Compile Data Set for Download or QSAR

Found 1247 hits with Last Name = 'kim' and Initial = 'sw'   

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
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI [9-251] (Staphylococcus aureus)	BDBM97445 (PT119) Show SMILES CCCCCCc1ccc(Oc2ccccc2C#N)c(O)c1 Show InChI InChI=1S/C19H21NO2/c1-2-3-4-5-8-15-11-12-19(17(21)13-15)22-18-10-7-6-9-16(18)14-20/h6-7,9-13,21H,2-5,8H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	0.0100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Stony Brook University Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus enoyl ACP reductase				Eur J Med Chem 88: 66-73 (2014) Article DOI: 10.1016/j.ejmech.2014.09.008 BindingDB Entry DOI: 10.7270/Q25T3N3S
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prothrombin (Homo sapiens (Human))	BDBM50069294 ((S)-3-[4-(carbohydrazonamidol)-phenyl]-N-cyclopent...) Show SMILES CN(C1CCCC1)C(=O)[C@H](Cc1ccc(cc1)C(N)=NN)NS(=O)(=O)c1ccc2ccccc2c1 |w:19.21| Show InChI InChI=1S/C26H31N5O3S/c1-31(22-8-4-5-9-22)26(32)24(16-18-10-12-20(13-11-18)25(27)29-28)30-35(33,34)23-15-14-19-6-2-3-7-21(19)17-23/h2-3,6-7,10-15,17,22,24,30H,4-5,8-9,16,28H2,1H3,(H2,27,29)/t24-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.380	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biotech Research Institute Curated by ChEMBL					Assay Description Binding affinity towards human thrombin				Bioorg Med Chem Lett 8: 2563-8 (1999) BindingDB Entry DOI: 10.7270/Q20Z72FK
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM50426499 (CHEMBL2323581) Show SMILES COC(OC)[C@@H]1C[C@H]2[C@@H](Cc3cn(C)c4cccc2c34)N(C)C1 |r| Show InChI InChI=1S/C19H26N2O2/c1-20-10-12-9-17-15(14-6-5-7-16(20)18(12)14)8-13(11-21(17)2)19(22-3)23-4/h5-7,10,13,15,17,19H,8-9,11H2,1-4H3/t13-,15-,17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.540	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Displacement of [125I](+/-)DOI from human 5-HT2B receptor trasfected in CHO cell membrane after 60 mins by scintillation counting analysis				ACS Med Chem Lett 4: 254-258 (2013) Article DOI: 10.1021/ml3003814 BindingDB Entry DOI: 10.7270/Q2S183T4
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM50426500 (CHEMBL2323580) Show SMILES CN(C)CCCNC(=O)[C@@H]1C[C@H]2[C@@H](Cc3cn(C)c4cccc2c34)N(C)C1 |r| Show InChI InChI=1S/C22H32N4O/c1-24(2)10-6-9-23-22(27)16-11-18-17-7-5-8-19-21(17)15(13-25(19)3)12-20(18)26(4)14-16/h5,7-8,13,16,18,20H,6,9-12,14H2,1-4H3,(H,23,27)/t16-,18-,20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.970	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Displacement of [125I](+/-)DOI from human 5-HT2B receptor trasfected in CHO cell membrane after 60 mins by scintillation counting analysis				ACS Med Chem Lett 4: 254-258 (2013) Article DOI: 10.1021/ml3003814 BindingDB Entry DOI: 10.7270/Q2S183T4
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM50426498 (1,6-Dimethylcabergoline | CHEMBL2323579) Show SMILES CCNC(=O)N(CCCN(C)C)C(=O)[C@@H]1C[C@H]2[C@@H](Cc3cn(C)c4cccc2c34)N(C)C1 |r| Show InChI InChI=1S/C25H37N5O2/c1-6-26-25(32)30(12-8-11-27(2)3)24(31)18-13-20-19-9-7-10-21-23(19)17(15-28(21)4)14-22(20)29(5)16-18/h7,9-10,15,18,20,22H,6,8,11-14,16H2,1-5H3,(H,26,32)/t18-,20-,22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Displacement of [125I](+/-)DOI from human 5-HT2B receptor trasfected in CHO cell membrane after 60 mins by scintillation counting analysis				ACS Med Chem Lett 4: 254-258 (2013) Article DOI: 10.1021/ml3003814 BindingDB Entry DOI: 10.7270/Q2S183T4
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM50426497 (CABERGOLINE | Dostinex | FCE-21336) Show SMILES CCNC(=O)N(CCCN(C)C)C(=O)[C@@H]1C[C@H]2[C@@H](Cc3c[nH]c4cccc2c34)N(CC=C)C1 |r| Show InChI InChI=1S/C26H37N5O2/c1-5-11-30-17-19(25(32)31(26(33)27-6-2)13-8-12-29(3)4)14-21-20-9-7-10-22-24(20)18(16-28-22)15-23(21)30/h5,7,9-10,16,19,21,23,28H,1,6,8,11-15,17H2,2-4H3,(H,27,33)/t19-,21-,23-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem Similars	DrugBank Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Displacement of [125I](+/-)DOI from human 5-HT2B receptor trasfected in CHO cell membrane after 60 mins by scintillation counting analysis				ACS Med Chem Lett 4: 254-258 (2013) Article DOI: 10.1021/ml3003814 BindingDB Entry DOI: 10.7270/Q2S183T4
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM50070181 (1-(3-Dimethylamino-propyl)-3-ethyl-1-((6aR,9R,10aR...) Show SMILES CCNC(=O)N(CCCN(C)C)C(=O)[C@@H]1C[C@H]2[C@@H](Cc3c[nH]c4cccc2c34)N(C)C1 Show InChI InChI=1S/C24H35N5O2/c1-5-25-24(31)29(11-7-10-27(2)3)23(30)17-12-19-18-8-6-9-20-22(18)16(14-26-20)13-21(19)28(4)15-17/h6,8-9,14,17,19,21,26H,5,7,10-13,15H2,1-4H3,(H,25,31)/t17-,19-,21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Displacement of [125I](+/-)DOI from human 5-HT2B receptor trasfected in CHO cell membrane after 60 mins by scintillation counting analysis				ACS Med Chem Lett 4: 254-258 (2013) Article DOI: 10.1021/ml3003814 BindingDB Entry DOI: 10.7270/Q2S183T4
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50071729 (CHEMBL313826 | Naphthalene-2-sulfonic acid [(S)-1-...) Show SMILES NCc1ccc(C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCCCC2)cc1 Show InChI InChI=1S/C25H29N3O3S/c26-18-20-10-8-19(9-11-20)16-24(25(29)28-14-4-1-5-15-28)27-32(30,31)23-13-12-21-6-2-3-7-22(21)17-23/h2-3,6-13,17,24,27H,1,4-5,14-16,18,26H2/t24-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biotech Research Institute Curated by ChEMBL					Assay Description Binding affinity towards human thrombin				Bioorg Med Chem Lett 8: 2563-8 (1999) BindingDB Entry DOI: 10.7270/Q20Z72FK
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50071723 ((S)-3-(4-Aminomethyl-phenyl)-N-cyclopentyl-N-methy...) Show SMILES CN(C1CCCC1)C(=O)[C@H](Cc1ccc(CN)cc1)NS(=O)(=O)c1ccc2CCCCCc2c1 Show InChI InChI=1S/C27H37N3O3S/c1-30(24-9-5-6-10-24)27(31)26(17-20-11-13-21(19-28)14-12-20)29-34(32,33)25-16-15-22-7-3-2-4-8-23(22)18-25/h11-16,18,24,26,29H,2-10,17,19,28H2,1H3/t26-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biotech Research Institute Curated by ChEMBL					Assay Description Binding affinity towards human thrombin				Bioorg Med Chem Lett 8: 2563-8 (1999) BindingDB Entry DOI: 10.7270/Q20Z72FK
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50071725 ((S)-3-(4-Aminomethyl-phenyl)-2-(anthracene-2-sulfo...) Show SMILES CN(C1CCCC1)C(=O)[C@H](Cc1ccc(CN)cc1)NS(=O)(=O)c1ccc2cc3ccccc3cc2c1 Show InChI InChI=1S/C30H33N3O3S/c1-33(27-8-4-5-9-27)30(34)29(16-21-10-12-22(20-31)13-11-21)32-37(35,36)28-15-14-25-17-23-6-2-3-7-24(23)18-26(25)19-28/h2-3,6-7,10-15,17-19,27,29,32H,4-5,8-9,16,20,31H2,1H3/t29-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biotech Research Institute Curated by ChEMBL					Assay Description Binding affinity towards human thrombin				Bioorg Med Chem Lett 8: 2563-8 (1999) BindingDB Entry DOI: 10.7270/Q20Z72FK
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50071722 ((S)-3-(4-Aminomethyl-phenyl)-N-cyclopentyl-2-(6-me...) Show SMILES COc1ccc2cc(ccc2c1)S(=O)(=O)N[C@@H](Cc1ccc(CN)cc1)C(=O)N(C)C1CCCC1 Show InChI InChI=1S/C27H33N3O4S/c1-30(23-5-3-4-6-23)27(31)26(15-19-7-9-20(18-28)10-8-19)29-35(32,33)25-14-12-21-16-24(34-2)13-11-22(21)17-25/h7-14,16-17,23,26,29H,3-6,15,18,28H2,1-2H3/t26-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biotech Research Institute Curated by ChEMBL					Assay Description Binding affinity towards human thrombin				Bioorg Med Chem Lett 8: 2563-8 (1999) BindingDB Entry DOI: 10.7270/Q20Z72FK
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50070783 ((S)-3-(4-Carbamimidoyl-phenyl)-N-cyclopentyl-N-met...) Show SMILES CN(C1CCCC1)C(=O)[C@H](Cc1ccc(cc1)C(N)=N)NS(=O)(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C26H30N4O3S/c1-30(22-8-4-5-9-22)26(31)24(16-18-10-12-20(13-11-18)25(27)28)29-34(32,33)23-15-14-19-6-2-3-7-21(19)17-23/h2-3,6-7,10-15,17,22,24,29H,4-5,8-9,16H2,1H3,(H3,27,28)/t24-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biotech Research Institute Curated by ChEMBL					Assay Description Binding affinity towards human thrombin				Bioorg Med Chem Lett 8: 2563-8 (1999) BindingDB Entry DOI: 10.7270/Q20Z72FK
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM50426501 (CHEMBL2323578) Show SMILES CCNC(=O)N(CCCN1CCOCC1)C(=O)[C@@H]1C[C@H]2[C@@H](Cc3c[nH]c4cccc2c34)N(CC=C)C1 |r| Show InChI InChI=1S/C28H39N5O3/c1-3-9-32-19-21(16-23-22-7-5-8-24-26(22)20(18-30-24)17-25(23)32)27(34)33(28(35)29-4-2)11-6-10-31-12-14-36-15-13-31/h3,5,7-8,18,21,23,25,30H,1,4,6,9-17,19H2,2H3,(H,29,35)/t21-,23-,25-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Displacement of [125I](+/-)DOI from human 5-HT2B receptor trasfected in CHO cell membrane after 60 mins by scintillation counting analysis				ACS Med Chem Lett 4: 254-258 (2013) Article DOI: 10.1021/ml3003814 BindingDB Entry DOI: 10.7270/Q2S183T4
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50401014 (CHEMBL2206307) Show SMILES COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(Cl)cc1)N2CCF |r,TLB:11:10:6.7:18,THB:2:4:6.7:18| Show InChI InChI=1S/C17H21ClFNO2/c1-22-17(21)16-14(11-2-4-12(18)5-3-11)10-13-6-7-15(16)20(13)9-8-19/h2-5,13-16H,6-10H2,1H3/t13-,14+,15+,16-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johannes Gutenberg University Curated by ChEMBL					Assay Description Binding affinity to DAT				Bioorg Med Chem Lett 22: 679-82 (2011) Article DOI: 10.1016/j.bmcl.2011.10.053 BindingDB Entry DOI: 10.7270/Q2ZW1N2D
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50069055 ((S)-3-(4-Aminomethyl-phenyl)-N-cyclopentyl-N-methy...) Show SMILES CCCc1ccc(cc1)S(=O)(=O)N[C@@H](Cc1ccc(CN)cc1)C(=O)N(C)C1CCCC1 Show InChI InChI=1S/C25H35N3O3S/c1-3-6-19-13-15-23(16-14-19)32(30,31)27-24(17-20-9-11-21(18-26)12-10-20)25(29)28(2)22-7-4-5-8-22/h9-16,22,24,27H,3-8,17-18,26H2,1-2H3/t24-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	9.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biotech Research Institute Curated by ChEMBL					Assay Description Binding affinity towards human thrombin				Bioorg Med Chem Lett 8: 2563-8 (1999) BindingDB Entry DOI: 10.7270/Q20Z72FK
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50069055 ((S)-3-(4-Aminomethyl-phenyl)-N-cyclopentyl-N-methy...) Show SMILES CCCc1ccc(cc1)S(=O)(=O)N[C@@H](Cc1ccc(CN)cc1)C(=O)N(C)C1CCCC1 Show InChI InChI=1S/C25H35N3O3S/c1-3-6-19-13-15-23(16-14-19)32(30,31)27-24(17-20-9-11-21(18-26)12-10-20)25(29)28(2)22-7-4-5-8-22/h9-16,22,24,27H,3-8,17-18,26H2,1-2H3/t24-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biotech Research Institute Curated by ChEMBL					Assay Description Inhibition constant was evaluated for inhibitory activity against the blood coagulant thrombin				Bioorg Med Chem Lett 8: 735-8 (1999) BindingDB Entry DOI: 10.7270/Q2668C95
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50071726 ((S)-3-(4-Aminomethyl-phenyl)-N-cyclopentyl-N-methy...) Show SMILES CN(C1CCCC1)C(=O)[C@H](Cc1ccc(CN)cc1)NS(=O)(=O)c1ccc2CCCCc2c1 Show InChI InChI=1S/C26H35N3O3S/c1-29(23-8-4-5-9-23)26(30)25(16-19-10-12-20(18-27)13-11-19)28-33(31,32)24-15-14-21-6-2-3-7-22(21)17-24/h10-15,17,23,25,28H,2-9,16,18,27H2,1H3/t25-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biotech Research Institute Curated by ChEMBL					Assay Description Binding affinity towards human thrombin				Bioorg Med Chem Lett 8: 2563-8 (1999) BindingDB Entry DOI: 10.7270/Q20Z72FK
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50071724 ((S)-3-(4-Aminomethyl-phenyl)-N-cyclopentyl-2-(5-di...) Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)N[C@@H](Cc1ccc(CN)cc1)C(=O)N(C)C1CCCC1 Show InChI InChI=1S/C28H36N4O3S/c1-31(2)26-12-6-11-24-23(26)10-7-13-27(24)36(34,35)30-25(18-20-14-16-21(19-29)17-15-20)28(33)32(3)22-8-4-5-9-22/h6-7,10-17,22,25,30H,4-5,8-9,18-19,29H2,1-3H3/t25-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biotech Research Institute Curated by ChEMBL					Assay Description Binding affinity towards human thrombin				Bioorg Med Chem Lett 8: 2563-8 (1999) BindingDB Entry DOI: 10.7270/Q20Z72FK
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50069053 ((S)-3-(4-Aminomethyl-phenyl)-N-cyclopentyl-N-methy...) Show SMILES CN(C1CCCC1)C(=O)[C@H](Cc1ccc(CN)cc1)NS(=O)(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C26H31N3O3S/c1-29(23-8-4-5-9-23)26(30)25(16-19-10-12-20(18-27)13-11-19)28-33(31,32)24-15-14-21-6-2-3-7-22(21)17-24/h2-3,6-7,10-15,17,23,25,28H,4-5,8-9,16,18,27H2,1H3/t25-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biotech Research Institute Curated by ChEMBL					Assay Description Binding affinity towards human thrombin				Bioorg Med Chem Lett 8: 2563-8 (1999) BindingDB Entry DOI: 10.7270/Q20Z72FK
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50071721 ((S)-3-(4-Aminomethyl-phenyl)-2-(4-cyclohexyl-benze...) Show SMILES CN(C1CCCC1)C(=O)[C@H](Cc1ccc(CN)cc1)NS(=O)(=O)c1ccc(cc1)C1CCCCC1 Show InChI InChI=1S/C28H39N3O3S/c1-31(25-9-5-6-10-25)28(32)27(19-21-11-13-22(20-29)14-12-21)30-35(33,34)26-17-15-24(16-18-26)23-7-3-2-4-8-23/h11-18,23,25,27,30H,2-10,19-20,29H2,1H3/t27-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biotech Research Institute Curated by ChEMBL					Assay Description Binding affinity towards human thrombin				Bioorg Med Chem Lett 8: 2563-8 (1999) BindingDB Entry DOI: 10.7270/Q20Z72FK
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50069053 ((S)-3-(4-Aminomethyl-phenyl)-N-cyclopentyl-N-methy...) Show SMILES CN(C1CCCC1)C(=O)[C@H](Cc1ccc(CN)cc1)NS(=O)(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C26H31N3O3S/c1-29(23-8-4-5-9-23)26(30)25(16-19-10-12-20(18-27)13-11-19)28-33(31,32)24-15-14-21-6-2-3-7-22(21)17-24/h2-3,6-7,10-15,17,23,25,28H,4-5,8-9,16,18,27H2,1H3/t25-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biotech Research Institute Curated by ChEMBL					Assay Description Inhibition constant was evaluated for inhibitory activity against the blood coagulant thrombin				Bioorg Med Chem Lett 8: 735-8 (1999) BindingDB Entry DOI: 10.7270/Q2668C95
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50071728 ((S)-3-(4-Aminomethyl-phenyl)-2-(biphenyl-4-sulfony...) Show SMILES CN(C1CCCC1)C(=O)[C@H](Cc1ccc(CN)cc1)NS(=O)(=O)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C28H33N3O3S/c1-31(25-9-5-6-10-25)28(32)27(19-21-11-13-22(20-29)14-12-21)30-35(33,34)26-17-15-24(16-18-26)23-7-3-2-4-8-23/h2-4,7-8,11-18,25,27,30H,5-6,9-10,19-20,29H2,1H3/t27-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	61	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biotech Research Institute Curated by ChEMBL					Assay Description Binding affinity towards human thrombin				Bioorg Med Chem Lett 8: 2563-8 (1999) BindingDB Entry DOI: 10.7270/Q20Z72FK
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50071727 ((S)-3-(4-Aminomethyl-phenyl)-N-cyclopentyl-N-methy...) Show SMILES CN(C1CCCC1)C(=O)[C@H](Cc1ccc(CN)cc1)NS(=O)(=O)c1ccc(s1)-c1ccccn1 Show InChI InChI=1S/C25H30N4O3S2/c1-29(20-6-2-3-7-20)25(30)22(16-18-9-11-19(17-26)12-10-18)28-34(31,32)24-14-13-23(33-24)21-8-4-5-15-27-21/h4-5,8-15,20,22,28H,2-3,6-7,16-17,26H2,1H3/t22-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	107	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biotech Research Institute Curated by ChEMBL					Assay Description Binding affinity towards human thrombin				Bioorg Med Chem Lett 8: 2563-8 (1999) BindingDB Entry DOI: 10.7270/Q20Z72FK
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50069052 (CHEMBL164661 | Naphthalene-2-sulfonic acid [(S)-1-...) Show SMILES NCc1ccc(C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCCC2)cc1 Show InChI InChI=1S/C24H27N3O3S/c25-17-19-9-7-18(8-10-19)15-23(24(28)27-13-3-4-14-27)26-31(29,30)22-12-11-20-5-1-2-6-21(20)16-22/h1-2,5-12,16,23,26H,3-4,13-15,17,25H2/t23-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biotech Research Institute Curated by ChEMBL					Assay Description Inhibition constant was evaluated for inhibitory activity against the blood coagulant thrombin				Bioorg Med Chem Lett 8: 735-8 (1999) BindingDB Entry DOI: 10.7270/Q2668C95
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50069051 ((S)-3-(4-Aminomethyl-phenyl)-N-isopropyl-N-methyl-...) Show SMILES CC(C)N(C)C(=O)[C@H](Cc1ccc(CN)cc1)NS(=O)(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C24H29N3O3S/c1-17(2)27(3)24(28)23(14-18-8-10-19(16-25)11-9-18)26-31(29,30)22-13-12-20-6-4-5-7-21(20)15-22/h4-13,15,17,23,26H,14,16,25H2,1-3H3/t23-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biotech Research Institute Curated by ChEMBL					Assay Description Inhibition constant was evaluated for inhibitory activity against the blood coagulant thrombin				Bioorg Med Chem Lett 8: 735-8 (1999) BindingDB Entry DOI: 10.7270/Q2668C95
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50069057 ((S)-3-(4-Aminomethyl-phenyl)-N,N-dimethyl-2-(napht...) Show SMILES CN(C)C(=O)[C@H](Cc1ccc(CN)cc1)NS(=O)(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C22H25N3O3S/c1-25(2)22(26)21(13-16-7-9-17(15-23)10-8-16)24-29(27,28)20-12-11-18-5-3-4-6-19(18)14-20/h3-12,14,21,24H,13,15,23H2,1-2H3/t21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.06E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biotech Research Institute Curated by ChEMBL					Assay Description Inhibition constant was evaluated for inhibitory activity against the blood coagulant thrombin				Bioorg Med Chem Lett 8: 735-8 (1999) BindingDB Entry DOI: 10.7270/Q2668C95
					More data for this Ligand-Target Pair
Serine protease 1 (Bos taurus (bovine))	BDBM50071725 ((S)-3-(4-Aminomethyl-phenyl)-2-(anthracene-2-sulfo...) Show SMILES CN(C1CCCC1)C(=O)[C@H](Cc1ccc(CN)cc1)NS(=O)(=O)c1ccc2cc3ccccc3cc2c1 Show InChI InChI=1S/C30H33N3O3S/c1-33(27-8-4-5-9-27)30(34)29(16-21-10-12-22(20-31)13-11-21)32-37(35,36)28-15-14-25-17-23-6-2-3-7-24(23)18-26(25)19-28/h2-3,6-7,10-15,17-19,27,29,32H,4-5,8-9,16,20,31H2,1H3/t29-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biotech Research Institute Curated by ChEMBL					Assay Description Binding affinity of the compound towards bovine trypsin was evaluated in vitro				Bioorg Med Chem Lett 8: 2563-8 (1999) BindingDB Entry DOI: 10.7270/Q20Z72FK
					More data for this Ligand-Target Pair
Serine protease 1 (Bos taurus (bovine))	BDBM50071721 ((S)-3-(4-Aminomethyl-phenyl)-2-(4-cyclohexyl-benze...) Show SMILES CN(C1CCCC1)C(=O)[C@H](Cc1ccc(CN)cc1)NS(=O)(=O)c1ccc(cc1)C1CCCCC1 Show InChI InChI=1S/C28H39N3O3S/c1-31(25-9-5-6-10-25)28(32)27(19-21-11-13-22(20-29)14-12-21)30-35(33,34)26-17-15-24(16-18-26)23-7-3-2-4-8-23/h11-18,23,25,27,30H,2-10,19-20,29H2,1H3/t27-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biotech Research Institute Curated by ChEMBL					Assay Description Binding affinity of the compound towards bovine trypsin was evaluated in vitro				Bioorg Med Chem Lett 8: 2563-8 (1999) BindingDB Entry DOI: 10.7270/Q20Z72FK
					More data for this Ligand-Target Pair
Serine protease 1 (Bos taurus (bovine))	BDBM50071723 ((S)-3-(4-Aminomethyl-phenyl)-N-cyclopentyl-N-methy...) Show SMILES CN(C1CCCC1)C(=O)[C@H](Cc1ccc(CN)cc1)NS(=O)(=O)c1ccc2CCCCCc2c1 Show InChI InChI=1S/C27H37N3O3S/c1-30(24-9-5-6-10-24)27(31)26(17-20-11-13-21(19-28)14-12-20)29-34(32,33)25-16-15-22-7-3-2-4-8-23(22)18-25/h11-16,18,24,26,29H,2-10,17,19,28H2,1H3/t26-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biotech Research Institute Curated by ChEMBL					Assay Description Binding affinity of the compound towards bovine trypsin was evaluated in vitro				Bioorg Med Chem Lett 8: 2563-8 (1999) BindingDB Entry DOI: 10.7270/Q20Z72FK
					More data for this Ligand-Target Pair
Serine protease 1 (Bos taurus (bovine))	BDBM50069055 ((S)-3-(4-Aminomethyl-phenyl)-N-cyclopentyl-N-methy...) Show SMILES CCCc1ccc(cc1)S(=O)(=O)N[C@@H](Cc1ccc(CN)cc1)C(=O)N(C)C1CCCC1 Show InChI InChI=1S/C25H35N3O3S/c1-3-6-19-13-15-23(16-14-19)32(30,31)27-24(17-20-9-11-21(18-26)12-10-20)25(29)28(2)22-7-4-5-8-22/h9-16,22,24,27H,3-8,17-18,26H2,1-2H3/t24-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	9.04E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biotech Research Institute Curated by ChEMBL					Assay Description Binding affinity of the compound towards bovine trypsin was evaluated in vitro				Bioorg Med Chem Lett 8: 2563-8 (1999) BindingDB Entry DOI: 10.7270/Q20Z72FK
					More data for this Ligand-Target Pair
Serine protease 1 (Bos taurus (bovine))	BDBM50071726 ((S)-3-(4-Aminomethyl-phenyl)-N-cyclopentyl-N-methy...) Show SMILES CN(C1CCCC1)C(=O)[C@H](Cc1ccc(CN)cc1)NS(=O)(=O)c1ccc2CCCCc2c1 Show InChI InChI=1S/C26H35N3O3S/c1-29(23-8-4-5-9-23)26(30)25(16-19-10-12-20(18-27)13-11-19)28-33(31,32)24-15-14-21-6-2-3-7-22(21)17-24/h10-15,17,23,25,28H,2-9,16,18,27H2,1H3/t25-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	9.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biotech Research Institute Curated by ChEMBL					Assay Description Binding affinity of the compound towards bovine trypsin was evaluated in vitro				Bioorg Med Chem Lett 8: 2563-8 (1999) BindingDB Entry DOI: 10.7270/Q20Z72FK
					More data for this Ligand-Target Pair
Serine protease 1 (Bos taurus (bovine))	BDBM50069053 ((S)-3-(4-Aminomethyl-phenyl)-N-cyclopentyl-N-methy...) Show SMILES CN(C1CCCC1)C(=O)[C@H](Cc1ccc(CN)cc1)NS(=O)(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C26H31N3O3S/c1-29(23-8-4-5-9-23)26(30)25(16-19-10-12-20(18-27)13-11-19)28-33(31,32)24-15-14-21-6-2-3-7-22(21)17-24/h2-3,6-7,10-15,17,23,25,28H,4-5,8-9,16,18,27H2,1H3/t25-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.36E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biotech Research Institute Curated by ChEMBL					Assay Description Binding affinity of the compound towards bovine trypsin was evaluated in vitro				Bioorg Med Chem Lett 8: 2563-8 (1999) BindingDB Entry DOI: 10.7270/Q20Z72FK
					More data for this Ligand-Target Pair
Serine protease 1 (Bos taurus (bovine))	BDBM50071722 ((S)-3-(4-Aminomethyl-phenyl)-N-cyclopentyl-2-(6-me...) Show SMILES COc1ccc2cc(ccc2c1)S(=O)(=O)N[C@@H](Cc1ccc(CN)cc1)C(=O)N(C)C1CCCC1 Show InChI InChI=1S/C27H33N3O4S/c1-30(23-5-3-4-6-23)27(31)26(15-19-7-9-20(18-28)10-8-19)29-35(32,33)25-14-12-21-16-24(34-2)13-11-22(21)17-25/h7-14,16-17,23,26,29H,3-6,15,18,28H2,1-2H3/t26-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.42E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biotech Research Institute Curated by ChEMBL					Assay Description Binding affinity of the compound towards bovine trypsin was evaluated in vitro				Bioorg Med Chem Lett 8: 2563-8 (1999) BindingDB Entry DOI: 10.7270/Q20Z72FK
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50069056 (CHEMBL350751 | Naphthalene-2-sulfonic acid [(S)-1-...) Show SMILES NCc1ccc(C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCC(O)CC2)cc1 Show InChI InChI=1S/C25H29N3O4S/c26-17-19-7-5-18(6-8-19)15-24(25(30)28-13-11-22(29)12-14-28)27-33(31,32)23-10-9-20-3-1-2-4-21(20)16-23/h1-10,16,22,24,27,29H,11-15,17,26H2/t24-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.56E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biotech Research Institute Curated by ChEMBL					Assay Description Inhibition constant was evaluated for inhibitory activity against the blood coagulant thrombin				Bioorg Med Chem Lett 8: 735-8 (1999) BindingDB Entry DOI: 10.7270/Q2668C95
					More data for this Ligand-Target Pair
Serine protease 1 (Bos taurus (bovine))	BDBM50071724 ((S)-3-(4-Aminomethyl-phenyl)-N-cyclopentyl-2-(5-di...) Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)N[C@@H](Cc1ccc(CN)cc1)C(=O)N(C)C1CCCC1 Show InChI InChI=1S/C28H36N4O3S/c1-31(2)26-12-6-11-24-23(26)10-7-13-27(24)36(34,35)30-25(18-20-14-16-21(19-29)17-15-20)28(33)32(3)22-8-4-5-9-22/h6-7,10-17,22,25,30H,4-5,8-9,18-19,29H2,1-3H3/t25-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.71E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biotech Research Institute Curated by ChEMBL					Assay Description Binding affinity of the compound towards bovine trypsin was evaluated in vitro				Bioorg Med Chem Lett 8: 2563-8 (1999) BindingDB Entry DOI: 10.7270/Q20Z72FK
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50069054 ((S)-3-(4-Aminomethyl-phenyl)-N-isopropyl-2-(naphth...) Show SMILES CC(C)NC(=O)[C@H](Cc1ccc(CN)cc1)NS(=O)(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C23H27N3O3S/c1-16(2)25-23(27)22(13-17-7-9-18(15-24)10-8-17)26-30(28,29)21-12-11-19-5-3-4-6-20(19)14-21/h3-12,14,16,22,26H,13,15,24H2,1-2H3,(H,25,27)/t22-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.17E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biotech Research Institute Curated by ChEMBL					Assay Description Inhibition constant was evaluated for inhibitory activity against the blood coagulant thrombin				Bioorg Med Chem Lett 8: 735-8 (1999) BindingDB Entry DOI: 10.7270/Q2668C95
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50069050 ((S)-3-(4-Aminomethyl-phenyl)-N-benzyl-2-(naphthale...) Show SMILES NCc1ccc(C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)NCc2ccccc2)cc1 Show InChI InChI=1S/C27H27N3O3S/c28-18-21-12-10-20(11-13-21)16-26(27(31)29-19-22-6-2-1-3-7-22)30-34(32,33)25-15-14-23-8-4-5-9-24(23)17-25/h1-15,17,26,30H,16,18-19,28H2,(H,29,31)/t26-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	9.72E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biotech Research Institute Curated by ChEMBL					Assay Description Inhibition constant was evaluated for inhibitory activity against the blood coagulant thrombin				Bioorg Med Chem Lett 8: 735-8 (1999) BindingDB Entry DOI: 10.7270/Q2668C95
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM138211 (US8871778, 190) Show SMILES Cc1nn(cc1CN1CC[C@@H](O)C1)-c1ccnc(Nc2ccc3n(C)cc(C(=O)C4CC4)c3c2)n1 |r| Show InChI InChI=1S/C26H29N7O2/c1-16-18(12-32-10-8-20(34)14-32)13-33(30-16)24-7-9-27-26(29-24)28-19-5-6-23-21(11-19)22(15-31(23)2)25(35)17-3-4-17/h5-7,9,11,13,15,17,20,34H,3-4,8,10,12,14H2,1-2H3,(H,27,28,29)/t20-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	25
Genosco; Oscotec, Inc. US Patent					Assay Description Compounds of the invention were initially diluted to 10 mM in 100% DMSO (CALBIOCHEM) for storage and made into kinase buffer solution to create a com...				US Patent US8871778 (2014) BindingDB Entry DOI: 10.7270/Q2X065R6
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM138212 (US8871778, 198) Show SMILES Cc1nn(cc1CN1CC[C@@H](O)C1)-c1cccc(Nc2ccc3n(C)cc(C(=O)C(F)(F)F)c3c2)n1 |r| Show InChI InChI=1S/C25H25F3N6O2/c1-15-16(11-33-9-8-18(35)13-33)12-34(31-15)23-5-3-4-22(30-23)29-17-6-7-21-19(10-17)20(14-32(21)2)24(36)25(26,27)28/h3-7,10,12,14,18,35H,8-9,11,13H2,1-2H3,(H,29,30)/t18-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	25
Genosco; Oscotec, Inc. US Patent					Assay Description Compounds of the invention were initially diluted to 10 mM in 100% DMSO (CALBIOCHEM) for storage and made into kinase buffer solution to create a com...				US Patent US8871778 (2014) BindingDB Entry DOI: 10.7270/Q2X065R6
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM138217 (US8871778, 251) Show SMILES CO[C@@H]1CN(Cc2cn(nc2C)-c2ccnc(Nc3ccc4n(C)c(C)c(Cl)c4c3)n2)C[C@@H]1O |r| Show InChI InChI=1S/C24H28ClN7O2/c1-14-16(10-31-12-20(33)21(13-31)34-4)11-32(29-14)22-7-8-26-24(28-22)27-17-5-6-19-18(9-17)23(25)15(2)30(19)3/h5-9,11,20-21,33H,10,12-13H2,1-4H3,(H,26,27,28)/t20-,21+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	25
Genosco; Oscotec, Inc. US Patent					Assay Description Compounds of the invention were initially diluted to 10 mM in 100% DMSO (CALBIOCHEM) for storage and made into kinase buffer solution to create a com...				US Patent US8871778 (2014) BindingDB Entry DOI: 10.7270/Q2X065R6
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Bos taurus)	BDBM50304788 (CHEMBL594160 | methyl 4-(3-chloro-4-methoxybenzyla...) Show SMILES COC(=O)N(C)c1cc2c(NCc3ccc(OC)c(Cl)c3)ncnc2c(CCO)c1OC Show InChI InChI=1S/C22H25ClN4O5/c1-27(22(29)32-4)17-10-15-19(14(7-8-28)20(17)31-3)25-12-26-21(15)24-11-13-5-6-18(30-2)16(23)9-13/h5-6,9-10,12,28H,7-8,11H2,1-4H3,(H,24,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Chong Kun Dang Research Institute Curated by ChEMBL					Assay Description Inhibition of bovine platelet PDE5				Bioorg Med Chem Lett 20: 383-6 (2010) Article DOI: 10.1016/j.bmcl.2009.10.071 BindingDB Entry DOI: 10.7270/Q28P60KW
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM138204 (US8871778, 161) Show SMILES Cc1nn(cc1CN1CC(O)C1)-c1ccnc(Nc2ccc3n(C)nc(Cl)c3c2)n1 Show InChI InChI=1S/C20H21ClN8O/c1-12-13(8-28-10-15(30)11-28)9-29(25-12)18-5-6-22-20(24-18)23-14-3-4-17-16(7-14)19(21)26-27(17)2/h3-7,9,15,30H,8,10-11H2,1-2H3,(H,22,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	25
Kangwon National University Curated by ChEMBL					Assay Description Inhibition of purified full-length human SYK pre-incubated for 30 mins at room temperature before Ulight-TK peptide substrate addition and measured 1...				Bioorg Med Chem Lett 25: 4441-6 (2015) Article DOI: 10.1016/j.bmcl.2015.09.011 BindingDB Entry DOI: 10.7270/Q22Z17BN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM138219 (US8871778, 255) Show SMILES Cc1nn(cc1CN1C[C@H](O)[C@H](O)C1)-c1ccnc(Nc2ccc3n(C)nc(c3c2)S(C)(=O)=O)n1 |r| Show InChI InChI=1S/C22H26N8O4S/c1-13-14(9-29-11-18(31)19(32)12-29)10-30(26-13)20-6-7-23-22(25-20)24-15-4-5-17-16(8-15)21(27-28(17)2)35(3,33)34/h4-8,10,18-19,31-32H,9,11-12H2,1-3H3,(H,23,24,25)/t18-,19+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	25
Genosco; Oscotec, Inc. US Patent					Assay Description Compounds of the invention were initially diluted to 10 mM in 100% DMSO (CALBIOCHEM) for storage and made into kinase buffer solution to create a com...				US Patent US8871778 (2014) BindingDB Entry DOI: 10.7270/Q2X065R6
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM138201 (US8871778, 144) Show SMILES Cc1nn(cc1CN1CC(O)C1)-c1ccnc(Nc2ccc3n(C)cc(Cl)c3c2)n1 Show InChI InChI=1S/C21H22ClN7O/c1-13-14(8-28-10-16(30)11-28)9-29(26-13)20-5-6-23-21(25-20)24-15-3-4-19-17(7-15)18(22)12-27(19)2/h3-7,9,12,16,30H,8,10-11H2,1-2H3,(H,23,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	25
Kangwon National University Curated by ChEMBL					Assay Description Inhibition of purified full-length human SYK pre-incubated for 30 mins at room temperature before Ulight-TK peptide substrate addition and measured 1...				Bioorg Med Chem Lett 25: 4441-6 (2015) Article DOI: 10.1016/j.bmcl.2015.09.011 BindingDB Entry DOI: 10.7270/Q22Z17BN
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM138210 (US8871778, 189) Show SMILES Cc1nn(cc1CN1CC[C@@H](O)C1)-c1ccnc(Nc2ccc3n(C)c(C)c(Cl)c3c2)n1 |r| Show InChI InChI=1S/C23H26ClN7O/c1-14-16(11-30-9-7-18(32)13-30)12-31(28-14)21-6-8-25-23(27-21)26-17-4-5-20-19(10-17)22(24)15(2)29(20)3/h4-6,8,10,12,18,32H,7,9,11,13H2,1-3H3,(H,25,26,27)/t18-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	25
Kangwon National University Curated by ChEMBL					Assay Description Inhibition of purified full-length human SYK pre-incubated for 30 mins at room temperature before Ulight-TK peptide substrate addition and measured 1...				Bioorg Med Chem Lett 25: 4441-6 (2015) Article DOI: 10.1016/j.bmcl.2015.09.011 BindingDB Entry DOI: 10.7270/Q22Z17BN
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Bos taurus)	BDBM50246252 (CHEMBL521075 | N-(4-(3-chloro-4-methoxybenzylamino...) Show SMILES CCC(=O)Nc1cc2c(NCc3ccc(OC)c(Cl)c3)ncnc2c(CCO)c1OC Show InChI InChI=1S/C22H25ClN4O4/c1-4-19(29)27-17-10-15-20(14(7-8-28)21(17)31-3)25-12-26-22(15)24-11-13-5-6-18(30-2)16(23)9-13/h5-6,9-10,12,28H,4,7-8,11H2,1-3H3,(H,27,29)(H,24,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Chong Kun Dang Research Institute Curated by ChEMBL					Assay Description Inhibition of bovine platelet PDE5				Bioorg Med Chem Lett 20: 383-6 (2010) Article DOI: 10.1016/j.bmcl.2009.10.071 BindingDB Entry DOI: 10.7270/Q28P60KW
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM138200 (US8871778, 141) Show SMILES Cc1nn(cc1CN1CC(O)C1)-c1ccnc(Nc2ccc3n(C)c(C)c(Cl)c3c2)n1 Show InChI InChI=1S/C22H24ClN7O/c1-13-15(9-29-11-17(31)12-29)10-30(27-13)20-6-7-24-22(26-20)25-16-4-5-19-18(8-16)21(23)14(2)28(19)3/h4-8,10,17,31H,9,11-12H2,1-3H3,(H,24,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	25
Genosco; Oscotec, Inc. US Patent					Assay Description Compounds of the invention were initially diluted to 10 mM in 100% DMSO (CALBIOCHEM) for storage and made into kinase buffer solution to create a com...				US Patent US8871778 (2014) BindingDB Entry DOI: 10.7270/Q2X065R6
					More data for this Ligand-Target Pair				3D Structure (crystal)
cGMP-specific 3',5'-cyclic phosphodiesterase (Bos taurus)	BDBM50304789 (CHEMBL604271 | N-(4-(3-chloro-4-methoxybenzylamino...) Show SMILES CCC(=O)N(C)c1cc2c(NCc3ccc(OC)c(Cl)c3)ncnc2c(CCO)c1OC Show InChI InChI=1S/C23H27ClN4O4/c1-5-20(30)28(2)18-11-16-21(15(8-9-29)22(18)32-4)26-13-27-23(16)25-12-14-6-7-19(31-3)17(24)10-14/h6-7,10-11,13,29H,5,8-9,12H2,1-4H3,(H,25,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Chong Kun Dang Research Institute Curated by ChEMBL					Assay Description Inhibition of bovine platelet PDE5				Bioorg Med Chem Lett 20: 383-6 (2010) Article DOI: 10.1016/j.bmcl.2009.10.071 BindingDB Entry DOI: 10.7270/Q28P60KW
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM138207 (US8871778, 176) Show SMILES Cc1nn(cc1CN1CC(O)C1)-c1nc(Nc2ccc3n(C)c(C)c(Cl)c3c2)ncc1F Show InChI InChI=1S/C22H23ClFN7O/c1-12-14(8-30-10-16(32)11-30)9-31(28-12)21-18(24)7-25-22(27-21)26-15-4-5-19-17(6-15)20(23)13(2)29(19)3/h4-7,9,16,32H,8,10-11H2,1-3H3,(H,25,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	25
Genosco; Oscotec, Inc. US Patent					Assay Description Compounds of the invention were initially diluted to 10 mM in 100% DMSO (CALBIOCHEM) for storage and made into kinase buffer solution to create a com...				US Patent US8871778 (2014) BindingDB Entry DOI: 10.7270/Q2X065R6
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Bos taurus)	BDBM50304792 (CHEMBL595104 | N-(4-(3-chloro-4-methoxybenzylamino...) Show SMILES COc1ccc(CNc2ncnc3c(CCO)c(OC)c(cc23)N(C)C(=O)C2CC2)cc1Cl Show InChI InChI=1S/C24H27ClN4O4/c1-29(24(31)15-5-6-15)19-11-17-21(16(8-9-30)22(19)33-3)27-13-28-23(17)26-12-14-4-7-20(32-2)18(25)10-14/h4,7,10-11,13,15,30H,5-6,8-9,12H2,1-3H3,(H,26,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Chong Kun Dang Research Institute Curated by ChEMBL					Assay Description Inhibition of bovine platelet PDE5				Bioorg Med Chem Lett 20: 383-6 (2010) Article DOI: 10.1016/j.bmcl.2009.10.071 BindingDB Entry DOI: 10.7270/Q28P60KW
					More data for this Ligand-Target Pair

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