Compile Data Set for Download or QSAR

Found 157 hits with Last Name = 'tsuji' and Initial = 'k'   

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
Vasopressin V2 receptor (Homo sapiens (Human))	BDBM35723 (CHEMBL344159 | N-[4-(7-Chloro-5-hydroxy-2,3,4,5-te...) Show SMILES Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(O)c3cc(Cl)ccc23)c(C)c1 Show InChI InChI=1S/C26H25ClN2O3/c1-16-6-3-4-7-20(16)25(31)28-19-10-11-21(17(2)14-19)26(32)29-13-5-8-24(30)22-15-18(27)9-12-23(22)29/h3-4,6-7,9-12,14-15,24,30H,5,8,13H2,1-2H3,(H,28,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	0.430	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Second Tokushima Institute of New Drug Research Curated by PDSP Ki Database									J Pharmacol Exp Ther 287: 860-7 (1998) BindingDB Entry DOI: 10.7270/Q2S46QGC
					More data for this Ligand-Target Pair
Vasopressin V1b receptor (Homo sapiens (Human))	BDBM35667 (AVP | CHEMBL373742 | US10131692, 44 (AVP) | [3H]Ar...) Show SMILES [#7]-[#6@H]-1-[#6]-[#16]-[#16]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccc(-[#8])cc2)-[#7]-[#6]-1=O)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6](-[#7])=O Show InChI InChI=1S/C46H65N15O12S2/c47-27-22-74-75-23-33(45(73)61-17-5-9-34(61)44(72)56-28(8-4-16-53-46(51)52)39(67)54-21-37(50)65)60-43(71)32(20-36(49)64)59-40(68)29(14-15-35(48)63)55-41(69)31(18-24-6-2-1-3-7-24)58-42(70)30(57-38(27)66)19-25-10-12-26(62)13-11-25/h1-3,6-7,10-13,27-34,62H,4-5,8-9,14-23,47H2,(H2,48,63)(H2,49,64)(H2,50,65)(H,54,67)(H,55,69)(H,56,72)(H,57,66)(H,58,70)(H,59,68)(H,60,71)(H4,51,52,53)/t27-,28-,29-,30-,31-,32-,33-,34-/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid UniChem Patents Similars	PubMed	0.590	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Second Tokushima Institute of New Drug Research Curated by PDSP Ki Database									J Pharmacol Exp Ther 287: 860-7 (1998) BindingDB Entry DOI: 10.7270/Q2S46QGC
					More data for this Ligand-Target Pair
Vasopressin V2 receptor (Homo sapiens (Human))	BDBM35667 (AVP | CHEMBL373742 | US10131692, 44 (AVP) | [3H]Ar...) Show SMILES [#7]-[#6@H]-1-[#6]-[#16]-[#16]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccc(-[#8])cc2)-[#7]-[#6]-1=O)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6](-[#7])=O Show InChI InChI=1S/C46H65N15O12S2/c47-27-22-74-75-23-33(45(73)61-17-5-9-34(61)44(72)56-28(8-4-16-53-46(51)52)39(67)54-21-37(50)65)60-43(71)32(20-36(49)64)59-40(68)29(14-15-35(48)63)55-41(69)31(18-24-6-2-1-3-7-24)58-42(70)30(57-38(27)66)19-25-10-12-26(62)13-11-25/h1-3,6-7,10-13,27-34,62H,4-5,8-9,14-23,47H2,(H2,48,63)(H2,49,64)(H2,50,65)(H,54,67)(H,55,69)(H,56,72)(H,57,66)(H,58,70)(H,59,68)(H,60,71)(H4,51,52,53)/t27-,28-,29-,30-,31-,32-,33-,34-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid UniChem Patents Similars	PubMed	0.780	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Second Tokushima Institute of New Drug Research Curated by PDSP Ki Database									J Pharmacol Exp Ther 287: 860-7 (1998) BindingDB Entry DOI: 10.7270/Q2S46QGC
					More data for this Ligand-Target Pair
Vasopressin V2 receptor (Rattus norvegicus (Rat))	BDBM35667 (AVP | CHEMBL373742 | US10131692, 44 (AVP) | [3H]Ar...) Show SMILES [#7]-[#6@H]-1-[#6]-[#16]-[#16]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccc(-[#8])cc2)-[#7]-[#6]-1=O)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6](-[#7])=O Show InChI InChI=1S/C46H65N15O12S2/c47-27-22-74-75-23-33(45(73)61-17-5-9-34(61)44(72)56-28(8-4-16-53-46(51)52)39(67)54-21-37(50)65)60-43(71)32(20-36(49)64)59-40(68)29(14-15-35(48)63)55-41(69)31(18-24-6-2-1-3-7-24)58-42(70)30(57-38(27)66)19-25-10-12-26(62)13-11-25/h1-3,6-7,10-13,27-34,62H,4-5,8-9,14-23,47H2,(H2,48,63)(H2,49,64)(H2,50,65)(H,54,67)(H,55,69)(H,56,72)(H,57,66)(H,58,70)(H,59,68)(H,60,71)(H4,51,52,53)/t27-,28-,29-,30-,31-,32-,33-,34-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid UniChem Patents Similars	PubMed	0.950	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Second Tokushima Institute of New Drug Research Curated by PDSP Ki Database									J Pharmacol Exp Ther 287: 860-7 (1998) BindingDB Entry DOI: 10.7270/Q2S46QGC
					More data for this Ligand-Target Pair
Vasopressin V2 receptor (Rattus norvegicus (Rat))	BDBM35723 (CHEMBL344159 | N-[4-(7-Chloro-5-hydroxy-2,3,4,5-te...) Show SMILES Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(O)c3cc(Cl)ccc23)c(C)c1 Show InChI InChI=1S/C26H25ClN2O3/c1-16-6-3-4-7-20(16)25(31)28-19-10-11-21(17(2)14-19)26(32)29-13-5-8-24(30)22-15-18(27)9-12-23(22)29/h3-4,6-7,9-12,14-15,24,30H,5,8,13H2,1-2H3,(H,28,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	1.33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Second Tokushima Institute of New Drug Research Curated by PDSP Ki Database									J Pharmacol Exp Ther 287: 860-7 (1998) BindingDB Entry DOI: 10.7270/Q2S46QGC
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (RAT)	BDBM35667 (AVP | CHEMBL373742 | US10131692, 44 (AVP) | [3H]Ar...) Show SMILES [#7]-[#6@H]-1-[#6]-[#16]-[#16]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccc(-[#8])cc2)-[#7]-[#6]-1=O)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6](-[#7])=O Show InChI InChI=1S/C46H65N15O12S2/c47-27-22-74-75-23-33(45(73)61-17-5-9-34(61)44(72)56-28(8-4-16-53-46(51)52)39(67)54-21-37(50)65)60-43(71)32(20-36(49)64)59-40(68)29(14-15-35(48)63)55-41(69)31(18-24-6-2-1-3-7-24)58-42(70)30(57-38(27)66)19-25-10-12-26(62)13-11-25/h1-3,6-7,10-13,27-34,62H,4-5,8-9,14-23,47H2,(H2,48,63)(H2,49,64)(H2,50,65)(H,54,67)(H,55,69)(H,56,72)(H,57,66)(H,58,70)(H,59,68)(H,60,71)(H4,51,52,53)/t27-,28-,29-,30-,31-,32-,33-,34-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid UniChem Patents Similars	PubMed	1.45	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Second Tokushima Institute of New Drug Research Curated by PDSP Ki Database									J Pharmacol Exp Ther 287: 860-7 (1998) BindingDB Entry DOI: 10.7270/Q2S46QGC
					More data for this Ligand-Target Pair
Vasopressin V2 receptor (Rattus norvegicus (Rat))	BDBM35714 (CHEMBL420762 | Mozavaptan | N-[4-(5-Dimethylamino-...) Show SMILES CN(C)C1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3C)cc2)c2ccccc12 Show InChI InChI=1S/C27H29N3O2/c1-19-9-4-5-10-22(19)26(31)28-21-16-14-20(15-17-21)27(32)30-18-8-13-24(29(2)3)23-11-6-7-12-25(23)30/h4-7,9-12,14-17,24H,8,13,18H2,1-3H3,(H,28,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	6.36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Second Tokushima Institute of New Drug Research Curated by PDSP Ki Database									J Pharmacol Exp Ther 287: 860-7 (1998) BindingDB Entry DOI: 10.7270/Q2S46QGC
					More data for this Ligand-Target Pair
Adenosine deaminase (Homo sapiens (Human))	BDBM22920 (1-[(2R)-1-hydroxy-4-{6-[3-(1-methyl-1H-1,3-benzodi...) Show SMILES Cn1c(CCC(=O)Nc2ccc3ccn(CC[C@H](CO)n4cnc(c4)C(N)=O)c3c2)nc2ccccc12 |r| Show InChI InChI=1S/C27H29N7O3/c1-32-23-5-3-2-4-21(23)31-25(32)8-9-26(36)30-19-7-6-18-10-12-33(24(18)14-19)13-11-20(16-35)34-15-22(27(28)37)29-17-34/h2-7,10,12,14-15,17,20,35H,8-9,11,13,16H2,1H3,(H2,28,37)(H,30,36)/t20-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	7.70	-45.8	n/a	n/a	n/a	n/a	n/a	7.4	22
Fujisawa Pharmaceutical Co., Ltd.					Assay Description The reaction velocity was measured by change in absorbance at 265nm (A265) resulting from the deamination of adenosine. The reaction was started by a...				J Med Chem 47: 2728-31 (2004) Article DOI: 10.1021/jm0499559 BindingDB Entry DOI: 10.7270/Q22F7KQT
					More data for this Ligand-Target Pair				3D Structure (crystal)
Vasopressin V2 receptor (Homo sapiens (Human))	BDBM35714 (CHEMBL420762 | Mozavaptan | N-[4-(5-Dimethylamino-...) Show SMILES CN(C)C1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3C)cc2)c2ccccc12 Show InChI InChI=1S/C27H29N3O2/c1-19-9-4-5-10-22(19)26(31)28-21-16-14-20(15-17-21)27(32)30-18-8-13-24(29(2)3)23-11-6-7-12-25(23)30/h4-7,9-12,14-17,24H,8,13,18H2,1-3H3,(H,28,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	9.42	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Second Tokushima Institute of New Drug Research Curated by PDSP Ki Database									J Pharmacol Exp Ther 287: 860-7 (1998) BindingDB Entry DOI: 10.7270/Q2S46QGC
					More data for this Ligand-Target Pair
Adenosine deaminase (Homo sapiens (Human))	BDBM22950 (1-[(3R,4S)-4-hydroxy-1-(naphthalen-2-yloxy)pentan-...) Show SMILES C[C@H](O)[C@@H](CCOc1ccc2ccccc2c1)n1cnc(c1)C(N)=O |r| Show InChI InChI=1S/C19H21N3O3/c1-13(23)18(22-11-17(19(20)24)21-12-22)8-9-25-16-7-6-14-4-2-3-5-15(14)10-16/h2-7,10-13,18,23H,8-9H2,1H3,(H2,20,24)/t13-,18+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem	MMDB PDB Article PubMed	9.80	-45.3	n/a	n/a	n/a	n/a	n/a	7.4	22
Fujisawa Pharmaceutical Co., Ltd.					Assay Description The reaction velocity was measured by change in absorbance at 265nm (A265) resulting from the deamination of adenosine. The reaction was started by a...				J Med Chem 47: 2728-31 (2004) Article DOI: 10.1021/jm0499559 BindingDB Entry DOI: 10.7270/Q22F7KQT
					More data for this Ligand-Target Pair				3D Structure (crystal)
Adenosine deaminase (Homo sapiens (Human))	BDBM22948 (1-[(1R,2S)-2-hydroxy-1-(2-naphthalen-1-ylethyl)pro...) Show SMILES C[C@H](O)[C@@H](CCc1cccc2ccccc12)n1cnc(c1)C(N)=O |r| Show InChI InChI=1S/C19H21N3O2/c1-13(23)18(22-11-17(19(20)24)21-12-22)10-9-15-7-4-6-14-5-2-3-8-16(14)15/h2-8,11-13,18,23H,9-10H2,1H3,(H2,20,24)/t13-,18+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	11	-45.0	n/a	n/a	n/a	n/a	n/a	7.4	22
Fujisawa Pharmaceutical Co., Ltd.					Assay Description The reaction velocity was measured by change in absorbance at 265nm (A265) resulting from the deamination of adenosine. The reaction was started by a...				J Med Chem 47: 2728-31 (2004) Article DOI: 10.1021/jm0499559 BindingDB Entry DOI: 10.7270/Q22F7KQT
					More data for this Ligand-Target Pair				3D Structure (crystal)
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM35723 (CHEMBL344159 | N-[4-(7-Chloro-5-hydroxy-2,3,4,5-te...) Show SMILES Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(O)c3cc(Cl)ccc23)c(C)c1 Show InChI InChI=1S/C26H25ClN2O3/c1-16-6-3-4-7-20(16)25(31)28-19-10-11-21(17(2)14-19)26(32)29-13-5-8-24(30)22-15-18(27)9-12-23(22)29/h3-4,6-7,9-12,14-15,24,30H,5,8,13H2,1-2H3,(H,28,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	12.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Second Tokushima Institute of New Drug Research Curated by PDSP Ki Database									J Pharmacol Exp Ther 287: 860-7 (1998) BindingDB Entry DOI: 10.7270/Q2S46QGC
					More data for this Ligand-Target Pair
Adenosine deaminase (Homo sapiens (Human))	BDBM22949 (1-[(3R,4S)-1-(2,3-dichlorophenyl)-4-hydroxypentan-...) Show SMILES C[C@H](O)[C@@H](CCc1cccc(Cl)c1Cl)n1cnc(c1)C(N)=O |r| Show InChI InChI=1S/C15H17Cl2N3O2/c1-9(21)13(20-7-12(15(18)22)19-8-20)6-5-10-3-2-4-11(16)14(10)17/h2-4,7-9,13,21H,5-6H2,1H3,(H2,18,22)/t9-,13+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents	MMDB PDB Article PubMed	13	-44.6	n/a	n/a	n/a	n/a	n/a	7.4	22
Fujisawa Pharmaceutical Co., Ltd.					Assay Description The reaction velocity was measured by change in absorbance at 265nm (A265) resulting from the deamination of adenosine. The reaction was started by a...				J Med Chem 47: 2728-31 (2004) Article DOI: 10.1021/jm0499559 BindingDB Entry DOI: 10.7270/Q22F7KQT
					More data for this Ligand-Target Pair				3D Structure (crystal)
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM35714 (CHEMBL420762 | Mozavaptan | N-[4-(5-Dimethylamino-...) Show SMILES CN(C)C1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3C)cc2)c2ccccc12 Show InChI InChI=1S/C27H29N3O2/c1-19-9-4-5-10-22(19)26(31)28-21-16-14-20(15-17-21)27(32)30-18-8-13-24(29(2)3)23-11-6-7-12-25(23)30/h4-7,9-12,14-17,24H,8,13,18H2,1-3H3,(H,28,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Second Tokushima Institute of New Drug Research Curated by PDSP Ki Database									J Pharmacol Exp Ther 287: 860-7 (1998) BindingDB Entry DOI: 10.7270/Q2S46QGC
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (RAT)	BDBM35723 (CHEMBL344159 | N-[4-(7-Chloro-5-hydroxy-2,3,4,5-te...) Show SMILES Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(O)c3cc(Cl)ccc23)c(C)c1 Show InChI InChI=1S/C26H25ClN2O3/c1-16-6-3-4-7-20(16)25(31)28-19-10-11-21(17(2)14-19)26(32)29-13-5-8-24(30)22-15-18(27)9-12-23(22)29/h3-4,6-7,9-12,14-15,24,30H,5,8,13H2,1-2H3,(H,28,31)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	325	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Second Tokushima Institute of New Drug Research Curated by PDSP Ki Database									J Pharmacol Exp Ther 287: 860-7 (1998) BindingDB Entry DOI: 10.7270/Q2S46QGC
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (RAT)	BDBM35714 (CHEMBL420762 | Mozavaptan | N-[4-(5-Dimethylamino-...) Show SMILES CN(C)C1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3C)cc2)c2ccccc12 Show InChI InChI=1S/C27H29N3O2/c1-19-9-4-5-10-22(19)26(31)28-21-16-14-20(15-17-21)27(32)30-18-8-13-24(29(2)3)23-11-6-7-12-25(23)30/h4-7,9-12,14-17,24H,8,13,18H2,1-3H3,(H,28,31)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	524	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Second Tokushima Institute of New Drug Research Curated by PDSP Ki Database									J Pharmacol Exp Ther 287: 860-7 (1998) BindingDB Entry DOI: 10.7270/Q2S46QGC
					More data for this Ligand-Target Pair
Chymotrypsin-like elastase family member 1/2A (Sus scrofa (Pig))	BDBM50226399 (CHEMBL3143932) Show SMILES COC(=O)CCC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)CN(C(C)C)C(=O)Sc1nnnn1-c1ccccc1 |r| Show InChI InChI=1S/C28H38N8O7S/c1-17(2)35(28(42)44-27-31-32-33-36(27)20-10-7-6-8-11-20)16-22(37)21-12-9-15-34(21)26(41)19(4)30-25(40)18(3)29-23(38)13-14-24(39)43-5/h6-8,10-11,17-19,21H,9,12-16H2,1-5H3,(H,29,38)(H,30,40)/t18-,19-,21-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound is evaluated for the inhibition of porcine pancreatic (PP) elastase				J Med Chem 29: 1468-76 (1986) BindingDB Entry DOI: 10.7270/Q2NG4ST4
					More data for this Ligand-Target Pair
Vasopressin V1b receptor (Homo sapiens (Human))	BDBM35714 (CHEMBL420762 | Mozavaptan | N-[4-(5-Dimethylamino-...) Show SMILES CN(C)C1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3C)cc2)c2ccccc12 Show InChI InChI=1S/C27H29N3O2/c1-19-9-4-5-10-22(19)26(31)28-21-16-14-20(15-17-21)27(32)30-18-8-13-24(29(2)3)23-11-6-7-12-25(23)30/h4-7,9-12,14-17,24H,8,13,18H2,1-3H3,(H,28,31)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Second Tokushima Institute of New Drug Research Curated by PDSP Ki Database									J Pharmacol Exp Ther 287: 860-7 (1998) BindingDB Entry DOI: 10.7270/Q2S46QGC
					More data for this Ligand-Target Pair
Vasopressin V1b receptor (Homo sapiens (Human))	BDBM35723 (CHEMBL344159 | N-[4-(7-Chloro-5-hydroxy-2,3,4,5-te...) Show SMILES Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(O)c3cc(Cl)ccc23)c(C)c1 Show InChI InChI=1S/C26H25ClN2O3/c1-16-6-3-4-7-20(16)25(31)28-19-10-11-21(17(2)14-19)26(32)29-13-5-8-24(30)22-15-18(27)9-12-23(22)29/h3-4,6-7,9-12,14-15,24,30H,5,8,13H2,1-2H3,(H,28,31)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Second Tokushima Institute of New Drug Research Curated by PDSP Ki Database									J Pharmacol Exp Ther 287: 860-7 (1998) BindingDB Entry DOI: 10.7270/Q2S46QGC
					More data for this Ligand-Target Pair
Chymotrypsin-like elastase family member 1/2A (Sus scrofa (Pig))	BDBM50226400 (CHEMBL3143923) Show SMILES COC(=O)CCC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)CN(C(C)C)C(=O)Sc1nnnn1C |r| Show InChI InChI=1S/C23H36N8O7S/c1-13(2)31(23(37)39-22-26-27-28-29(22)5)12-17(32)16-8-7-11-30(16)21(36)15(4)25-20(35)14(3)24-18(33)9-10-19(34)38-6/h13-16H,7-12H2,1-6H3,(H,24,33)(H,25,35)/t14-,15-,16-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.95E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound is evaluated for the inhibition of porcine pancreatic (PP) elastase				J Med Chem 29: 1468-76 (1986) BindingDB Entry DOI: 10.7270/Q2NG4ST4
					More data for this Ligand-Target Pair
Chymotrypsin-like elastase family member 1/2A (Sus scrofa (Pig))	BDBM50226396 (CHEMBL3143922) Show SMILES COC(=O)CCC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)CN(C(C)C)C(=O)Oc1ccccc1 |r| Show InChI InChI=1S/C27H38N4O8/c1-17(2)31(27(37)39-20-10-7-6-8-11-20)16-22(32)21-12-9-15-30(21)26(36)19(4)29-25(35)18(3)28-23(33)13-14-24(34)38-5/h6-8,10-11,17-19,21H,9,12-16H2,1-5H3,(H,28,33)(H,29,35)/t18-,19-,21-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.15E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound is evaluated for the inhibition of porcine pancreatic (PP) elastase				J Med Chem 29: 1468-76 (1986) BindingDB Entry DOI: 10.7270/Q2NG4ST4
					More data for this Ligand-Target Pair
Chymotrypsin-like elastase family member 1/2A (Sus scrofa (Pig))	BDBM50226401 (CHEMBL3143927) Show SMILES COC(=O)CCC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)CN(C(C)C)C(=O)Oc1c(F)c(F)c(F)c(F)c1F |r| Show InChI InChI=1S/C27H33F5N4O8/c1-12(2)36(27(42)44-24-22(31)20(29)19(28)21(30)23(24)32)11-16(37)15-7-6-10-35(15)26(41)14(4)34-25(40)13(3)33-17(38)8-9-18(39)43-5/h12-15H,6-11H2,1-5H3,(H,33,38)(H,34,40)/t13-,14-,15-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound is evaluated for the inhibition of porcine pancreatic (PP) elastase				J Med Chem 29: 1468-76 (1986) BindingDB Entry DOI: 10.7270/Q2NG4ST4
					More data for this Ligand-Target Pair
Chymotrypsin-like elastase family member 1/2A (Sus scrofa (Pig))	BDBM50226397 (CHEMBL3143925) Show SMILES COC(=O)CCC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)CN(C(C)C)C(=O)Oc1ccc(cc1)[N+]([O-])=O |r| Show InChI InChI=1S/C27H37N5O10/c1-16(2)31(27(38)42-20-10-8-19(9-11-20)32(39)40)15-22(33)21-7-6-14-30(21)26(37)18(4)29-25(36)17(3)28-23(34)12-13-24(35)41-5/h8-11,16-18,21H,6-7,12-15H2,1-5H3,(H,28,34)(H,29,36)/t17-,18-,21-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.25E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound is evaluated for the inhibition of porcine pancreatic (PP) elastase				J Med Chem 29: 1468-76 (1986) BindingDB Entry DOI: 10.7270/Q2NG4ST4
					More data for this Ligand-Target Pair
Chymotrypsin-like elastase family member 1/2A (Sus scrofa (Pig))	BDBM50226398 (CHEMBL3143926) Show SMILES COC(=O)CCC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)CN(C(C)C)C(=O)OCC(F)(F)C(F)(F)C(F)(F)F |r| Show InChI InChI=1S/C25H35F7N4O8/c1-13(2)36(22(42)44-12-23(26,27)24(28,29)25(30,31)32)11-17(37)16-7-6-10-35(16)21(41)15(4)34-20(40)14(3)33-18(38)8-9-19(39)43-5/h13-16H,6-12H2,1-5H3,(H,33,38)(H,34,40)/t14-,15-,16-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	8.21E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound is evaluated for the inhibition of porcine pancreatic (PP) elastase				J Med Chem 29: 1468-76 (1986) BindingDB Entry DOI: 10.7270/Q2NG4ST4
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human))	BDBM50403016 (CHEMBL2207845) Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(C)=O)C(=O)N[C@@H](Cc1cncn1CCCCCCCCc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)OP(O)(O)=O)C(N)=O |r| Show InChI InChI=1S/C40H63N8O11P/c1-26(2)21-31(44-40(55)34-18-14-20-48(34)28(4)50)37(52)43-32(38(53)45-33(24-49)39(54)46-35(36(41)51)27(3)59-60(56,57)58)22-30-23-42-25-47(30)19-13-8-6-5-7-10-15-29-16-11-9-12-17-29/h9,11-12,16-17,23,25-27,31-35,49H,5-8,10,13-15,18-22,24H2,1-4H3,(H2,41,51)(H,43,52)(H,44,55)(H,45,53)(H,46,54)(H2,56,57,58)/t27-,31+,32+,33+,34+,35+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute-Frederick Curated by ChEMBL					Assay Description Inhibition of 5CF-GPMQSpTPLNG-NH2 binding to Plk1 C-terminal polo-box domain (unknown origin) preincubated for 30 mins followed by probe addition mea...				Bioorg Med Chem Lett 28: 3202-3205 (2018) Article DOI: 10.1016/j.bmcl.2018.08.018 BindingDB Entry DOI: 10.7270/Q25Q4ZST
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human))	BDBM50467110 (CHEMBL4278200) Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(C)=O)C(=O)N[C@H]1Cc2c[n+](CCCCCCNC(=O)[C@@H](NC(=O)[C@H](CO)NC1=O)[C@@H](C)OP(O)(O)=O)cn2CCCCCCCCc1ccccc1 |r| Show InChI InChI=1S/C46H73N8O11P/c1-32(2)27-37(49-45(60)40-22-18-26-54(40)34(4)56)42(57)48-38-28-36-29-52(31-53(36)25-17-9-6-5-7-12-19-35-20-13-11-14-21-35)24-16-10-8-15-23-47-46(61)41(33(3)65-66(62,63)64)51-44(59)39(30-55)50-43(38)58/h11,13-14,20-21,29,31-33,37-41,55H,5-10,12,15-19,22-28,30H2,1-4H3,(H6-,47,48,49,50,51,57,58,59,60,61,62,63,64)/p+1/t33-,37+,38+,39+,40+,41+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute-Frederick Curated by ChEMBL					Assay Description Inhibition of 5CF-GPMQSpTPLNG-NH2 binding to Plk1 C-terminal polo-box domain (unknown origin) preincubated for 30 mins followed by probe addition mea...				Bioorg Med Chem Lett 28: 3202-3205 (2018) Article DOI: 10.1016/j.bmcl.2018.08.018 BindingDB Entry DOI: 10.7270/Q25Q4ZST
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human))	BDBM50467111 (CHEMBL4281659) Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(C)=O)C(=O)N[C@H]1Cc2c[n+](CCCCCNC(=O)[C@@H](NC(=O)[C@H](CO)NC1=O)[C@@H](C)OP(O)(O)=O)cn2CCCCCCCCc1ccccc1 |r| Show InChI InChI=1S/C45H71N8O11P/c1-31(2)26-36(48-44(59)39-21-17-25-53(39)33(4)55)41(56)47-37-27-35-28-51(30-52(35)24-16-8-6-5-7-11-18-34-19-12-9-13-20-34)23-15-10-14-22-46-45(60)40(32(3)64-65(61,62)63)50-43(58)38(29-54)49-42(37)57/h9,12-13,19-20,28,30-32,36-40,54H,5-8,10-11,14-18,21-27,29H2,1-4H3,(H6-,46,47,48,49,50,56,57,58,59,60,61,62,63)/p+1/t32-,36+,37+,38+,39+,40+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute-Frederick Curated by ChEMBL					Assay Description Inhibition of 5CF-GPMQSpTPLNG-NH2 binding to Plk1 C-terminal polo-box domain (unknown origin) preincubated for 30 mins followed by probe addition mea...				Bioorg Med Chem Lett 28: 3202-3205 (2018) Article DOI: 10.1016/j.bmcl.2018.08.018 BindingDB Entry DOI: 10.7270/Q25Q4ZST
					More data for this Ligand-Target Pair
Adenosine deaminase (Homo sapiens (Human))	BDBM22947 (1-[(2R)-4-{5-[3-(4-chlorophenyl)propoxy]-1-methyl-...) Show SMILES Cn1cc(CC[C@H](CO)n2cnc(c2)C(N)=O)c2cc(OCCCc3ccc(Cl)cc3)ccc12 |r| Show InChI InChI=1S/C26H29ClN4O3/c1-30-14-19(6-9-21(16-32)31-15-24(26(28)33)29-17-31)23-13-22(10-11-25(23)30)34-12-2-3-18-4-7-20(27)8-5-18/h4-5,7-8,10-11,13-15,17,21,32H,2-3,6,9,12,16H2,1H3,(H2,28,33)/t21-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.70	n/a	n/a	n/a	n/a	n/a	n/a
Fujisawa Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Inhibitory concentration against adenosine deaminase				J Med Chem 48: 4750-3 (2005) Article DOI: 10.1021/jm050413g BindingDB Entry DOI: 10.7270/Q2JD4WBG
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human))	BDBM50467112 (CHEMBL4287557) Show SMILES C[C@@H](OP(O)(O)=O)[C@@H]1NC(=O)[C@H](CO)NC(=O)[C@H](Cc2c[n+](CCCCCNC1=O)cn2CCCCCCCCc1ccccc1)NC(C)=O |r| Show InChI InChI=1S/C34H53N6O9P/c1-25(49-50(46,47)48)31-34(45)35-18-12-8-13-19-39-22-28(21-29(36-26(2)42)32(43)37-30(23-41)33(44)38-31)40(24-39)20-14-6-4-3-5-9-15-27-16-10-7-11-17-27/h7,10-11,16-17,22,24-25,29-31,41H,3-6,8-9,12-15,18-21,23H2,1-2H3,(H5-,35,36,37,38,42,43,44,45,46,47,48)/p+1/t25-,29+,30+,31+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute-Frederick Curated by ChEMBL					Assay Description Inhibition of 5CF-GPMQSpTPLNG-NH2 binding to Plk1 C-terminal polo-box domain (unknown origin) preincubated for 30 mins followed by probe addition mea...				Bioorg Med Chem Lett 28: 3202-3205 (2018) Article DOI: 10.1016/j.bmcl.2018.08.018 BindingDB Entry DOI: 10.7270/Q25Q4ZST
					More data for this Ligand-Target Pair
Adenosine deaminase (Homo sapiens (Human))	BDBM50170633 (1-((1R,2S)-1-{2-[2-(4-Chloro-phenyl)-benzooxazol-7...) Show SMILES C[C@H](O)[C@@H](CCc1cccc2nc(oc12)-c1ccc(Cl)cc1)n1cnc(c1)C(N)=O Show InChI InChI=1S/C22H21ClN4O3/c1-13(28)19(27-11-18(21(24)29)25-12-27)10-7-14-3-2-4-17-20(14)30-22(26-17)15-5-8-16(23)9-6-15/h2-6,8-9,11-13,19,28H,7,10H2,1H3,(H2,24,29)/t13-,19+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.60	n/a	n/a	n/a	n/a	n/a	n/a
Fujisawa Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Inhibitory concentration against adenosine deaminase				J Med Chem 48: 4750-3 (2005) Article DOI: 10.1021/jm050413g BindingDB Entry DOI: 10.7270/Q2JD4WBG
					More data for this Ligand-Target Pair
Adenosine deaminase (Homo sapiens (Human))	BDBM50170634 (1-((1R,2S)-1-{2-[2-(4-Chloro-phenyl)-benzooxazol-4...) Show SMILES C[C@H](O)[C@@H](CCc1cccc2oc(nc12)-c1ccc(Cl)cc1)n1cnc(c1)C(N)=O Show InChI InChI=1S/C22H21ClN4O3/c1-13(28)18(27-11-17(21(24)29)25-12-27)10-7-14-3-2-4-19-20(14)26-22(30-19)15-5-8-16(23)9-6-15/h2-6,8-9,11-13,18,28H,7,10H2,1H3,(H2,24,29)/t13-,18+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.70	n/a	n/a	n/a	n/a	n/a	n/a
Fujisawa Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Inhibitory concentration against adenosine deaminase				J Med Chem 48: 4750-3 (2005) Article DOI: 10.1021/jm050413g BindingDB Entry DOI: 10.7270/Q2JD4WBG
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human))	BDBM50467109 (CHEMBL4292295) Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(C)=O)C(=O)N[C@H]1Cc2c[n+](CCCCNC(=O)[C@@H](NC(=O)[C@H](CO)NC1=O)[C@@H](C)OP(O)(O)=O)cn2CCCCCCCCc1ccccc1 |r| Show InChI InChI=1S/C44H69N8O11P/c1-30(2)25-35(47-43(58)38-20-16-24-52(38)32(4)54)40(55)46-36-26-34-27-50(29-51(34)23-14-8-6-5-7-10-17-33-18-11-9-12-19-33)22-15-13-21-45-44(59)39(31(3)63-64(60,61)62)49-42(57)37(28-53)48-41(36)56/h9,11-12,18-19,27,29-31,35-39,53H,5-8,10,13-17,20-26,28H2,1-4H3,(H6-,45,46,47,48,49,55,56,57,58,59,60,61,62)/p+1/t31-,35+,36+,37+,38+,39+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute-Frederick Curated by ChEMBL					Assay Description Inhibition of 5CF-GPMQSpTPLNG-NH2 binding to Plk1 C-terminal polo-box domain (unknown origin) preincubated for 30 mins followed by probe addition mea...				Bioorg Med Chem Lett 28: 3202-3205 (2018) Article DOI: 10.1016/j.bmcl.2018.08.018 BindingDB Entry DOI: 10.7270/Q25Q4ZST
					More data for this Ligand-Target Pair
Adenosine deaminase (Homo sapiens (Human))	BDBM22949 (1-[(3R,4S)-1-(2,3-dichlorophenyl)-4-hydroxypentan-...) Show SMILES C[C@H](O)[C@@H](CCc1cccc(Cl)c1Cl)n1cnc(c1)C(N)=O |r| Show InChI InChI=1S/C15H17Cl2N3O2/c1-9(21)13(20-7-12(15(18)22)19-8-20)6-5-10-3-2-4-11(16)14(10)17/h2-4,7-9,13,21H,5-6H2,1H3,(H2,18,22)/t9-,13+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents	MMDB PDB Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Fujisawa Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Inhibitory concentration against adenosine deaminase				J Med Chem 48: 4750-3 (2005) Article DOI: 10.1021/jm050413g BindingDB Entry DOI: 10.7270/Q2JD4WBG
					More data for this Ligand-Target Pair				3D Structure (crystal)
Adenosine deaminase (Homo sapiens (Human))	BDBM22948 (1-[(1R,2S)-2-hydroxy-1-(2-naphthalen-1-ylethyl)pro...) Show SMILES C[C@H](O)[C@@H](CCc1cccc2ccccc12)n1cnc(c1)C(N)=O |r| Show InChI InChI=1S/C19H21N3O2/c1-13(23)18(22-11-17(19(20)24)21-12-22)10-9-15-7-4-6-14-5-2-3-8-16(14)15/h2-8,11-13,18,23H,9-10H2,1H3,(H2,20,24)/t13-,18+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Fujisawa Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Inhibitory concentration against adenosine deaminase				J Med Chem 48: 4750-3 (2005) Article DOI: 10.1021/jm050413g BindingDB Entry DOI: 10.7270/Q2JD4WBG
					More data for this Ligand-Target Pair				3D Structure (crystal)
Envelope glycoprotein gp160 (Human immunodeficiency virus 1)	BDBM50568672 (CHEMBL4863234) Show SMILES COCCOCCOCCOCCOCCNC(=O)CCC(=O)OC(CCCNC(N)=N)C(=O)NCCN1CCC(CC11CCCCC1)NC(=O)C(=O)Nc1ccc(Cl)cc1 Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of HIV1 KP-5mvcR gp120 interaction with CD4 in human TZM-bl cells assessed as decrease in viral entry by MTT assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01153 BindingDB Entry DOI: 10.7270/Q2BC4399
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human))	BDBM50467110 (CHEMBL4278200) Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(C)=O)C(=O)N[C@H]1Cc2c[n+](CCCCCCNC(=O)[C@@H](NC(=O)[C@H](CO)NC1=O)[C@@H](C)OP(O)(O)=O)cn2CCCCCCCCc1ccccc1 |r| Show InChI InChI=1S/C46H73N8O11P/c1-32(2)27-37(49-45(60)40-22-18-26-54(40)34(4)56)42(57)48-38-28-36-29-52(31-53(36)25-17-9-6-5-7-12-19-35-20-13-11-14-21-35)24-16-10-8-15-23-47-46(61)41(33(3)65-66(62,63)64)51-44(59)39(30-55)50-43(38)58/h11,13-14,20-21,29,31-33,37-41,55H,5-10,12,15-19,22-28,30H2,1-4H3,(H6-,47,48,49,50,51,57,58,59,60,61,62,63,64)/p+1/t33-,37+,38+,39+,40+,41+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	44	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute-Frederick Curated by ChEMBL					Assay Description Inhibition of full-length myc-tagged Plk1 C-terminal polo-box domain (unknown origin) assessed as inhibition of Plk1-Biotin-Ahx-PMQS(pT)PLN-NH2 pepti...				Bioorg Med Chem Lett 28: 3202-3205 (2018) Article DOI: 10.1016/j.bmcl.2018.08.018 BindingDB Entry DOI: 10.7270/Q25Q4ZST
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human))	BDBM50467111 (CHEMBL4281659) Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(C)=O)C(=O)N[C@H]1Cc2c[n+](CCCCCNC(=O)[C@@H](NC(=O)[C@H](CO)NC1=O)[C@@H](C)OP(O)(O)=O)cn2CCCCCCCCc1ccccc1 |r| Show InChI InChI=1S/C45H71N8O11P/c1-31(2)26-36(48-44(59)39-21-17-25-53(39)33(4)55)41(56)47-37-27-35-28-51(30-52(35)24-16-8-6-5-7-11-18-34-19-12-9-13-20-34)23-15-10-14-22-46-45(60)40(32(3)64-65(61,62)63)50-43(58)38(29-54)49-42(37)57/h9,12-13,19-20,28,30-32,36-40,54H,5-8,10-11,14-18,21-27,29H2,1-4H3,(H6-,46,47,48,49,50,56,57,58,59,60,61,62,63)/p+1/t32-,36+,37+,38+,39+,40+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute-Frederick Curated by ChEMBL					Assay Description Inhibition of full-length myc-tagged Plk1 C-terminal polo-box domain (unknown origin) assessed as inhibition of Plk1-Biotin-Ahx-PMQS(pT)PLN-NH2 pepti...				Bioorg Med Chem Lett 28: 3202-3205 (2018) Article DOI: 10.1016/j.bmcl.2018.08.018 BindingDB Entry DOI: 10.7270/Q25Q4ZST
					More data for this Ligand-Target Pair
Envelope glycoprotein gp160 (Human immunodeficiency virus 1)	BDBM50568670 (CHEMBL4849790) Show SMILES COCCOCCOCCOCCOCCNC(=O)CCC(=O)OC(CCCN)C(=O)NCCN1CCC(CC11CCCCC1)NC(=O)C(=O)Nc1ccc(Cl)cc1 Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of HIV1 KP-5mvcR gp120 interaction with CD4 in human TZM-bl cells assessed as decrease in viral entry by MTT assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01153 BindingDB Entry DOI: 10.7270/Q2BC4399
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK3 (Homo sapiens (Human))	BDBM50467110 (CHEMBL4278200) Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(C)=O)C(=O)N[C@H]1Cc2c[n+](CCCCCCNC(=O)[C@@H](NC(=O)[C@H](CO)NC1=O)[C@@H](C)OP(O)(O)=O)cn2CCCCCCCCc1ccccc1 |r| Show InChI InChI=1S/C46H73N8O11P/c1-32(2)27-37(49-45(60)40-22-18-26-54(40)34(4)56)42(57)48-38-28-36-29-52(31-53(36)25-17-9-6-5-7-12-19-35-20-13-11-14-21-35)24-16-10-8-15-23-47-46(61)41(33(3)65-66(62,63)64)51-44(59)39(30-55)50-43(38)58/h11,13-14,20-21,29,31-33,37-41,55H,5-10,12,15-19,22-28,30H2,1-4H3,(H6-,47,48,49,50,51,57,58,59,60,61,62,63,64)/p+1/t33-,37+,38+,39+,40+,41+/m1/s1	PDB NCI pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute-Frederick Curated by ChEMBL					Assay Description Inhibition of 5CF-PLATSpTPKNG-NH2 binding to Plk3 C-terminal polo-box domain (unknown origin) preincubated for 30 mins followed by probe addition mea...				Bioorg Med Chem Lett 28: 3202-3205 (2018) Article DOI: 10.1016/j.bmcl.2018.08.018 BindingDB Entry DOI: 10.7270/Q25Q4ZST
					More data for this Ligand-Target Pair
Envelope glycoprotein gp160 (Human immunodeficiency virus 1)	BDBM50568674 (CHEMBL4873341) Show SMILES COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCCN1CCC(CC11CCCCC1)NC(=O)C(=O)Nc1ccc(Cl)cc1 |r| Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of HIV1 KP-5mvcR gp120 interaction with CD4 in human TZM-bl cells assessed as decrease in viral entry by MTT assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01153 BindingDB Entry DOI: 10.7270/Q2BC4399
					More data for this Ligand-Target Pair
Envelope glycoprotein gp160 (Human immunodeficiency virus 1)	BDBM50568675 (CHEMBL4863569) Show SMILES COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCCN1CCC(CC11CCCCC1)NC(=O)C(=O)Nc1ccc(Cl)cc1 |r| Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of HIV1 KP-5mvcR gp120 interaction with CD4 in human TZM-bl cells assessed as decrease in viral entry by MTT assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01153 BindingDB Entry DOI: 10.7270/Q2BC4399
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK2 (Homo sapiens (Human))	BDBM50467110 (CHEMBL4278200) Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(C)=O)C(=O)N[C@H]1Cc2c[n+](CCCCCCNC(=O)[C@@H](NC(=O)[C@H](CO)NC1=O)[C@@H](C)OP(O)(O)=O)cn2CCCCCCCCc1ccccc1 |r| Show InChI InChI=1S/C46H73N8O11P/c1-32(2)27-37(49-45(60)40-22-18-26-54(40)34(4)56)42(57)48-38-28-36-29-52(31-53(36)25-17-9-6-5-7-12-19-35-20-13-11-14-21-35)24-16-10-8-15-23-47-46(61)41(33(3)65-66(62,63)64)51-44(59)39(30-55)50-43(38)58/h11,13-14,20-21,29,31-33,37-41,55H,5-10,12,15-19,22-28,30H2,1-4H3,(H6-,47,48,49,50,51,57,58,59,60,61,62,63,64)/p+1/t33-,37+,38+,39+,40+,41+/m1/s1	PDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute-Frederick Curated by ChEMBL					Assay Description Inhibition of 5CF-GPMQTSpTPKNG-NH2 binding to Plk2 C-terminal polo-box domain (unknown origin) preincubated for 30 mins followed by probe addition me...				Bioorg Med Chem Lett 28: 3202-3205 (2018) Article DOI: 10.1016/j.bmcl.2018.08.018 BindingDB Entry DOI: 10.7270/Q25Q4ZST
					More data for this Ligand-Target Pair
Envelope glycoprotein gp160 (Human immunodeficiency virus 1)	BDBM50568661 (CHEMBL4863990) Show SMILES NC(=N)NCCCCC(=O)NCCN1CCC(CC11CCCCC1)NC(=O)C(=O)Nc1ccc(Cl)cc1 Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of HIV1 KP-5mvcR gp120 interaction with CD4 in human TZM-bl cells assessed as decrease in viral entry by MTT assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01153 BindingDB Entry DOI: 10.7270/Q2BC4399
					More data for this Ligand-Target Pair
Envelope glycoprotein gp160 (Human immunodeficiency virus 1)	BDBM50568673 (CHEMBL4876176) Show SMILES COCCOCCOCCOCCOCCNC(=O)CCC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCCN1CCC(CC11CCCCC1)NC(=O)C(=O)Nc1ccc(Cl)cc1 |r| Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of HIV1 KP-5mvcR gp120 interaction with CD4 in human TZM-bl cells assessed as decrease in viral entry by MTT assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01153 BindingDB Entry DOI: 10.7270/Q2BC4399
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK3 (Homo sapiens (Human))	BDBM50467111 (CHEMBL4281659) Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(C)=O)C(=O)N[C@H]1Cc2c[n+](CCCCCNC(=O)[C@@H](NC(=O)[C@H](CO)NC1=O)[C@@H](C)OP(O)(O)=O)cn2CCCCCCCCc1ccccc1 |r| Show InChI InChI=1S/C45H71N8O11P/c1-31(2)26-36(48-44(59)39-21-17-25-53(39)33(4)55)41(56)47-37-27-35-28-51(30-52(35)24-16-8-6-5-7-11-18-34-19-12-9-13-20-34)23-15-10-14-22-46-45(60)40(32(3)64-65(61,62)63)50-43(58)38(29-54)49-42(37)57/h9,12-13,19-20,28,30-32,36-40,54H,5-8,10-11,14-18,21-27,29H2,1-4H3,(H6-,46,47,48,49,50,56,57,58,59,60,61,62,63)/p+1/t32-,36+,37+,38+,39+,40+/m1/s1	PDB NCI pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute-Frederick Curated by ChEMBL					Assay Description Inhibition of 5CF-PLATSpTPKNG-NH2 binding to Plk3 C-terminal polo-box domain (unknown origin) preincubated for 30 mins followed by probe addition mea...				Bioorg Med Chem Lett 28: 3202-3205 (2018) Article DOI: 10.1016/j.bmcl.2018.08.018 BindingDB Entry DOI: 10.7270/Q25Q4ZST
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK2 (Homo sapiens (Human))	BDBM50467111 (CHEMBL4281659) Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(C)=O)C(=O)N[C@H]1Cc2c[n+](CCCCCNC(=O)[C@@H](NC(=O)[C@H](CO)NC1=O)[C@@H](C)OP(O)(O)=O)cn2CCCCCCCCc1ccccc1 |r| Show InChI InChI=1S/C45H71N8O11P/c1-31(2)26-36(48-44(59)39-21-17-25-53(39)33(4)55)41(56)47-37-27-35-28-51(30-52(35)24-16-8-6-5-7-11-18-34-19-12-9-13-20-34)23-15-10-14-22-46-45(60)40(32(3)64-65(61,62)63)50-43(58)38(29-54)49-42(37)57/h9,12-13,19-20,28,30-32,36-40,54H,5-8,10-11,14-18,21-27,29H2,1-4H3,(H6-,46,47,48,49,50,56,57,58,59,60,61,62,63)/p+1/t32-,36+,37+,38+,39+,40+/m1/s1	PDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute-Frederick Curated by ChEMBL					Assay Description Inhibition of 5CF-GPMQTSpTPKNG-NH2 binding to Plk2 C-terminal polo-box domain (unknown origin) preincubated for 30 mins followed by probe addition me...				Bioorg Med Chem Lett 28: 3202-3205 (2018) Article DOI: 10.1016/j.bmcl.2018.08.018 BindingDB Entry DOI: 10.7270/Q25Q4ZST
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human))	BDBM50403016 (CHEMBL2207845) Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(C)=O)C(=O)N[C@@H](Cc1cncn1CCCCCCCCc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)OP(O)(O)=O)C(N)=O |r| Show InChI InChI=1S/C40H63N8O11P/c1-26(2)21-31(44-40(55)34-18-14-20-48(34)28(4)50)37(52)43-32(38(53)45-33(24-49)39(54)46-35(36(41)51)27(3)59-60(56,57)58)22-30-23-42-25-47(30)19-13-8-6-5-7-10-15-29-16-11-9-12-17-29/h9,11-12,16-17,23,25-27,31-35,49H,5-8,10,13-15,18-22,24H2,1-4H3,(H2,41,51)(H,43,52)(H,44,55)(H,45,53)(H,46,54)(H2,56,57,58)/t27-,31+,32+,33+,34+,35+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute-Frederick Curated by ChEMBL					Assay Description Inhibition of full-length myc-tagged Plk1 C-terminal polo-box domain (unknown origin) assessed as inhibition of Plk1-Biotin-Ahx-PMQS(pT)PLN-NH2 pepti...				Bioorg Med Chem Lett 28: 3202-3205 (2018) Article DOI: 10.1016/j.bmcl.2018.08.018 BindingDB Entry DOI: 10.7270/Q25Q4ZST
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human))	BDBM50467109 (CHEMBL4292295) Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(C)=O)C(=O)N[C@H]1Cc2c[n+](CCCCNC(=O)[C@@H](NC(=O)[C@H](CO)NC1=O)[C@@H](C)OP(O)(O)=O)cn2CCCCCCCCc1ccccc1 |r| Show InChI InChI=1S/C44H69N8O11P/c1-30(2)25-35(47-43(58)38-20-16-24-52(38)32(4)54)40(55)46-36-26-34-27-50(29-51(34)23-14-8-6-5-7-10-17-33-18-11-9-12-19-33)22-15-13-21-45-44(59)39(31(3)63-64(60,61)62)49-42(57)37(28-53)48-41(36)56/h9,11-12,18-19,27,29-31,35-39,53H,5-8,10,13-17,20-26,28H2,1-4H3,(H6-,45,46,47,48,49,55,56,57,58,59,60,61,62)/p+1/t31-,35+,36+,37+,38+,39+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute-Frederick Curated by ChEMBL					Assay Description Inhibition of full-length myc-tagged Plk1 C-terminal polo-box domain (unknown origin) assessed as inhibition of Plk1-Biotin-Ahx-PMQS(pT)PLN-NH2 pepti...				Bioorg Med Chem Lett 28: 3202-3205 (2018) Article DOI: 10.1016/j.bmcl.2018.08.018 BindingDB Entry DOI: 10.7270/Q25Q4ZST
					More data for this Ligand-Target Pair
Envelope glycoprotein gp160 (Human immunodeficiency virus 1)	BDBM50333241 (CHEMBL254781 | N-(4-chlorophenyl)-N'-(2,2,6,6-tetr...) Show SMILES CC1(C)CC(CC(C)(C)N1)NC(=O)C(=O)Nc1ccc(Cl)cc1 Show InChI InChI=1S/C17H24ClN3O2/c1-16(2)9-13(10-17(3,4)21-16)20-15(23)14(22)19-12-7-5-11(18)6-8-12/h5-8,13,21H,9-10H2,1-4H3,(H,19,22)(H,20,23)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of HIV1 KP-5mvcR gp120 interaction with CD4 in human TZM-bl cells assessed as decrease in viral entry by MTT assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01153 BindingDB Entry DOI: 10.7270/Q2BC4399
					More data for this Ligand-Target Pair
Envelope glycoprotein gp160 (Human immunodeficiency virus 1)	BDBM50568663 (CHEMBL4859187) Show SMILES NC(=N)NCC(=O)NCCCC[C@H](NC(N)=N)C(=O)NCCN1CCC(CC11CCCCC1)NC(=O)C(=O)Nc1ccc(Cl)cc1 |r| Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of HIV1 KP-5mvcR gp120 interaction with CD4 in human TZM-bl cells assessed as decrease in viral entry by MTT assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01153 BindingDB Entry DOI: 10.7270/Q2BC4399
					More data for this Ligand-Target Pair

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