Compile Data Set for Download or QSAR

Found 1925 hits with Last Name = 'little' and Initial = 't'   

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
Prothrombin (Homo sapiens (Human))	BDBM50071565 (2-(2,2-Diphenyl-ethyl)-7-methyl-1,3-dioxo-2,3,5,8-...) Show SMILES CC1=CC(C(=O)NC(CCCCN)C(=O)C(=O)NCCc2ccc(cc2)C(N)=O)n2n(C1)c(=O)n(CC(c1ccccc1)c1ccccc1)c2=O |t:1| Show InChI InChI=1S/C38H43N7O6/c1-25-22-32(35(48)42-31(14-8-9-20-39)33(46)36(49)41-21-19-26-15-17-29(18-16-26)34(40)47)45-38(51)43(37(50)44(45)23-25)24-30(27-10-4-2-5-11-27)28-12-6-3-7-13-28/h2-7,10-13,15-18,22,30-32H,8-9,14,19-21,23-24,39H2,1H3,(H2,40,47)(H,41,49)(H,42,48)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0350	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Molecumetics Ltd. Curated by ChEMBL					Assay Description Compound was evaluated for its binding affinity to the thrombin				Bioorg Med Chem Lett 8: 2321-6 (1999) BindingDB Entry DOI: 10.7270/Q29C6WKV
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50071575 (2,2-Dibutyl-7-methyl-1,3-dioxo-2,3,5,8-tetrahydro-...) Show SMILES CCCCC1(CCCC)C(=O)N2CC(C)=CC(N2C1=O)C(=O)NC(CCCCN)C(=O)C(=O)NCCc1ccc(cc1)C(N)=O |c:14| Show InChI InChI=1S/C33H48N6O6/c1-4-6-16-33(17-7-5-2)31(44)38-21-22(3)20-26(39(38)32(33)45)29(42)37-25(10-8-9-18-34)27(40)30(43)36-19-15-23-11-13-24(14-12-23)28(35)41/h11-14,20,25-26H,4-10,15-19,21,34H2,1-3H3,(H2,35,41)(H,36,43)(H,37,42)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Molecumetics Ltd. Curated by ChEMBL					Assay Description Compound was evaluated for its binding affinity to the thrombin				Bioorg Med Chem Lett 8: 2321-6 (1999) BindingDB Entry DOI: 10.7270/Q29C6WKV
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM50071570 (8-Isobutyl-2-(4-methoxy-phenyl)-1,3-dioxo-2,3,5,8-...) Show SMILES COc1ccc(cc1)-n1c(=O)n2C(CC(C)C)C=CC(C(=O)NC(CCCCN)C(=O)C(=O)NCCc3ccc(cc3)C(N)=O)n2c1=O |c:18| Show InChI InChI=1S/C34H43N7O7/c1-21(2)20-25-13-16-28(41-34(47)39(33(46)40(25)41)24-11-14-26(48-3)15-12-24)31(44)38-27(6-4-5-18-35)29(42)32(45)37-19-17-22-7-9-23(10-8-22)30(36)43/h7-16,21,25,27-28H,4-6,17-20,35H2,1-3H3,(H2,36,43)(H,37,45)(H,38,44)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Molecumetics Ltd. Curated by ChEMBL					Assay Description Compound was evaluated for its binding affinity to the trypsin enzyme				Bioorg Med Chem Lett 8: 2321-6 (1999) BindingDB Entry DOI: 10.7270/Q29C6WKV
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50071573 (2-(2,2-Diphenyl-ethyl)-1,3-dioxo-2,3,5,8-tetrahydr...) Show SMILES NCCCCC(NC(=O)C1C=CCn2n1c(=O)n(CC(c1ccccc1)c1ccccc1)c2=O)C(=O)C(=O)NCCc1ccc(cc1)C(N)=O |c:10| Show InChI InChI=1S/C37H41N7O6/c38-21-8-7-14-30(32(45)35(48)40-22-20-25-16-18-28(19-17-25)33(39)46)41-34(47)31-15-9-23-43-36(49)42(37(50)44(31)43)24-29(26-10-3-1-4-11-26)27-12-5-2-6-13-27/h1-6,9-13,15-19,29-31H,7-8,14,20-24,38H2,(H2,39,46)(H,40,48)(H,41,47)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Molecumetics Ltd. Curated by ChEMBL					Assay Description Compound was evaluated for its binding affinity to the thrombin				Bioorg Med Chem Lett 8: 2321-6 (1999) BindingDB Entry DOI: 10.7270/Q29C6WKV
					More data for this Ligand-Target Pair
Bombesin receptor subtype-3 (Homo sapiens (Human))	BDBM50275902 (CHEMBL525577 | D-Phe-Gln-Trp-Ala-Val-b-Ala-His-Phe...) Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](C)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](N)Cc1ccccc1)C(C)C)C(N)=O |r| Show InChI InChI=1S/C57H76N14O10/c1-6-7-21-42(49(60)73)66-55(79)44(26-36-18-12-9-13-19-36)69-56(80)46(28-38-30-61-31-63-38)68-50(74)33(4)65-57(81)48(32(2)3)71-51(75)34(5)64-54(78)45(27-37-29-62-41-22-15-14-20-39(37)41)70-53(77)43(23-24-47(59)72)67-52(76)40(58)25-35-16-10-8-11-17-35/h8-20,22,29-34,40,42-46,48,62H,6-7,21,23-28,58H2,1-5H3,(H2,59,72)(H2,60,73)(H,61,63)(H,64,78)(H,65,81)(H,66,79)(H,67,76)(H,68,74)(H,69,80)(H,70,77)(H,71,75)/t33-,34+,40-,42+,43+,44+,45+,46+,48+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.360	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Binding affinity to BRS-3 receptor (unknown origin)				Bioorg Med Chem Lett 18: 5451-5 (2008) Article DOI: 10.1016/j.bmcl.2008.09.033 BindingDB Entry DOI: 10.7270/Q2H9952R
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM50071571 (8-Isobutyl-2-(3-methyl-butyl)-1,3-dioxo-2,3,5,8-te...) Show SMILES CC(C)CCn1c(=O)n2C(CC(C)C)C=CC(C(=O)NC(CCCCN)C(=O)C(=O)NCCc3ccc(cc3)C(N)=O)n2c1=O |c:14| Show InChI InChI=1S/C32H47N7O6/c1-20(2)15-18-37-31(44)38-24(19-21(3)4)12-13-26(39(38)32(37)45)29(42)36-25(7-5-6-16-33)27(40)30(43)35-17-14-22-8-10-23(11-9-22)28(34)41/h8-13,20-21,24-26H,5-7,14-19,33H2,1-4H3,(H2,34,41)(H,35,43)(H,36,42)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.430	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Molecumetics Ltd. Curated by ChEMBL					Assay Description Compound was evaluated for its binding affinity to the trypsin enzyme				Bioorg Med Chem Lett 8: 2321-6 (1999) BindingDB Entry DOI: 10.7270/Q29C6WKV
					More data for this Ligand-Target Pair
Gastrin-releasing peptide receptor (Homo sapiens (Human))	BDBM50275902 (CHEMBL525577 | D-Phe-Gln-Trp-Ala-Val-b-Ala-His-Phe...) Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](C)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](N)Cc1ccccc1)C(C)C)C(N)=O |r| Show InChI InChI=1S/C57H76N14O10/c1-6-7-21-42(49(60)73)66-55(79)44(26-36-18-12-9-13-19-36)69-56(80)46(28-38-30-61-31-63-38)68-50(74)33(4)65-57(81)48(32(2)3)71-51(75)34(5)64-54(78)45(27-37-29-62-41-22-15-14-20-39(37)41)70-53(77)43(23-24-47(59)72)67-52(76)40(58)25-35-16-10-8-11-17-35/h8-20,22,29-34,40,42-46,48,62H,6-7,21,23-28,58H2,1-5H3,(H2,59,72)(H2,60,73)(H,61,63)(H,64,78)(H,65,81)(H,66,79)(H,67,76)(H,68,74)(H,69,80)(H,70,77)(H,71,75)/t33-,34+,40-,42+,43+,44+,45+,46+,48+/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.990	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Binding affinity to gastrin releasing peptide receptor (unknown origin)				Bioorg Med Chem Lett 18: 5451-5 (2008) Article DOI: 10.1016/j.bmcl.2008.09.033 BindingDB Entry DOI: 10.7270/Q2H9952R
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50071568 (2-Amino-2-benzyl-7-methyl-1,3-dioxo-2,3,5,8-tetrah...) Show SMILES CC1=CC(N2N(C1)C(=O)C(N)(Cc1ccccc1)C2=O)C(=O)NC(CCCCN)C(=O)C(=O)NCc1ccc(cc1)C(N)=O |t:1| Show InChI InChI=1S/C31H37N7O6/c1-19-15-24(38-30(44)31(34,29(43)37(38)18-19)16-20-7-3-2-4-8-20)27(41)36-23(9-5-6-14-32)25(39)28(42)35-17-21-10-12-22(13-11-21)26(33)40/h2-4,7-8,10-13,15,23-24H,5-6,9,14,16-18,32,34H2,1H3,(H2,33,40)(H,35,42)(H,36,41)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Molecumetics Ltd. Curated by ChEMBL					Assay Description Compound was evaluated for its binding affinity to the thrombin				Bioorg Med Chem Lett 8: 2321-6 (1999) BindingDB Entry DOI: 10.7270/Q29C6WKV
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50071567 (2,2-Dibenzyl-7-methyl-1,3-dioxo-2,3,5,8-tetrahydro...) Show SMILES CC1=CC(N2N(C1)C(=O)C(Cc1ccccc1)(Cc1ccccc1)C2=O)C(=O)NC(CCCCN)C(=O)C(=O)NCCc1ccc(cc1)C(N)=O |t:1| Show InChI InChI=1S/C39H44N6O6/c1-26-22-32(35(48)43-31(14-8-9-20-40)33(46)36(49)42-21-19-27-15-17-30(18-16-27)34(41)47)45-38(51)39(37(50)44(45)25-26,23-28-10-4-2-5-11-28)24-29-12-6-3-7-13-29/h2-7,10-13,15-18,22,31-32H,8-9,14,19-21,23-25,40H2,1H3,(H2,41,47)(H,42,49)(H,43,48)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Molecumetics Ltd. Curated by ChEMBL					Assay Description Compound was evaluated for its binding affinity to the thrombin				Bioorg Med Chem Lett 8: 2321-6 (1999) BindingDB Entry DOI: 10.7270/Q29C6WKV
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50071566 (2-Amino-8-benzyl-2-ethyl-1,3-dioxo-2,3,5,8-tetrahy...) Show SMILES CCC1(N)C(=O)N2C(Cc3ccccc3)C=CC(N2C1=O)C(=O)NC(CCCCN)C(=O)C(N)=O |c:16| Show InChI InChI=1S/C24H32N6O5/c1-2-24(27)22(34)29-16(14-15-8-4-3-5-9-15)11-12-18(30(29)23(24)35)21(33)28-17(10-6-7-13-25)19(31)20(26)32/h3-5,8-9,11-12,16-18H,2,6-7,10,13-14,25,27H2,1H3,(H2,26,32)(H,28,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Molecumetics Ltd. Curated by ChEMBL					Assay Description Compound was evaluated for its binding affinity to the thrombin				Bioorg Med Chem Lett 8: 2321-6 (1999) BindingDB Entry DOI: 10.7270/Q29C6WKV
					More data for this Ligand-Target Pair
Genome polyprotein (Human rhinovirus B)	BDBM50065588 (CHEMBL96803 | [(S)-1-((S)-1-{(S)-1-Formyl-2-[(isox...) Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CNC(=O)c1ccno1)C=O Show InChI InChI=1S/C30H35N5O7/c1-20(2)15-24(35-30(40)41-19-22-11-7-4-8-12-22)28(38)34-25(16-21-9-5-3-6-10-21)27(37)33-23(18-36)17-31-29(39)26-13-14-32-42-26/h3-14,18,20,23-25H,15-17,19H2,1-2H3,(H,31,39)(H,33,37)(H,34,38)(H,35,40)/t23-,24-,25-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Agouron Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity against HRV-14 3C protease.				J Med Chem 41: 2786-805 (1998) Article DOI: 10.1021/jm980071x BindingDB Entry DOI: 10.7270/Q2F76BPF
					More data for this Ligand-Target Pair
Genome polyprotein (Human rhinovirus B)	BDBM50065603 (CHEMBL96185 | {(S)-1-[(S)-1-((S)-1-Formyl-3-methan...) Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCS(C)=O)C=O Show InChI InChI=1S/C28H37N3O6S/c1-20(2)16-24(31-28(35)37-19-22-12-8-5-9-13-22)27(34)30-25(17-21-10-6-4-7-11-21)26(33)29-23(18-32)14-15-38(3)36/h4-13,18,20,23-25H,14-17,19H2,1-3H3,(H,29,33)(H,30,34)(H,31,35)/t23-,24-,25-,38?/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Agouron Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity against HRV-14 3C protease.				J Med Chem 41: 2786-805 (1998) Article DOI: 10.1021/jm980071x BindingDB Entry DOI: 10.7270/Q2F76BPF
					More data for this Ligand-Target Pair
Genome polyprotein (Human rhinovirus B)	BDBM50065598 (CHEMBL419332 | {(S)-1-[(S)-1-((S)-3-Dimethylcarbam...) Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(=O)N(C)C)C=O Show InChI InChI=1S/C30H40N4O6/c1-21(2)17-25(33-30(39)40-20-23-13-9-6-10-14-23)29(38)32-26(18-22-11-7-5-8-12-22)28(37)31-24(19-35)15-16-27(36)34(3)4/h5-14,19,21,24-26H,15-18,20H2,1-4H3,(H,31,37)(H,32,38)(H,33,39)/t24-,25-,26-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Agouron Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity against HRV-14 3C protease.				J Med Chem 41: 2786-805 (1998) Article DOI: 10.1021/jm980071x BindingDB Entry DOI: 10.7270/Q2F76BPF
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50071574 (2,2-Diisobutyl-7-methyl-1,3-dioxo-2,3,5,8-tetrahyd...) Show SMILES CC(C)CC1(CC(C)C)C(=O)N2CC(C)=CC(N2C1=O)C(=O)NC(CCCCN)C(=O)C(=O)NCCc1ccc(cc1)C(N)=O |c:14| Show InChI InChI=1S/C33H48N6O6/c1-20(2)17-33(18-21(3)4)31(44)38-19-22(5)16-26(39(38)32(33)45)29(42)37-25(8-6-7-14-34)27(40)30(43)36-15-13-23-9-11-24(12-10-23)28(35)41/h9-12,16,20-21,25-26H,6-8,13-15,17-19,34H2,1-5H3,(H2,35,41)(H,36,43)(H,37,42)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Molecumetics Ltd. Curated by ChEMBL					Assay Description Compound was evaluated for its binding affinity to the thrombin				Bioorg Med Chem Lett 8: 2321-6 (1999) BindingDB Entry DOI: 10.7270/Q29C6WKV
					More data for this Ligand-Target Pair
Tryptase beta-2/delta/gamma (Homo sapiens (Human))	BDBM50216213 (CHEMBL306744) Show SMILES CC1=CC(C(=O)NC(CCCCN)C(=O)C(=O)NCCc2ccc(cc2)C(N)=O)n2n(C1)c(=O)n(C(c1ccccc1)c1ccccc1)c2=O |t:1| Show InChI InChI=1S/C37H41N7O6/c1-24-22-30(44-37(50)43(36(49)42(44)23-24)31(26-10-4-2-5-11-26)27-12-6-3-7-13-27)34(47)41-29(14-8-9-20-38)32(45)35(48)40-21-19-25-15-17-28(18-16-25)33(39)46/h2-7,10-13,15-18,22,29-31H,8-9,14,19-21,23,38H2,1H3,(H2,39,46)(H,40,48)(H,41,47)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Molecumetics Ltd. Curated by ChEMBL					Assay Description Compound was evaluated for its binding affinity to the tryptase				Bioorg Med Chem Lett 8: 2321-6 (1999) BindingDB Entry DOI: 10.7270/Q29C6WKV
					More data for this Ligand-Target Pair
Genome polyprotein (Human rhinovirus B)	BDBM50065590 (((S)-1-{(S)-1-[(S)-1-(Acetylamino-methyl)-2-oxo-et...) Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CNC(C)=O)C=O Show InChI InChI=1S/C28H36N4O6/c1-19(2)14-24(32-28(37)38-18-22-12-8-5-9-13-22)27(36)31-25(15-21-10-6-4-7-11-21)26(35)30-23(17-33)16-29-20(3)34/h4-13,17,19,23-25H,14-16,18H2,1-3H3,(H,29,34)(H,30,35)(H,31,36)(H,32,37)/t23-,24-,25-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Agouron Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity against HRV-14 3C protease.				J Med Chem 41: 2786-805 (1998) Article DOI: 10.1021/jm980071x BindingDB Entry DOI: 10.7270/Q2F76BPF
					More data for this Ligand-Target Pair
Genome polyprotein (Human rhinovirus B)	BDBM50065586 (((S)-3-Methyl-1-{(S)-1-[(S)-2-oxo-1-(propionylamin...) Show SMILES CCC(=O)NC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C=O Show InChI InChI=1S/C29H38N4O6/c1-4-26(35)30-17-23(18-34)31-27(36)25(16-21-11-7-5-8-12-21)32-28(37)24(15-20(2)3)33-29(38)39-19-22-13-9-6-10-14-22/h5-14,18,20,23-25H,4,15-17,19H2,1-3H3,(H,30,35)(H,31,36)(H,32,37)(H,33,38)/t23-,24-,25-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Agouron Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity against HRV-14 3C protease.				J Med Chem 41: 2786-805 (1998) Article DOI: 10.1021/jm980071x BindingDB Entry DOI: 10.7270/Q2F76BPF
					More data for this Ligand-Target Pair
Neuromedin-B receptor (Homo sapiens (Human))	BDBM50275902 (CHEMBL525577 | D-Phe-Gln-Trp-Ala-Val-b-Ala-His-Phe...) Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](C)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](N)Cc1ccccc1)C(C)C)C(N)=O |r| Show InChI InChI=1S/C57H76N14O10/c1-6-7-21-42(49(60)73)66-55(79)44(26-36-18-12-9-13-19-36)69-56(80)46(28-38-30-61-31-63-38)68-50(74)33(4)65-57(81)48(32(2)3)71-51(75)34(5)64-54(78)45(27-37-29-62-41-22-15-14-20-39(37)41)70-53(77)43(23-24-47(59)72)67-52(76)40(58)25-35-16-10-8-11-17-35/h8-20,22,29-34,40,42-46,48,62H,6-7,21,23-28,58H2,1-5H3,(H2,59,72)(H2,60,73)(H,61,63)(H,64,78)(H,65,81)(H,66,79)(H,67,76)(H,68,74)(H,69,80)(H,70,77)(H,71,75)/t33-,34+,40-,42+,43+,44+,45+,46+,48+/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Binding affinity to neuromedin B receptor (unknown origin)				Bioorg Med Chem Lett 18: 5451-5 (2008) Article DOI: 10.1016/j.bmcl.2008.09.033 BindingDB Entry DOI: 10.7270/Q2H9952R
					More data for this Ligand-Target Pair
Genome polyprotein (Human rhinovirus B)	BDBM50065595 (((S)-1-{(S)-1-[(S)-2-(3,3-Dimethyl-ureido)-1-formy...) Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CNC(=O)N(C)C)C=O Show InChI InChI=1S/C29H39N5O6/c1-20(2)15-24(33-29(39)40-19-22-13-9-6-10-14-22)27(37)32-25(16-21-11-7-5-8-12-21)26(36)31-23(18-35)17-30-28(38)34(3)4/h5-14,18,20,23-25H,15-17,19H2,1-4H3,(H,30,38)(H,31,36)(H,32,37)(H,33,39)/t23-,24-,25-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Agouron Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity against HRV-14 3C protease.				J Med Chem 41: 2786-805 (1998) Article DOI: 10.1021/jm980071x BindingDB Entry DOI: 10.7270/Q2F76BPF
					More data for this Ligand-Target Pair
Genome polyprotein (Human rhinovirus B)	BDBM50065599 (CHEMBL94652 | {(S)-1-[(S)-1-((S)-2-Benzoylamino-1-...) Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CNC(=O)c1ccccc1)C=O Show InChI InChI=1S/C33H38N4O6/c1-23(2)18-28(37-33(42)43-22-25-14-8-4-9-15-25)32(41)36-29(19-24-12-6-3-7-13-24)31(40)35-27(21-38)20-34-30(39)26-16-10-5-11-17-26/h3-17,21,23,27-29H,18-20,22H2,1-2H3,(H,34,39)(H,35,40)(H,36,41)(H,37,42)/t27-,28-,29-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Agouron Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity against HRV-14 3C protease.				J Med Chem 41: 2786-805 (1998) Article DOI: 10.1021/jm980071x BindingDB Entry DOI: 10.7270/Q2F76BPF
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50071564 (2,2-Diallyl-7-methyl-1,3-dioxo-2,3,5,8-tetrahydro-...) Show SMILES CC1=CC(N2N(C1)C(=O)C(CC=C)(CC=C)C2=O)C(=O)NC(CCCCN)C(=O)C(=O)NCCc1ccc(cc1)C(N)=O |t:1| Show InChI InChI=1S/C31H40N6O6/c1-4-14-31(15-5-2)29(42)36-19-20(3)18-24(37(36)30(31)43)27(40)35-23(8-6-7-16-32)25(38)28(41)34-17-13-21-9-11-22(12-10-21)26(33)39/h4-5,9-12,18,23-24H,1-2,6-8,13-17,19,32H2,3H3,(H2,33,39)(H,34,41)(H,35,40)	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
Molecumetics Ltd. Curated by ChEMBL					Assay Description Compound was evaluated for its binding affinity to the thrombin				Bioorg Med Chem Lett 8: 2321-6 (1999) BindingDB Entry DOI: 10.7270/Q29C6WKV
					More data for this Ligand-Target Pair
Genome polyprotein (Human rhinovirus B)	BDBM50065601 (CHEMBL95031 | {(S)-1-[(S)-1-((S)-1-Formyl-2-isobut...) Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CNC(=O)C(C)C)C=O Show InChI InChI=1S/C30H40N4O6/c1-20(2)15-25(34-30(39)40-19-23-13-9-6-10-14-23)29(38)33-26(16-22-11-7-5-8-12-22)28(37)32-24(18-35)17-31-27(36)21(3)4/h5-14,18,20-21,24-26H,15-17,19H2,1-4H3,(H,31,36)(H,32,37)(H,33,38)(H,34,39)/t24-,25-,26-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Agouron Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity against HRV-14 3C protease.				J Med Chem 41: 2786-805 (1998) Article DOI: 10.1021/jm980071x BindingDB Entry DOI: 10.7270/Q2F76BPF
					More data for this Ligand-Target Pair
Kallikrein-1 (Homo sapiens (Human))	BDBM50071572 (8-{5-Amino-1-[2-(4-carbamoyl-phenyl)-ethylaminooxa...) Show SMILES COC(=O)C1C(CCc2ccccc2)=CC(C(=O)NC(CCCCN)C(=O)C(=O)NCCc2ccc(cc2)C(N)=O)n2n1c(=O)n(Cc1cc(F)ccc1F)c2=O |c:14| Show InChI InChI=1S/C40H43F2N7O8/c1-57-38(54)33-27(15-12-24-7-3-2-4-8-24)22-32(48-39(55)47(40(56)49(33)48)23-28-21-29(41)16-17-30(28)42)36(52)46-31(9-5-6-19-43)34(50)37(53)45-20-18-25-10-13-26(14-11-25)35(44)51/h2-4,7-8,10-11,13-14,16-17,21-22,31-33H,5-6,9,12,15,18-20,23,43H2,1H3,(H2,44,51)(H,45,53)(H,46,52)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Molecumetics Ltd. Curated by ChEMBL					Assay Description Compound was evaluated for its inhibitory activity against Kallikrein				Bioorg Med Chem Lett 8: 2321-6 (1999) BindingDB Entry DOI: 10.7270/Q29C6WKV
					More data for this Ligand-Target Pair
Kallikrein-1 (Homo sapiens (Human))	BDBM50071563 (4-(2-{6-amino-2-[7-(3,4-dichlorobenzyl)-13,13-dime...) Show SMILES CC1(C)C2CC1C1=CC(C(=O)NC(CCCCN)C(=O)C(=O)NCCc3ccc(cc3)C(N)=O)n3n(C1C2)c(=O)n(Cc1ccc(Cl)c(Cl)c1)c3=O |t:7| Show InChI InChI=1S/C37H43Cl2N7O6/c1-37(2)23-16-25(37)24-18-30(46-36(52)44(35(51)45(46)29(24)17-23)19-21-8-11-26(38)27(39)15-21)33(49)43-28(5-3-4-13-40)31(47)34(50)42-14-12-20-6-9-22(10-7-20)32(41)48/h6-11,15,18,23,25,28-30H,3-5,12-14,16-17,19,40H2,1-2H3,(H2,41,48)(H,42,50)(H,43,49)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Molecumetics Ltd. Curated by ChEMBL					Assay Description Compound was evaluated for its inhibitory activity against Kallikrein				Bioorg Med Chem Lett 8: 2321-6 (1999) BindingDB Entry DOI: 10.7270/Q29C6WKV
					More data for this Ligand-Target Pair
Genome polyprotein (Human rhinovirus B)	BDBM50065590 (((S)-1-{(S)-1-[(S)-1-(Acetylamino-methyl)-2-oxo-et...) Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CNC(C)=O)C=O Show InChI InChI=1S/C28H36N4O6/c1-19(2)14-24(32-28(37)38-18-22-12-8-5-9-13-22)27(36)31-25(15-21-10-6-4-7-11-21)26(35)30-23(17-33)16-29-20(3)34/h4-13,17,19,23-25H,14-16,18H2,1-3H3,(H,29,34)(H,30,35)(H,31,36)(H,32,37)/t23-,24-,25-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Agouron Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity of the compound was measured against HRV-16 3C protease				J Med Chem 41: 2786-805 (1998) Article DOI: 10.1021/jm980071x BindingDB Entry DOI: 10.7270/Q2F76BPF
					More data for this Ligand-Target Pair
Genome polyprotein (Human rhinovirus B)	BDBM50065591 (((S)-1-{(S)-1-[(S)-1-Formyl-3-(trityl-carbamoyl)-p...) Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)C=O Show InChI InChI=1S/C47H50N4O6/c1-34(2)30-41(50-46(56)57-33-36-20-10-4-11-21-36)45(55)49-42(31-35-18-8-3-9-19-35)44(54)48-40(32-52)28-29-43(53)51-47(37-22-12-5-13-23-37,38-24-14-6-15-25-38)39-26-16-7-17-27-39/h3-27,32,34,40-42H,28-31,33H2,1-2H3,(H,48,54)(H,49,55)(H,50,56)(H,51,53)/t40-,41-,42-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Agouron Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity against HRV-14 3C protease.				J Med Chem 41: 2786-805 (1998) Article DOI: 10.1021/jm980071x BindingDB Entry DOI: 10.7270/Q2F76BPF
					More data for this Ligand-Target Pair
Genome polyprotein (Human rhinovirus B)	BDBM50065596 (((S)-1-{(S)-1-[(S)-1-Formyl-2-(2-oxo-pyrrolidin-1-...) Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CN1CCCC1=O)C=O Show InChI InChI=1S/C30H38N4O6/c1-21(2)16-25(33-30(39)40-20-23-12-7-4-8-13-23)29(38)32-26(17-22-10-5-3-6-11-22)28(37)31-24(19-35)18-34-15-9-14-27(34)36/h3-8,10-13,19,21,24-26H,9,14-18,20H2,1-2H3,(H,31,37)(H,32,38)(H,33,39)/t24-,25-,26-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	52	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Agouron Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity against HRV-14 3C protease.				J Med Chem 41: 2786-805 (1998) Article DOI: 10.1021/jm980071x BindingDB Entry DOI: 10.7270/Q2F76BPF
					More data for this Ligand-Target Pair
Genome polyprotein (Human rhinovirus B)	BDBM50065594 (((S)-1-{(S)-1-[(S)-1-(tert-Butoxycarbonylamino-met...) Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C=O Show InChI InChI=1S/C31H42N4O7/c1-21(2)16-25(35-30(40)41-20-23-14-10-7-11-15-23)28(38)34-26(17-22-12-8-6-9-13-22)27(37)33-24(19-36)18-32-29(39)42-31(3,4)5/h6-15,19,21,24-26H,16-18,20H2,1-5H3,(H,32,39)(H,33,37)(H,34,38)(H,35,40)/t24-,25-,26-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	66	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Agouron Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity against HRV-14 3C protease.				J Med Chem 41: 2786-805 (1998) Article DOI: 10.1021/jm980071x BindingDB Entry DOI: 10.7270/Q2F76BPF
					More data for this Ligand-Target Pair
Genome polyprotein (Human rhinovirus B)	BDBM50065590 (((S)-1-{(S)-1-[(S)-1-(Acetylamino-methyl)-2-oxo-et...) Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CNC(C)=O)C=O Show InChI InChI=1S/C28H36N4O6/c1-19(2)14-24(32-28(37)38-18-22-12-8-5-9-13-22)27(36)31-25(15-21-10-6-4-7-11-21)26(35)30-23(17-33)16-29-20(3)34/h4-13,17,19,23-25H,14-16,18H2,1-3H3,(H,29,34)(H,30,35)(H,31,36)(H,32,37)/t23-,24-,25-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	69	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Agouron Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity of the compound was measured against HRV-2 3C protease				J Med Chem 41: 2786-805 (1998) Article DOI: 10.1021/jm980071x BindingDB Entry DOI: 10.7270/Q2F76BPF
					More data for this Ligand-Target Pair
Genome polyprotein (Human rhinovirus B)	BDBM50065589 (CHEMBL95120 | {(S)-1-[(S)-1-((S)-1-Formylaminometh...) Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CNC=O)C=O Show InChI InChI=1S/C27H34N4O6/c1-19(2)13-23(31-27(36)37-17-21-11-7-4-8-12-21)26(35)30-24(14-20-9-5-3-6-10-20)25(34)29-22(16-32)15-28-18-33/h3-12,16,18-19,22-24H,13-15,17H2,1-2H3,(H,28,33)(H,29,34)(H,30,35)(H,31,36)/t22-,23-,24-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	73	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Agouron Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity against HRV-14 3C protease.				J Med Chem 41: 2786-805 (1998) Article DOI: 10.1021/jm980071x BindingDB Entry DOI: 10.7270/Q2F76BPF
					More data for this Ligand-Target Pair
Genome polyprotein (Human rhinovirus B)	BDBM50065597 (((S)-1-{(S)-1-[(S)-1-(Methoxycarbonylamino-methyl)...) Show SMILES COC(=O)NC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C=O Show InChI InChI=1S/C28H36N4O7/c1-19(2)14-23(32-28(37)39-18-21-12-8-5-9-13-21)26(35)31-24(15-20-10-6-4-7-11-20)25(34)30-22(17-33)16-29-27(36)38-3/h4-13,17,19,22-24H,14-16,18H2,1-3H3,(H,29,36)(H,30,34)(H,31,35)(H,32,37)/t22-,23-,24-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	132	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Agouron Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity against HRV-14 3C protease.				J Med Chem 41: 2786-805 (1998) Article DOI: 10.1021/jm980071x BindingDB Entry DOI: 10.7270/Q2F76BPF
					More data for this Ligand-Target Pair
Genome polyprotein (Human rhinovirus B)	BDBM50065593 (((S)-1-{(S)-1-[(S)-1-Formyl-2-(2,2,2-trifluoro-ace...) Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CNC(=O)C(F)(F)F)C=O Show InChI InChI=1S/C28H33F3N4O6/c1-18(2)13-22(35-27(40)41-17-20-11-7-4-8-12-20)25(38)34-23(14-19-9-5-3-6-10-19)24(37)33-21(16-36)15-32-26(39)28(29,30)31/h3-12,16,18,21-23H,13-15,17H2,1-2H3,(H,32,39)(H,33,37)(H,34,38)(H,35,40)/t21-,22-,23-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	146	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Agouron Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity against HRV-14 3C protease.				J Med Chem 41: 2786-805 (1998) Article DOI: 10.1021/jm980071x BindingDB Entry DOI: 10.7270/Q2F76BPF
					More data for this Ligand-Target Pair
Genome polyprotein (Human rhinovirus B)	BDBM50065590 (((S)-1-{(S)-1-[(S)-1-(Acetylamino-methyl)-2-oxo-et...) Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CNC(C)=O)C=O Show InChI InChI=1S/C28H36N4O6/c1-19(2)14-24(32-28(37)38-18-22-12-8-5-9-13-22)27(36)31-25(15-21-10-6-4-7-11-21)26(35)30-23(17-33)16-29-20(3)34/h4-13,17,19,23-25H,14-16,18H2,1-3H3,(H,29,34)(H,30,35)(H,31,36)(H,32,37)/t23-,24-,25-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Agouron Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity of the compound was measured against HRV-89 3C protease				J Med Chem 41: 2786-805 (1998) Article DOI: 10.1021/jm980071x BindingDB Entry DOI: 10.7270/Q2F76BPF
					More data for this Ligand-Target Pair
Genome polyprotein (Human rhinovirus B)	BDBM50065587 (CHEMBL97090 | {(S)-1-[(S)-1-((S)-3-Cyano-1-formyl-...) Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC#N)C=O Show InChI InChI=1S/C28H34N4O5/c1-20(2)16-24(32-28(36)37-19-22-12-7-4-8-13-22)27(35)31-25(17-21-10-5-3-6-11-21)26(34)30-23(18-33)14-9-15-29/h3-8,10-13,18,20,23-25H,9,14,16-17,19H2,1-2H3,(H,30,34)(H,31,35)(H,32,36)/t23-,24-,25-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Agouron Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity against HRV-14 3C protease.				J Med Chem 41: 2786-805 (1998) Article DOI: 10.1021/jm980071x BindingDB Entry DOI: 10.7270/Q2F76BPF
					More data for this Ligand-Target Pair
Genome polyprotein (Human rhinovirus B)	BDBM50065600 (((S)-1-{(S)-1-[(S)-2-(Acetyl-methyl-amino)-1-formy...) Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CN(C)C(C)=O)C=O Show InChI InChI=1S/C29H38N4O6/c1-20(2)15-25(32-29(38)39-19-23-13-9-6-10-14-23)28(37)31-26(16-22-11-7-5-8-12-22)27(36)30-24(18-34)17-33(4)21(3)35/h5-14,18,20,24-26H,15-17,19H2,1-4H3,(H,30,36)(H,31,37)(H,32,38)/t24-,25-,26-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	469	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Agouron Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity against HRV-14 3C protease.				J Med Chem 41: 2786-805 (1998) Article DOI: 10.1021/jm980071x BindingDB Entry DOI: 10.7270/Q2F76BPF
					More data for this Ligand-Target Pair
Mannan-binding lectin serine protease 2 (Homo sapiens)	BDBM604241 (Preparation of (2R,4S)-2-(((S)-1-((4-carbamimidoyl...) Show SMILES C[C@H](NC(=O)[C@H]1C[C@H](CC[N+]1(C)C)c1ccccc1)C(=O)NCc1ccc(cc1)C(N)=N |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		<500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2P2733R
					More data for this Ligand-Target Pair
Mannan-binding lectin serine protease 2 (Homo sapiens)	BDBM604242 (Preparation of ethyl 3-((2R,4S)-2-(((S)-1-((4-carb...) Show SMILES CCOC(=O)CCN1CC[C@@H](C[C@@H]1C(=O)N[C@@H](C)C(=O)NCc1ccc(cc1)C(N)=N)c1ccccc1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		<500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2P2733R
					More data for this Ligand-Target Pair
Mannan-binding lectin serine protease 2 (Homo sapiens)	BDBM604243 (Preparation of 3-((2R,4S)-2-(((S)-1-((4-carbamimid...) Show SMILES C[C@H](NC(=O)[C@H]1C[C@H](CCN1CCC(O)=O)c1ccccc1)C(=O)NCc1ccc(cc1)C(N)=N |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		<500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2P2733R
					More data for this Ligand-Target Pair
Mannan-binding lectin serine protease 2 (Homo sapiens)	BDBM604244 (US11661418, Compound I-15) Show SMILES C[C@H](NC(=O)[C@H]1C[C@H](CCN1CCP(O)(O)=O)c1ccccc1)C(=O)NCc1cc2cnccc2[nH]1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		<500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2P2733R
					More data for this Ligand-Target Pair
Mannan-binding lectin serine protease 2 (Homo sapiens)	BDBM604245 (US11661418, Compound I-16) Show SMILES CN1CC[C@@H](C[C@@H]1C(=O)N1CC[C@H]1C(=O)NCc1ccc(N)nc1C)c1ccccc1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		<500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2P2733R
					More data for this Ligand-Target Pair
Mannan-binding lectin serine protease 2 (Homo sapiens)	BDBM604246 (Preparation of (S)—N-(4-carbamimidoylbenzyl)-1-((2...) Show SMILES CN1CC[C@@H](C[C@@H]1C(=O)N1CC[C@H]1C(=O)NCc1ccc(cc1)C(N)=N)c1ccccc1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		<500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2P2733R
					More data for this Ligand-Target Pair
Mannan-binding lectin serine protease 2 (Homo sapiens)	BDBM604249 (Preparation of (2R,4S)—N—((S)-1-((4-carbamimidoylb...) Show SMILES CCN1CC[C@@H](C[C@@H]1C(=O)N[C@@H](C)C(=O)NCc1ccc(cc1)C(N)=N)c1ccccc1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		<500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2P2733R
					More data for this Ligand-Target Pair
Mannan-binding lectin serine protease 2 (Homo sapiens)	BDBM604250 (Preparation of (2R,4S)-4-(3-(1H-pyrazol-1-yl)pheny...) Show SMILES CCN1CC[C@@H](C[C@@H]1C(=O)N[C@@H](C)C(=O)NCc1cc(Cl)ccc1-n1cnnn1)c1cccc(c1)-n1cccn1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		<500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2P2733R
					More data for this Ligand-Target Pair
Mannan-binding lectin serine protease 2 (Homo sapiens)	BDBM604251 (Preparation of (2R,4S)—N—((S)-1-(((5-((Z)—N-hydrox...) Show SMILES C[C@H](NC(=O)[C@H]1C[C@H](CCN1)c1ccccc1)C(=O)NCc1ccc(s1)C(\N)=N\O |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		<500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2P2733R
					More data for this Ligand-Target Pair
Mannan-binding lectin serine protease 2 (Homo sapiens)	BDBM595060 (US11584714, Compound 1088) Show SMILES C[C@H](NC(=O)[C@H](N)C1Cc2ccccc2C1)C(=O)NCc1ccc2c(N)nccc2c1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The assay was run at room temperature in an assay buffer containing 20 mM Hepes, pH 7.4, 140 mM NaCl and 0.1% Tween 20. Assay parameters were adjuste...				Citation and Details BindingDB Entry DOI: 10.7270/Q2VH5SRT
					More data for this Ligand-Target Pair
Mannan-binding lectin serine protease 2 (Mouse)	BDBM595060 (US11584714, Compound 1088) Show SMILES C[C@H](NC(=O)[C@H](N)C1Cc2ccccc2C1)C(=O)NCc1ccc2c(N)nccc2c1 |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The assay was run at room temperature in an assay buffer containing 20 mM Hepes, pH 7.4, 140 mM NaCl and 0.1% Tween 20. Assay parameters were adjuste...				Citation and Details BindingDB Entry DOI: 10.7270/Q2VH5SRT
					More data for this Ligand-Target Pair
Mannan-binding lectin serine protease 2 (Homo sapiens)	BDBM595062 (US11584714, Compound 1090) Show SMILES C[C@H](NC(=O)[C@H]1C[C@@H](CN1)c1ccccc1)C(=O)NCc1ccc2c(N)nccc2c1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The assay was run at room temperature in an assay buffer containing 20 mM Hepes, pH 7.4, 140 mM NaCl and 0.1% Tween 20. Assay parameters were adjuste...				Citation and Details BindingDB Entry DOI: 10.7270/Q2VH5SRT
					More data for this Ligand-Target Pair
Mannan-binding lectin serine protease 2 (Mouse)	BDBM595062 (US11584714, Compound 1090) Show SMILES C[C@H](NC(=O)[C@H]1C[C@@H](CN1)c1ccccc1)C(=O)NCc1ccc2c(N)nccc2c1 |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The assay was run at room temperature in an assay buffer containing 20 mM Hepes, pH 7.4, 140 mM NaCl and 0.1% Tween 20. Assay parameters were adjuste...				Citation and Details BindingDB Entry DOI: 10.7270/Q2VH5SRT
					More data for this Ligand-Target Pair
Mannan-binding lectin serine protease 2 (Mouse)	BDBM595063 (US11584714, Compound 1091) Show SMILES C[C@H](NC(=O)[C@H](N)C1Cc2ccccc2C1)C(=O)NCc1ccc2nc(N)ccc2c1 |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The assay was run at room temperature in an assay buffer containing 20 mM Hepes, pH 7.4, 140 mM NaCl and 0.1% Tween 20. Assay parameters were adjuste...				Citation and Details BindingDB Entry DOI: 10.7270/Q2VH5SRT
					More data for this Ligand-Target Pair
Mannan-binding lectin serine protease 2 (Homo sapiens)	BDBM595064 (US11584714, Compound 1092) Show SMILES C[C@H](NC(=O)[C@H](N)Cc1cccc2ccccc12)C(=O)NCc1ccc(cc1)C(N)=N |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The assay was run at room temperature in an assay buffer containing 20 mM Hepes, pH 7.4, 140 mM NaCl and 0.1% Tween 20. Assay parameters were adjuste...				Citation and Details BindingDB Entry DOI: 10.7270/Q2VH5SRT
					More data for this Ligand-Target Pair

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