (Rat))	BDBM50088437 (1-(5-Phenyl-pyridin-3-yl)-[1,4]diazepane | CHEMBL3...) Show SMILES C1CNCCN(C1)c1cncc(c1)-c1ccccc1 Show InChI InChI=1S/C16H19N3/c1-2-5-14(6-3-1)15-11-16(13-18-12-15)19-9-4-7-17-8-10-19/h1-3,5-6,11-13,17H,4,7-10H2	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen					Assay Description Binding affinities for alpha 4 beta 2 nAChR were determined in tissue suspension of rat cortical membranes using 1 nM [3H]cytisine. Binding affiniti...				J Biol Chem 287: 4248-59 (2012) Article DOI: 10.1074/jbc.M111.292243 BindingDB Entry DOI: 10.7270/Q2J964Z5
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Rattus norvegicus (Rat))	BDBM86311 (CAS_485-35-8 | Cytisine | Cytisine-(-) | NSC_22407...) Show SMILES O=c1cccc2C3CNCC(C3)Cn12 |THB:4:5:11:9.8.7| Show InChI InChI=1S/C11H14N2O/c14-11-3-1-2-10-9-4-8(5-12-6-9)7-13(10)11/h1-3,8-9,12H,4-7H2	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.950	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen					Assay Description Binding affinities for alpha 4 beta 2 nAChR were determined in tissue suspension of rat cortical membranes using 1 nM [3H]cytisine. Binding affiniti...				J Biol Chem 287: 4248-59 (2012) Article DOI: 10.1074/jbc.M111.292243 BindingDB Entry DOI: 10.7270/Q2J964Z5
					More data for this Ligand-Target Pair
Acetylcholine-binding protein (Lymnaea stagnalis)	BDBM50088454 (1-(6-Bromo-pyridin-3-yl)-[1,4]diazepane | 1-(6-bro...) Show SMILES Brc1ccc(cn1)N1CCCNCC1 Show InChI InChI=1S/C10H14BrN3/c11-10-3-2-9(8-13-10)14-6-1-4-12-5-7-14/h2-3,8,12H,1,4-7H2	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen					Assay Description Binding affinities for alpha 4 beta 2 nAChR were determined in tissue suspension of rat cortical membranes using 1 nM [3H]cytisine. Binding affiniti...				J Biol Chem 287: 4248-59 (2012) Article DOI: 10.1074/jbc.M111.292243 BindingDB Entry DOI: 10.7270/Q2J964Z5
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholine-binding protein (Lymnaea stagnalis)	BDBM92377 (NS3573, 2) Show SMILES CCOc1cncc(c1)N1CCCNCC1 Show InChI InChI=1S/C12H19N3O/c1-2-16-12-8-11(9-14-10-12)15-6-3-4-13-5-7-15/h8-10,13H,2-7H2,1H3	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen					Assay Description Binding affinities for alpha 4 beta 2 nAChR were determined in tissue suspension of rat cortical membranes using 1 nM [3H]cytisine. Binding affiniti...				J Biol Chem 287: 4248-59 (2012) Article DOI: 10.1074/jbc.M111.292243 BindingDB Entry DOI: 10.7270/Q2J964Z5
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholine-binding protein (Lymnaea stagnalis)	BDBM50088438 (1-(pyridin-3-yl)-1,4-diazepane | 1-Pyridin-3-yl-[1...) Show SMILES C1CNCCN(C1)c1cccnc1 Show InChI InChI=1S/C10H15N3/c1-3-10(9-12-4-1)13-7-2-5-11-6-8-13/h1,3-4,9,11H,2,5-8H2	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	3.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen					Assay Description Binding affinities for alpha 4 beta 2 nAChR were determined in tissue suspension of rat cortical membranes using 1 nM [3H]cytisine. Binding affiniti...				J Biol Chem 287: 4248-59 (2012) Article DOI: 10.1074/jbc.M111.292243 BindingDB Entry DOI: 10.7270/Q2J964Z5
					More data for this Ligand-Target Pair				3D Structure (crystal)
Coagulation factor XI (Homo sapiens (Human))	BDBM286012 ((E)-Methyl N-[8-({2-[5-chloro-2-(1H-1,2,3,4-tetraz...) Show SMILES Clc1ccc(c(CCNC(=O)[C@H]2CC=CCCC(=O)Nc3ccccc3C(=O)N2)c1)-n1cnnn1 |r,w:14.14| Show InChI InChI=1S/C24H24ClN7O3/c25-17-10-11-21(32-15-27-30-31-32)16(14-17)12-13-26-24(35)20-8-2-1-3-9-22(33)28-19-7-5-4-6-18(19)23(34)29-20/h1-2,4-7,10-11,14-15,20H,3,8-9,12-13H2,(H,26,35)(H,28,33)(H,29,34)/t20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<5	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The effectiveness of compounds of the present invention as inhibitors of the coagulation Factors XIa, VIIa, IXa, Xa, XIIa, plasma kallikrein or throm...				US Patent US10081623 (2018) BindingDB Entry DOI: 10.7270/Q24B33CM
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM286009 ((E/Z)-(+/-)-Methyl N-[8-({2-[5-chloro-2-(1H-1,2,3,...) Show SMILES COC(=O)Nc1ccc2c(NC(=O)CCC=CCC(NC2=O)C(=O)NCCc2cc(Cl)ccc2-n2cnnn2)c1 |w:15.14| Show InChI InChI=1S/C26H27ClN8O5/c1-40-26(39)30-18-8-9-19-21(14-18)31-23(36)6-4-2-3-5-20(32-24(19)37)25(38)28-12-11-16-13-17(27)7-10-22(16)35-15-29-33-34-35/h2-3,7-10,13-15,20H,4-6,11-12H2,1H3,(H,28,38)(H,30,39)(H,31,36)(H,32,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<5	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The effectiveness of compounds of the present invention as inhibitors of the coagulation Factors XIa, VIIa, IXa, Xa, XIIa, plasma kallikrein or throm...				US Patent US10081623 (2018) BindingDB Entry DOI: 10.7270/Q24B33CM
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM286021 ((E)-Methyl N-[8-({2-[5-chloro-2-(1H-1,2,3,4-tetraz...) Show SMILES COC(=O)Nc1ccc2c(NC(=O)CC(C)\C=C\C[C@@H](NC2=O)C(=O)NCCc2cc(Cl)ccc2-n2cnnn2)c1 |r,t:16| Show InChI InChI=1S/C27H29ClN8O5/c1-16-4-3-5-21(26(39)29-11-10-17-13-18(28)6-9-23(17)36-15-30-34-35-36)33-25(38)20-8-7-19(31-27(40)41-2)14-22(20)32-24(37)12-16/h3-4,6-9,13-16,21H,5,10-12H2,1-2H3,(H,29,39)(H,31,40)(H,32,37)(H,33,38)/b4-3+/t16?,21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<5	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The effectiveness of compounds of the present invention as inhibitors of the coagulation Factors XIa, VIIa, IXa, Xa, XIIa, plasma kallikrein or throm...				US Patent US10081623 (2018) BindingDB Entry DOI: 10.7270/Q24B33CM
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Rattus norvegicus (Rat))	BDBM50004108 ((+-)-nicotine | (R,S)-nicotine | (RS)-nicotine | 3...) Show SMILES CN1CCCC1c1cccnc1 Show InChI InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen					Assay Description Binding affinities for alpha 4 beta 2 nAChR were determined in tissue suspension of rat cortical membranes using 1 nM [3H]cytisine. Binding affiniti...				J Biol Chem 287: 4248-59 (2012) Article DOI: 10.1074/jbc.M111.292243 BindingDB Entry DOI: 10.7270/Q2J964Z5
					More data for this Ligand-Target Pair				3D Structure (crystal)
Coagulation factor XI (Homo sapiens (Human))	BDBM286020 ((E)-(+/-)-Methyl N-[8-({2-[5-chloro-2-(1H-1,2,3,4-...) Show SMILES COC(=O)Nc1ccc2c(NC(=O)CC(C)\C=C\CC(NC2=O)C(=O)NCCc2cc(Cl)ccc2-n2cnnn2)c1 |t:16| Show InChI InChI=1S/C27H29ClN8O5/c1-16-4-3-5-21(26(39)29-11-10-17-13-18(28)6-9-23(17)36-15-30-34-35-36)33-25(38)20-8-7-19(31-27(40)41-2)14-22(20)32-24(37)12-16/h3-4,6-9,13-16,21H,5,10-12H2,1-2H3,(H,29,39)(H,31,40)(H,32,37)(H,33,38)/b4-3+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	6.24	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The effectiveness of compounds of the present invention as inhibitors of the coagulation Factors XIa, VIIa, IXa, Xa, XIIa, plasma kallikrein or throm...				US Patent US10081623 (2018) BindingDB Entry DOI: 10.7270/Q24B33CM
					More data for this Ligand-Target Pair
Acetylcholine-binding protein (Lymnaea stagnalis)	BDBM86311 (CAS_485-35-8 | Cytisine | Cytisine-(-) | NSC_22407...) Show SMILES O=c1cccc2C3CNCC(C3)Cn12 |THB:4:5:11:9.8.7| Show InChI InChI=1S/C11H14N2O/c14-11-3-1-2-10-9-4-8(5-12-6-9)7-13(10)11/h1-3,8-9,12H,4-7H2	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	8.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen					Assay Description Binding affinities for alpha 4 beta 2 nAChR were determined in tissue suspension of rat cortical membranes using 1 nM [3H]cytisine. Binding affiniti...				J Biol Chem 287: 4248-59 (2012) Article DOI: 10.1074/jbc.M111.292243 BindingDB Entry DOI: 10.7270/Q2J964Z5
					More data for this Ligand-Target Pair
Acetylcholine-binding protein (Lymnaea stagnalis)	BDBM50088437 (1-(5-Phenyl-pyridin-3-yl)-[1,4]diazepane | CHEMBL3...) Show SMILES C1CNCCN(C1)c1cncc(c1)-c1ccccc1 Show InChI InChI=1S/C16H19N3/c1-2-5-14(6-3-1)15-11-16(13-18-12-15)19-9-4-7-17-8-10-19/h1-3,5-6,11-13,17H,4,7-10H2	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	8.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen					Assay Description Binding affinities for alpha 4 beta 2 nAChR were determined in tissue suspension of rat cortical membranes using 1 nM [3H]cytisine. Binding affiniti...				J Biol Chem 287: 4248-59 (2012) Article DOI: 10.1074/jbc.M111.292243 BindingDB Entry DOI: 10.7270/Q2J964Z5
					More data for this Ligand-Target Pair				3D Structure (crystal)
Coagulation factor XI (Homo sapiens (Human))	BDBM286008 (US10081623, Example 21) Show SMILES COC(=O)Nc1ccc2c(NC(=O)[C@@H](C)CCCC[C@H](NC2=O)C(=O)NCCc2cc(Cl)ccc2-n2cnnn2)c1 |r| Show InChI InChI=1S/C27H31ClN8O5/c1-16-5-3-4-6-21(26(39)29-12-11-17-13-18(28)7-10-23(17)36-15-30-34-35-36)32-25(38)20-9-8-19(31-27(40)41-2)14-22(20)33-24(16)37/h7-10,13-16,21H,3-6,11-12H2,1-2H3,(H,29,39)(H,31,40)(H,32,38)(H,33,37)/t16-,21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	14.1	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The effectiveness of compounds of the present invention as inhibitors of the coagulation Factors XIa, VIIa, IXa, Xa, XIIa, plasma kallikrein or throm...				US Patent US10081623 (2018) BindingDB Entry DOI: 10.7270/Q24B33CM
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM286019 ((Z)-(+/-)-Methyl N-[8-({2-[5-chloro-2-(1H-1,2,3,4-...) Show SMILES COC(=O)Nc1ccc2c(NC(=O)CC(C)\C=C/CC(NC2=O)C(=O)NCCc2cc(Cl)ccc2-n2cnnn2)c1 |c:16| Show InChI InChI=1S/C27H29ClN8O5/c1-16-4-3-5-21(26(39)29-11-10-17-13-18(28)6-9-23(17)36-15-30-34-35-36)33-25(38)20-8-7-19(31-27(40)41-2)14-22(20)32-24(37)12-16/h3-4,6-9,13-16,21H,5,10-12H2,1-2H3,(H,29,39)(H,31,40)(H,32,37)(H,33,38)/b4-3-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	17.4	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The effectiveness of compounds of the present invention as inhibitors of the coagulation Factors XIa, VIIa, IXa, Xa, XIIa, plasma kallikrein or throm...				US Patent US10081623 (2018) BindingDB Entry DOI: 10.7270/Q24B33CM
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM285988 ((+/-)-Methyl N-[8-({2-[5-chloro-2-(1H-1,2,3,4-tetr...) Show SMILES COC(=O)Nc1ccc2c(NC(=O)CCCCCC(NC2=O)C(=O)NCCc2cc(Cl)ccc2-n2cnnn2)c1 Show InChI InChI=1S/C26H29ClN8O5/c1-40-26(39)30-18-8-9-19-21(14-18)31-23(36)6-4-2-3-5-20(32-24(19)37)25(38)28-12-11-16-13-17(27)7-10-22(16)35-15-29-33-34-35/h7-10,13-15,20H,2-6,11-12H2,1H3,(H,28,38)(H,30,39)(H,31,36)(H,32,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	17.9	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The effectiveness of compounds of the present invention as inhibitors of the coagulation Factors XIa, VIIa, IXa, Xa, XIIa, plasma kallikrein or throm...				US Patent US10081623 (2018) BindingDB Entry DOI: 10.7270/Q24B33CM
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50143314 ((+)-Epibatidine | (-)-epibatidine | (1R,2R,4S)-2-(...) Show SMILES Clc1ccc(cn1)[C@H]1C[C@@H]2CC[C@H]1N2 |THB:4:7:13:11.10| Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2/t8-,9+,10+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen					Assay Description Binding affinities for alpha 4 beta 2 nAChR were determined in tissue suspension of rat cortical membranes using 1 nM [3H]cytisine. Binding affiniti...				J Biol Chem 287: 4248-59 (2012) Article DOI: 10.1074/jbc.M111.292243 BindingDB Entry DOI: 10.7270/Q2J964Z5
					More data for this Ligand-Target Pair				3D Structure (crystal)
Coagulation factor XI (Homo sapiens (Human))	BDBM286000 (US10081623, Example 13) Show SMILES COC(=O)Nc1ccc2c(NC(=O)C[C@@H](C)CCC[C@@H](NC2=O)C(=O)NCCc2cc(Cl)ccc2-n2cnnn2)c1 |r| Show InChI InChI=1S/C27H31ClN8O5/c1-16-4-3-5-21(26(39)29-11-10-17-13-18(28)6-9-23(17)36-15-30-34-35-36)33-25(38)20-8-7-19(31-27(40)41-2)14-22(20)32-24(37)12-16/h6-9,13-16,21H,3-5,10-12H2,1-2H3,(H,29,39)(H,31,40)(H,32,37)(H,33,38)/t16-,21+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	34.3	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The effectiveness of compounds of the present invention as inhibitors of the coagulation Factors XIa, VIIa, IXa, Xa, XIIa, plasma kallikrein or throm...				US Patent US10081623 (2018) BindingDB Entry DOI: 10.7270/Q24B33CM
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM286014 ((E/Z)-(+/-)-N-{2-[5-Chloro-2-(1H-1,2,3,4-tetrazol-...) Show SMILES Clc1ccc(c(CCNC(=O)C2CC=CCCC(=O)Nc3ccccc3C(=O)N2)c1)-n1cnnn1 |w:14.14| Show InChI InChI=1S/C24H24ClN7O3/c25-17-10-11-21(32-15-27-30-31-32)16(14-17)12-13-26-24(35)20-8-2-1-3-9-22(33)28-19-7-5-4-6-18(19)23(34)29-20/h1-2,4-7,10-11,14-15,20H,3,8-9,12-13H2,(H,26,35)(H,28,33)(H,29,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	39.1	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The effectiveness of compounds of the present invention as inhibitors of the coagulation Factors XIa, VIIa, IXa, Xa, XIIa, plasma kallikrein or throm...				US Patent US10081623 (2018) BindingDB Entry DOI: 10.7270/Q24B33CM
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM285990 (Methyl N-[8-({2-[5-chloro-2-(1H-1,2,3,4-tetrazol-1...) Show SMILES COC(=O)Nc1ccc2c(NC(=O)CCCCC[C@@H](NC2=O)C(=O)NCCc2cc(Cl)ccc2-n2cnnn2)c1 |r| Show InChI InChI=1S/C26H29ClN8O5/c1-40-26(39)30-18-8-9-19-21(14-18)31-23(36)6-4-2-3-5-20(32-24(19)37)25(38)28-12-11-16-13-17(27)7-10-22(16)35-15-29-33-34-35/h7-10,13-15,20H,2-6,11-12H2,1H3,(H,28,38)(H,30,39)(H,31,36)(H,32,37)/t20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	41.9	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The effectiveness of compounds of the present invention as inhibitors of the coagulation Factors XIa, VIIa, IXa, Xa, XIIa, plasma kallikrein or throm...				US Patent US10081623 (2018) BindingDB Entry DOI: 10.7270/Q24B33CM
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM286005 (Methyl N-[8-({2-[5-chloro-2-(1H-1,2,3,4-tetrazol-1...) Show SMILES COC(=O)Nc1ccc2c(NC(=O)[C@H](C)CCCC[C@@H](NC2=O)C(=O)NCCc2cc(Cl)ccc2-n2cnnn2)c1 |r| Show InChI InChI=1S/C27H31ClN8O5/c1-16-5-3-4-6-21(26(39)29-12-11-17-13-18(28)7-10-23(17)36-15-30-34-35-36)32-25(38)20-9-8-19(31-27(40)41-2)14-22(20)33-24(16)37/h7-10,13-16,21H,3-6,11-12H2,1-2H3,(H,29,39)(H,31,40)(H,32,38)(H,33,37)/t16-,21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	54.3	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The effectiveness of compounds of the present invention as inhibitors of the coagulation Factors XIa, VIIa, IXa, Xa, XIIa, plasma kallikrein or throm...				US Patent US10081623 (2018) BindingDB Entry DOI: 10.7270/Q24B33CM
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM286013 (US10081623, Example 26) Show SMILES Clc1ccc(c(CCNC(=O)[C@@H]2CC=CCCC(=O)Nc3ccccc3C(=O)N2)c1)-n1cnnn1 |r,w:14.14| Show InChI InChI=1S/C24H24ClN7O3/c25-17-10-11-21(32-15-27-30-31-32)16(14-17)12-13-26-24(35)20-8-2-1-3-9-22(33)28-19-7-5-4-6-18(19)23(34)29-20/h1-2,4-7,10-11,14-15,20H,3,8-9,12-13H2,(H,26,35)(H,28,33)(H,29,34)/t20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	64.1	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The effectiveness of compounds of the present invention as inhibitors of the coagulation Factors XIa, VIIa, IXa, Xa, XIIa, plasma kallikrein or throm...				US Patent US10081623 (2018) BindingDB Entry DOI: 10.7270/Q24B33CM
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM286003 ((+/-)-Methyl N-[8-({2-[5-chloro-2-(1H-1,2,3,4-tetr...) Show SMILES COC(=O)Nc1ccc2c(NC(=O)C(C)CCCC[C@@H](NC2=O)C(=O)NCCc2cc(Cl)ccc2-n2cnnn2)c1 |r| Show InChI InChI=1S/C27H31ClN8O5/c1-16-5-3-4-6-21(26(39)29-12-11-17-13-18(28)7-10-23(17)36-15-30-34-35-36)32-25(38)20-9-8-19(31-27(40)41-2)14-22(20)33-24(16)37/h7-10,13-16,21H,3-6,11-12H2,1-2H3,(H,29,39)(H,31,40)(H,32,38)(H,33,37)/t16?,21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	73.2	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The effectiveness of compounds of the present invention as inhibitors of the coagulation Factors XIa, VIIa, IXa, Xa, XIIa, plasma kallikrein or throm...				US Patent US10081623 (2018) BindingDB Entry DOI: 10.7270/Q24B33CM
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM285998 ( (+/-)-Methyl N-[8-({2-[5-chloro-2-(1H-1,2,3,4-tet...) Show SMILES COC(=O)Nc1ccc2c(NC(=O)CC(C)CCCC(NC2=O)C(=O)NCCc2cc(Cl)ccc2-n2cnnn2)c1 Show InChI InChI=1S/C27H31ClN8O5/c1-16-4-3-5-21(26(39)29-11-10-17-13-18(28)6-9-23(17)36-15-30-34-35-36)33-25(38)20-8-7-19(31-27(40)41-2)14-22(20)32-24(37)12-16/h6-9,13-16,21H,3-5,10-12H2,1-2H3,(H,29,39)(H,31,40)(H,32,37)(H,33,38)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	73.6	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The effectiveness of compounds of the present invention as inhibitors of the coagulation Factors XIa, VIIa, IXa, Xa, XIIa, plasma kallikrein or throm...				US Patent US10081623 (2018) BindingDB Entry DOI: 10.7270/Q24B33CM
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM285999 (Methyl N-[8-({2-[5-chloro-2-(1H-1,2,3,4-tetrazol-1...) Show SMILES COC(=O)Nc1ccc2c(NC(=O)C[C@@H](C)CCC[C@H](NC2=O)C(=O)NCCc2cc(Cl)ccc2-n2cnnn2)c1 |r| Show InChI InChI=1S/C27H31ClN8O5/c1-16-4-3-5-21(26(39)29-11-10-17-13-18(28)6-9-23(17)36-15-30-34-35-36)33-25(38)20-8-7-19(31-27(40)41-2)14-22(20)32-24(37)12-16/h6-9,13-16,21H,3-5,10-12H2,1-2H3,(H,29,39)(H,31,40)(H,32,37)(H,33,38)/t16-,21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	81.8	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The effectiveness of compounds of the present invention as inhibitors of the coagulation Factors XIa, VIIa, IXa, Xa, XIIa, plasma kallikrein or throm...				US Patent US10081623 (2018) BindingDB Entry DOI: 10.7270/Q24B33CM
					More data for this Ligand-Target Pair
Acetylcholine-binding protein (Lymnaea stagnalis)	BDBM50004108 ((+-)-nicotine | (R,S)-nicotine | (RS)-nicotine | 3...) Show SMILES CN1CCCC1c1cccnc1 Show InChI InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	83	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen					Assay Description Binding affinities for alpha 4 beta 2 nAChR were determined in tissue suspension of rat cortical membranes using 1 nM [3H]cytisine. Binding affiniti...				J Biol Chem 287: 4248-59 (2012) Article DOI: 10.1074/jbc.M111.292243 BindingDB Entry DOI: 10.7270/Q2J964Z5
					More data for this Ligand-Target Pair				3D Structure (crystal)
Coagulation factor XI (Homo sapiens (Human))	BDBM286004 (US10081623, Example 17) Show SMILES COC(=O)Nc1ccc2c(NC(=O)C(C)CCCC[C@H](NC2=O)C(=O)NCCc2cc(Cl)ccc2-n2cnnn2)c1 |r| Show InChI InChI=1S/C27H31ClN8O5/c1-16-5-3-4-6-21(26(39)29-12-11-17-13-18(28)7-10-23(17)36-15-30-34-35-36)32-25(38)20-9-8-19(31-27(40)41-2)14-22(20)33-24(16)37/h7-10,13-16,21H,3-6,11-12H2,1-2H3,(H,29,39)(H,31,40)(H,32,38)(H,33,37)/t16?,21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	104	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The effectiveness of compounds of the present invention as inhibitors of the coagulation Factors XIa, VIIa, IXa, Xa, XIIa, plasma kallikrein or throm...				US Patent US10081623 (2018) BindingDB Entry DOI: 10.7270/Q24B33CM
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50088438 (1-(pyridin-3-yl)-1,4-diazepane | 1-Pyridin-3-yl-[1...) Show SMILES C1CNCCN(C1)c1cccnc1 Show InChI InChI=1S/C10H15N3/c1-3-10(9-12-4-1)13-7-2-5-11-6-8-13/h1,3-4,9,11H,2,5-8H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	136	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen					Assay Description Binding affinities for alpha 4 beta 2 nAChR were determined in tissue suspension of rat cortical membranes using 1 nM [3H]cytisine. Binding affiniti...				J Biol Chem 287: 4248-59 (2012) Article DOI: 10.1074/jbc.M111.292243 BindingDB Entry DOI: 10.7270/Q2J964Z5
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM286011 (US10081623, Example 24) Show SMILES COC(=O)Nc1ccc2c(NC(=O)CC\C=C\C[C@H](NC2=O)C(=O)NCCc2cc(Cl)ccc2-n2cnnn2)c1 |r,t:15| Show InChI InChI=1S/C26H27ClN8O5/c1-40-26(39)30-18-8-9-19-21(14-18)31-23(36)6-4-2-3-5-20(32-24(19)37)25(38)28-12-11-16-13-17(27)7-10-22(16)35-15-29-33-34-35/h2-3,7-10,13-15,20H,4-6,11-12H2,1H3,(H,28,38)(H,30,39)(H,31,36)(H,32,37)/b3-2+/t20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	153	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The effectiveness of compounds of the present invention as inhibitors of the coagulation Factors XIa, VIIa, IXa, Xa, XIIa, plasma kallikrein or throm...				US Patent US10081623 (2018) BindingDB Entry DOI: 10.7270/Q24B33CM
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM286010 ( (Z)-Methyl N-[8-({2-[5-chloro-2-(1H-1,2,3,4-tetra...) Show SMILES COC(=O)Nc1ccc2c(NC(=O)CC\C=C\C[C@@H](NC2=O)C(=O)NCCc2cc(Cl)ccc2-n2cnnn2)c1 |r,t:15| Show InChI InChI=1S/C26H27ClN8O5/c1-40-26(39)30-18-8-9-19-21(14-18)31-23(36)6-4-2-3-5-20(32-24(19)37)25(38)28-12-11-16-13-17(27)7-10-22(16)35-15-29-33-34-35/h2-3,7-10,13-15,20H,4-6,11-12H2,1H3,(H,28,38)(H,30,39)(H,31,36)(H,32,37)/b3-2+/t20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	157	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The effectiveness of compounds of the present invention as inhibitors of the coagulation Factors XIa, VIIa, IXa, Xa, XIIa, plasma kallikrein or throm...				US Patent US10081623 (2018) BindingDB Entry DOI: 10.7270/Q24B33CM
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50004108 ((+-)-nicotine | (R,S)-nicotine | (RS)-nicotine | 3...) Show SMILES CN1CCCC1c1cccnc1 Show InChI InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen					Assay Description Binding affinities for alpha 4 beta 2 nAChR were determined in tissue suspension of rat cortical membranes using 1 nM [3H]cytisine. Binding affiniti...				J Biol Chem 287: 4248-59 (2012) Article DOI: 10.1074/jbc.M111.292243 BindingDB Entry DOI: 10.7270/Q2J964Z5
					More data for this Ligand-Target Pair				3D Structure (crystal)
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50088454 (1-(6-Bromo-pyridin-3-yl)-[1,4]diazepane | 1-(6-bro...) Show SMILES Brc1ccc(cn1)N1CCCNCC1 Show InChI InChI=1S/C10H14BrN3/c11-10-3-2-9(8-13-10)14-6-1-4-12-5-7-14/h2-3,8,12H,1,4-7H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen					Assay Description Binding affinities for alpha 4 beta 2 nAChR were determined in tissue suspension of rat cortical membranes using 1 nM [3H]cytisine. Binding affiniti...				J Biol Chem 287: 4248-59 (2012) Article DOI: 10.1074/jbc.M111.292243 BindingDB Entry DOI: 10.7270/Q2J964Z5
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM286022 (US10081623, Example 35) Show SMILES COC(=O)Nc1ccc2c(NC(=O)CC(C)\C=C\C[C@H](NC2=O)C(=O)NCCc2cc(Cl)ccc2-n2cnnn2)c1 |r,t:16| Show InChI InChI=1S/C27H29ClN8O5/c1-16-4-3-5-21(26(39)29-11-10-17-13-18(28)6-9-23(17)36-15-30-34-35-36)33-25(38)20-8-7-19(31-27(40)41-2)14-22(20)32-24(37)12-16/h3-4,6-9,13-16,21H,5,10-12H2,1-2H3,(H,29,39)(H,31,40)(H,32,37)(H,33,38)/b4-3+/t16?,21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	216	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The effectiveness of compounds of the present invention as inhibitors of the coagulation Factors XIa, VIIa, IXa, Xa, XIIa, plasma kallikrein or throm...				US Patent US10081623 (2018) BindingDB Entry DOI: 10.7270/Q24B33CM
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM86311 (CAS_485-35-8 | Cytisine | Cytisine-(-) | NSC_22407...) Show SMILES O=c1cccc2C3CNCC(C3)Cn12 |THB:4:5:11:9.8.7| Show InChI InChI=1S/C11H14N2O/c14-11-3-1-2-10-9-4-8(5-12-6-9)7-13(10)11/h1-3,8-9,12H,4-7H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	295	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen					Assay Description Binding affinities for alpha 4 beta 2 nAChR were determined in tissue suspension of rat cortical membranes using 1 nM [3H]cytisine. Binding affiniti...				J Biol Chem 287: 4248-59 (2012) Article DOI: 10.1074/jbc.M111.292243 BindingDB Entry DOI: 10.7270/Q2J964Z5
					More data for this Ligand-Target Pair
Botulinum neurotoxin type A (Clostridium botulinum)	BDBM23274 ((2E)-3-(2,4-dichlorophenyl)-N-hydroxyprop-2-enamid...) Show SMILES ONC(=O)\C=C\c1ccc(Cl)cc1Cl Show InChI InChI=1S/C9H7Cl2NO2/c10-7-3-1-6(8(11)5-7)2-4-9(13)12-14/h1-5,14H,(H,12,13)/b4-2+	PDB MMDB NCI pathway Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Clostridium botulinum BoNT/A using SNAP-25 (141-206) as substrate by HPLC analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01006 BindingDB Entry DOI: 10.7270/Q2WD446P
					More data for this Ligand-Target Pair				3D Structure (crystal)
Botulinum neurotoxin type A (Clostridium botulinum)	BDBM23274 ((2E)-3-(2,4-dichlorophenyl)-N-hydroxyprop-2-enamid...) Show SMILES ONC(=O)\C=C\c1ccc(Cl)cc1Cl Show InChI InChI=1S/C9H7Cl2NO2/c10-7-3-1-6(8(11)5-7)2-4-9(13)12-14/h1-5,14H,(H,12,13)/b4-2+	PDB MMDB NCI pathway Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Clostridium botulinum BoNT/A light chain				Citation and Details Article DOI: 10.1039/d1md00089f BindingDB Entry DOI: 10.7270/Q24T6P2K
					More data for this Ligand-Target Pair				3D Structure (crystal)
Coagulation factor XI (Homo sapiens (Human))	BDBM286001 (US10081623, Example 14) Show SMILES COC(=O)Nc1ccc2c(NC(=O)C[C@H](C)CCC[C@@H](NC2=O)C(=O)NCCc2cc(Cl)ccc2-n2cnnn2)c1 |r| Show InChI InChI=1S/C27H31ClN8O5/c1-16-4-3-5-21(26(39)29-11-10-17-13-18(28)6-9-23(17)36-15-30-34-35-36)33-25(38)20-8-7-19(31-27(40)41-2)14-22(20)32-24(37)12-16/h6-9,13-16,21H,3-5,10-12H2,1-2H3,(H,29,39)(H,31,40)(H,32,37)(H,33,38)/t16-,21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	336	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The effectiveness of compounds of the present invention as inhibitors of the coagulation Factors XIa, VIIa, IXa, Xa, XIIa, plasma kallikrein or throm...				US Patent US10081623 (2018) BindingDB Entry DOI: 10.7270/Q24B33CM
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM286015 ((+/-)-N-{2-[5-Chloro-2-(1H-1,2,3,4-tetrazol-1-yl)p...) Show SMILES Clc1ccc(c(CCNC(=O)C2CCCCCC(=O)Nc3ccccc3C(=O)N2)c1)-n1cnnn1 Show InChI InChI=1S/C24H26ClN7O3/c25-17-10-11-21(32-15-27-30-31-32)16(14-17)12-13-26-24(35)20-8-2-1-3-9-22(33)28-19-7-5-4-6-18(19)23(34)29-20/h4-7,10-11,14-15,20H,1-3,8-9,12-13H2,(H,26,35)(H,28,33)(H,29,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	338	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The effectiveness of compounds of the present invention as inhibitors of the coagulation Factors XIa, VIIa, IXa, Xa, XIIa, plasma kallikrein or throm...				US Patent US10081623 (2018) BindingDB Entry DOI: 10.7270/Q24B33CM
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM286006 (US10081623, Example 19) Show SMILES COC(=O)Nc1ccc2c(NC(=O)[C@H](C)CCCC[C@H](NC2=O)C(=O)NCCc2cc(Cl)ccc2-n2cnnn2)c1 |r| Show InChI InChI=1S/C27H31ClN8O5/c1-16-5-3-4-6-21(26(39)29-12-11-17-13-18(28)7-10-23(17)36-15-30-34-35-36)32-25(38)20-9-8-19(31-27(40)41-2)14-22(20)33-24(16)37/h7-10,13-16,21H,3-6,11-12H2,1-2H3,(H,29,39)(H,31,40)(H,32,38)(H,33,37)/t16-,21+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	596	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The effectiveness of compounds of the present invention as inhibitors of the coagulation Factors XIa, VIIa, IXa, Xa, XIIa, plasma kallikrein or throm...				US Patent US10081623 (2018) BindingDB Entry DOI: 10.7270/Q24B33CM
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM285993 ((+/-)-Methyl N-(8-{[2-(1-carbamimidoylpiperidin-4-...) Show SMILES COC(=O)Nc1ccc2c(NC(=O)CCCCCC(NC2=O)C(=O)NCCC2CCN(CC2)C(N)=N)c1 Show InChI InChI=1S/C25H37N7O5/c1-37-25(36)29-17-7-8-18-20(15-17)30-21(33)6-4-2-3-5-19(31-22(18)34)23(35)28-12-9-16-10-13-32(14-11-16)24(26)27/h7-8,15-16,19H,2-6,9-14H2,1H3,(H3,26,27)(H,28,35)(H,29,36)(H,30,33)(H,31,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	627	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The effectiveness of compounds of the present invention as inhibitors of the coagulation Factors XIa, VIIa, IXa, Xa, XIIa, plasma kallikrein or throm...				US Patent US10081623 (2018) BindingDB Entry DOI: 10.7270/Q24B33CM
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM285994 ((+/-)-Methyl N-{2,10-dioxo-8-[(2-oxo-1,2,3,4-tetra...) Show SMILES COC(=O)Nc1ccc2c(NC(=O)CCCCCC(NC2=O)C(=O)NC2Cc3ccccc3NC2=O)c1 Show InChI InChI=1S/C26H29N5O6/c1-37-26(36)27-16-11-12-17-20(14-16)28-22(32)10-4-2-3-9-19(30-23(17)33)24(34)31-21-13-15-7-5-6-8-18(15)29-25(21)35/h5-8,11-12,14,19,21H,2-4,9-10,13H2,1H3,(H,27,36)(H,28,32)(H,29,35)(H,30,33)(H,31,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	708	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The effectiveness of compounds of the present invention as inhibitors of the coagulation Factors XIa, VIIa, IXa, Xa, XIIa, plasma kallikrein or throm...				US Patent US10081623 (2018) BindingDB Entry DOI: 10.7270/Q24B33CM
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM286018 ((E)-(+/-)-N-(1-Carbamimidoylpiperidin-4-yl)-2,10-d...) Show SMILES NC(=N)N1CCC(CC1)NC(=O)[C@@H]1C\C=C\CCC(=O)Nc2ccccc2C(=O)N1 |r,t:15| Show InChI InChI=1S/C21H28N6O3/c22-21(23)27-12-10-14(11-13-27)24-20(30)17-8-2-1-3-9-18(28)25-16-7-5-4-6-15(16)19(29)26-17/h1-2,4-7,14,17H,3,8-13H2,(H3,22,23)(H,24,30)(H,25,28)(H,26,29)/b2-1+/t17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	811	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The effectiveness of compounds of the present invention as inhibitors of the coagulation Factors XIa, VIIa, IXa, Xa, XIIa, plasma kallikrein or throm...				US Patent US10081623 (2018) BindingDB Entry DOI: 10.7270/Q24B33CM
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM286002 (US10081623, Example 15) Show SMILES COC(=O)Nc1ccc2c(NC(=O)C[C@H](C)CCC[C@H](NC2=O)C(=O)NCCc2cc(Cl)ccc2-n2cnnn2)c1 |r| Show InChI InChI=1S/C27H31ClN8O5/c1-16-4-3-5-21(26(39)29-11-10-17-13-18(28)6-9-23(17)36-15-30-34-35-36)33-25(38)20-8-7-19(31-27(40)41-2)14-22(20)32-24(37)12-16/h6-9,13-16,21H,3-5,10-12H2,1-2H3,(H,29,39)(H,31,40)(H,32,37)(H,33,38)/t16-,21+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	812	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The effectiveness of compounds of the present invention as inhibitors of the coagulation Factors XIa, VIIa, IXa, Xa, XIIa, plasma kallikrein or throm...				US Patent US10081623 (2018) BindingDB Entry DOI: 10.7270/Q24B33CM
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM285992 ((+/-)-Methyl N-(8-{[(1-carbamimidoylpiperidin-4-yl...) Show SMILES COC(=O)Nc1ccc2c(NC(=O)CCCCCC(NC2=O)C(=O)NCC2CCN(CC2)C(N)=N)c1 Show InChI InChI=1S/C24H35N7O5/c1-36-24(35)28-16-7-8-17-19(13-16)29-20(32)6-4-2-3-5-18(30-21(17)33)22(34)27-14-15-9-11-31(12-10-15)23(25)26/h7-8,13,15,18H,2-6,9-12,14H2,1H3,(H3,25,26)(H,27,34)(H,28,35)(H,29,32)(H,30,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	825	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The effectiveness of compounds of the present invention as inhibitors of the coagulation Factors XIa, VIIa, IXa, Xa, XIIa, plasma kallikrein or throm...				US Patent US10081623 (2018) BindingDB Entry DOI: 10.7270/Q24B33CM
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 329 total )  |  Next  |  Last  >>

Jump to: