Compile Data Set for Download or QSAR

Found 2251 hits with Last Name = 'magolda' and Initial = 'r'   

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
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50316677 (6-Methoxy-8-{4-[1-(8-quinolinyl)-4-piperidinyl]-1-...) Show SMILES COc1cc(N2CCN(CC2)C2CCN(CC2)c2cccc3cccnc23)c2ncccc2c1 Show InChI InChI=1S/C28H31N5O/c1-34-24-19-22-7-4-12-30-28(22)26(20-24)33-17-15-31(16-18-33)23-9-13-32(14-10-23)25-8-2-5-21-6-3-11-29-27(21)25/h2-8,11-12,19-20,23H,9-10,13-18H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells				J Med Chem 53: 4066-84 (2010) Article DOI: 10.1021/jm1000908 BindingDB Entry DOI: 10.7270/Q28P60P7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50316673 (5-Fluoro-8-{4-[4-(6-methoxyquinolin-8-yl)piperazin...) Show SMILES COc1cc(N2CCN(CC2)C2CCN(CC2)c2ccc(F)c3cccnc23)c2ncccc2c1 Show InChI InChI=1S/C28H30FN5O/c1-35-22-18-20-4-2-10-30-27(20)26(19-22)34-16-14-32(15-17-34)21-8-12-33(13-9-21)25-7-6-24(29)23-5-3-11-31-28(23)25/h2-7,10-11,18-19,21H,8-9,12-17H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells				J Med Chem 53: 4066-84 (2010) Article DOI: 10.1021/jm1000908 BindingDB Entry DOI: 10.7270/Q28P60P7
					More data for this Ligand-Target Pair
Neutrophil collagenase (Homo sapiens (Human))	BDBM50104967 (CHEMBL419751 | N*4*-Hydroxy-2-(4-hydroxy-benzyl)-N...) Show SMILES CNC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)[C@@H](CC(=O)NO)Cc1ccc(O)cc1 Show InChI InChI=1S/C22H27N3O6/c1-23-22(29)19(12-15-5-9-18(31-2)10-6-15)24-21(28)16(13-20(27)25-30)11-14-3-7-17(26)8-4-14/h3-10,16,19,26,30H,11-13H2,1-2H3,(H,23,29)(H,24,28)(H,25,27)/t16-,19+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.450	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description Inhibition of matrix metalloprotease-8				J Med Chem 44: 3347-50 (2001) BindingDB Entry DOI: 10.7270/Q2057F7H
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50102594 (7-Isobutyl-8-oxo-2-oxa-9-aza-bicyclo[10.2.2]hexade...) Show SMILES CNC(=O)CNC(=O)[C@@H]1Cc2ccc(OCCC[C@@H]([C@@H](CC(C)C)C(=O)N1)C(=O)NO)cc2 Show InChI InChI=1S/C23H34N4O6/c1-14(2)11-18-17(22(30)27-32)5-4-10-33-16-8-6-15(7-9-16)12-19(26-21(18)29)23(31)25-13-20(28)24-3/h6-9,14,17-19,32H,4-5,10-13H2,1-3H3,(H,24,28)(H,25,31)(H,26,29)(H,27,30)/t17-,18+,19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.450	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description Inhibition of matrix metalloprotease-13				J Med Chem 44: 2636-60 (2001) BindingDB Entry DOI: 10.7270/Q2FB53NR
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50316680 (8-{4-[4-(6-Methoxyquinolin-8-yl)piperazin-1-yl]pip...) Show SMILES COc1cc(N2CCN(CC2)C2CCN(CC2)c2cccc3cc(C)cnc23)c2ncccc2c1 Show InChI InChI=1S/C29H33N5O/c1-21-17-22-5-3-7-26(28(22)31-20-21)33-11-8-24(9-12-33)32-13-15-34(16-14-32)27-19-25(35-2)18-23-6-4-10-30-29(23)27/h3-7,10,17-20,24H,8-9,11-16H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.460	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells				J Med Chem 53: 4066-84 (2010) Article DOI: 10.1021/jm1000908 BindingDB Entry DOI: 10.7270/Q28P60P7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50316684 (3,5-Difluoro-8-{4-[4-(6-methoxyquinolin-8-yl)piper...) Show SMILES COc1cc(N2CCN(CC2)C2CCN(CC2)c2ccc(F)c3cc(F)cnc23)c2ncccc2c1 Show InChI InChI=1S/C28H29F2N5O/c1-36-22-15-19-3-2-8-31-27(19)26(17-22)35-13-11-33(12-14-35)21-6-9-34(10-7-21)25-5-4-24(30)23-16-20(29)18-32-28(23)25/h2-5,8,15-18,21H,6-7,9-14H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.470	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells				J Med Chem 53: 4066-84 (2010) Article DOI: 10.1021/jm1000908 BindingDB Entry DOI: 10.7270/Q28P60P7
					More data for this Ligand-Target Pair
Neutrophil collagenase (Homo sapiens (Human))	BDBM50102594 (7-Isobutyl-8-oxo-2-oxa-9-aza-bicyclo[10.2.2]hexade...) Show SMILES CNC(=O)CNC(=O)[C@@H]1Cc2ccc(OCCC[C@@H]([C@@H](CC(C)C)C(=O)N1)C(=O)NO)cc2 Show InChI InChI=1S/C23H34N4O6/c1-14(2)11-18-17(22(30)27-32)5-4-10-33-16-8-6-15(7-9-16)12-19(26-21(18)29)23(31)25-13-20(28)24-3/h6-9,14,17-19,32H,4-5,10-13H2,1-3H3,(H,24,28)(H,25,31)(H,26,29)(H,27,30)/t17-,18+,19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description Inhibition of matrix metalloprotease-8				J Med Chem 44: 2636-60 (2001) BindingDB Entry DOI: 10.7270/Q2FB53NR
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50316688 (8-{4-[4-(6-Methoxyquinolin-8-yl)piperazin-1-yl]pip...) Show SMILES COc1cc(N2CCN(CC2)C2CCN(CC2)c2cccc3ccc(C)nc23)c2ncccc2c1 Show InChI InChI=1S/C29H33N5O/c1-21-8-9-22-5-3-7-26(29(22)31-21)33-13-10-24(11-14-33)32-15-17-34(18-16-32)27-20-25(35-2)19-23-6-4-12-30-28(23)27/h3-9,12,19-20,24H,10-11,13-18H2,1-2H3	PDB UniProtKB/SwissProt 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
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells				J Med Chem 53: 4066-84 (2010) Article DOI: 10.1021/jm1000908 BindingDB Entry DOI: 10.7270/Q28P60P7
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Sus scrofa (pig))	BDBM26526 ((2R)-N-hydroxy-2-[(3S)-3-methyl-3-{4-[(2-methylqui...) Show SMILES C[C@@H](N1CC[C@](C)(C1=O)c1ccc(OCc2cc(C)nc3ccccc23)cc1)C(=O)NO |r| Show InChI InChI=1S/C25H27N3O4/c1-16-14-18(21-6-4-5-7-22(21)26-16)15-32-20-10-8-19(9-11-20)25(3)12-13-28(24(25)30)17(2)23(29)27-31/h4-11,14,17,31H,12-13,15H2,1-3H3,(H,27,29)/t17-,25+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB PubMed	0.560	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Affinity for Tumor necrosis factor alpha converting enzyme (TACE)				J Med Chem 45: 4954-7 (2002) BindingDB Entry DOI: 10.7270/Q2XP7497
					More data for this Ligand-Target Pair				3D Structure (crystal)
Interstitial collagenase (Homo sapiens (Human))	BDBM50069218 ((2R,3R)-2,N*1*-Dihydroxy-3-isobutyl-N*4*-[(S)-2-(4...) Show SMILES CNC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)[C@H](CC(C)C)[C@@](C)(O)C(=O)NO Show InChI InChI=1S/C20H31N3O6/c1-12(2)10-15(20(3,27)19(26)23-28)17(24)22-16(18(25)21-4)11-13-6-8-14(29-5)9-7-13/h6-9,12,15-16,27-28H,10-11H2,1-5H3,(H,21,25)(H,22,24)(H,23,26)/t15-,16-,20+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description Binding affinity was evaluated against matrix metalloproteinase-1				Bioorg Med Chem Lett 8: 837-42 (1999) BindingDB Entry DOI: 10.7270/Q29022WN
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50316690 (8-{4-[4-(6-Methoxyquinolin-8-yl)piperazin-1-yl]pip...) Show SMILES COc1cc(N2CCN(CC2)C2CCN(CC2)c2cccc3c(C)ccnc23)c2ncccc2c1 Show InChI InChI=1S/C29H33N5O/c1-21-8-12-31-29-25(21)6-3-7-26(29)33-13-9-23(10-14-33)32-15-17-34(18-16-32)27-20-24(35-2)19-22-5-4-11-30-28(22)27/h3-8,11-12,19-20,23H,9-10,13-18H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.610	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells				J Med Chem 53: 4066-84 (2010) Article DOI: 10.1021/jm1000908 BindingDB Entry DOI: 10.7270/Q28P60P7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50316682 (6-Bromo-8-{4-[4-(6-methoxyquinolin-8-yl)piperazin-...) Show SMILES COc1cc(N2CCN(CC2)C2CCN(CC2)c2cc(Br)cc3cccnc23)c2ncccc2c1 Show InChI InChI=1S/C28H30BrN5O/c1-35-24-17-21-5-3-9-31-28(21)26(19-24)34-14-12-32(13-15-34)23-6-10-33(11-7-23)25-18-22(29)16-20-4-2-8-30-27(20)25/h2-5,8-9,16-19,23H,6-7,10-15H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.610	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells				J Med Chem 53: 4066-84 (2010) Article DOI: 10.1021/jm1000908 BindingDB Entry DOI: 10.7270/Q28P60P7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50316678 (8-{4-[4-(6-Methoxyquinolin-8-yl)piperazin-1-yl]pip...) Show SMILES COc1cc(N2CCN(CC2)C2CCN(CC2)c2cccc3c(C)cc(C)nc23)c2ncccc2c1 Show InChI InChI=1S/C30H35N5O/c1-21-18-22(2)32-30-26(21)7-4-8-27(30)34-12-9-24(10-13-34)33-14-16-35(17-15-33)28-20-25(36-3)19-23-6-5-11-31-29(23)28/h4-8,11,18-20,24H,9-10,12-17H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.630	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells				J Med Chem 53: 4066-84 (2010) Article DOI: 10.1021/jm1000908 BindingDB Entry DOI: 10.7270/Q28P60P7
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50104981 (11-(2',6'-Difluoro-biphenyl-4-ylmethyl)-2,10-dioxo...) Show SMILES ONC(=O)[C@H]1CCCOC(=O)NCCCC[C@H](NC(=O)[C@@H]1Cc1ccc(cc1)-c1c(F)cccc1F)C(=O)NCC(=O)N1CCOCC1 Show InChI InChI=1S/C33H41F2N5O8/c34-25-6-3-7-26(35)29(25)22-11-9-21(10-12-22)19-24-23(31(43)39-46)5-4-16-48-33(45)36-13-2-1-8-27(38-30(24)42)32(44)37-20-28(41)40-14-17-47-18-15-40/h3,6-7,9-12,23-24,27,46H,1-2,4-5,8,13-20H2,(H,36,45)(H,37,44)(H,38,42)(H,39,43)/t23-,24+,27-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.640	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description Inhibition of matrix metalloprotease-2				J Med Chem 44: 3351-4 (2001) BindingDB Entry DOI: 10.7270/Q2VD6XRT
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50217922 (3-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfon...) Show SMILES CCN1CCCC(C1)n1cc(c2cccnc12)S(=O)(=O)C1N2C=CSC2N=C1Cl |c:25,30| Show InChI InChI=1S/C19H22ClN5O2S2/c1-2-23-8-4-5-13(11-23)25-12-15(14-6-3-7-21-17(14)25)29(26,27)18-16(20)22-19-24(18)9-10-28-19/h3,6-7,9-10,12-13,18-19H,2,4-5,8,11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H]LSD from cloned human 5HT6 expressed in HeLa cells				Bioorg Med Chem 15: 6208-26 (2007) Article DOI: 10.1016/j.bmc.2007.06.024 BindingDB Entry DOI: 10.7270/Q2HT2P2G
					More data for this Ligand-Target Pair
Neutrophil collagenase (Homo sapiens (Human))	BDBM50104969 ((R)-N*4*-Hydroxy-2-isobutyl-N*1*-[(S)-2-(4-methoxy...) Show SMILES CNC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)[C@H](CC(C)C)CC(=O)NO Show InChI InChI=1S/C19H29N3O5/c1-12(2)9-14(11-17(23)22-26)18(24)21-16(19(25)20-3)10-13-5-7-15(27-4)8-6-13/h5-8,12,14,16,26H,9-11H2,1-4H3,(H,20,25)(H,21,24)(H,22,23)/t14-,16+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description Inhibition of matrix metalloprotease-8				J Med Chem 44: 3347-50 (2001) BindingDB Entry DOI: 10.7270/Q2057F7H
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50217902 (3-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfon...) Show SMILES ClC1=NC2SC=CN2C1S(=O)(=O)c1cn(C2CCCNC2)c2ncccc12 |c:5,t:1| Show InChI InChI=1S/C17H18ClN5O2S2/c18-14-16(22-7-8-26-17(22)21-14)27(24,25)13-10-23(11-3-1-5-19-9-11)15-12(13)4-2-6-20-15/h2,4,6-8,10-11,16-17,19H,1,3,5,9H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H]LSD from cloned human 5HT6 expressed in HeLa cells				Bioorg Med Chem 15: 6208-26 (2007) Article DOI: 10.1016/j.bmc.2007.06.024 BindingDB Entry DOI: 10.7270/Q2HT2P2G
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50316679 (3-Fluoro-8-{4-[4-(6-methoxyquinolin-8-yl)piperazin...) Show SMILES COc1cc(N2CCN(CC2)C2CCN(CC2)c2cccc3cc(F)cnc23)c2ncccc2c1 Show InChI InChI=1S/C28H30FN5O/c1-35-24-17-21-5-3-9-30-28(21)26(18-24)34-14-12-32(13-15-34)23-7-10-33(11-8-23)25-6-2-4-20-16-22(29)19-31-27(20)25/h2-6,9,16-19,23H,7-8,10-15H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.790	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells				J Med Chem 53: 4066-84 (2010) Article DOI: 10.1021/jm1000908 BindingDB Entry DOI: 10.7270/Q28P60P7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50217909 (3-(6-chloro-imidazo[2,1-b]thiazole-5-sulfonyl)-1-(...) Show SMILES CN1CCC(C1)n1cc(c2cccnc12)S(=O)(=O)C1N2C=CSC2N=C1Cl |c:23,28| Show InChI InChI=1S/C17H18ClN5O2S2/c1-21-6-4-11(9-21)23-10-13(12-3-2-5-19-15(12)23)27(24,25)16-14(18)20-17-22(16)7-8-26-17/h2-3,5,7-8,10-11,16-17H,4,6,9H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H]LSD from cloned human 5HT6 expressed in HeLa cells				Bioorg Med Chem 15: 6208-26 (2007) Article DOI: 10.1016/j.bmc.2007.06.024 BindingDB Entry DOI: 10.7270/Q2HT2P2G
					More data for this Ligand-Target Pair
Matrilysin (Homo sapiens (Human))	BDBM50102594 (7-Isobutyl-8-oxo-2-oxa-9-aza-bicyclo[10.2.2]hexade...) Show SMILES CNC(=O)CNC(=O)[C@@H]1Cc2ccc(OCCC[C@@H]([C@@H](CC(C)C)C(=O)N1)C(=O)NO)cc2 Show InChI InChI=1S/C23H34N4O6/c1-14(2)11-18-17(22(30)27-32)5-4-10-33-16-8-6-15(7-9-16)12-19(26-21(18)29)23(31)25-13-20(28)24-3/h6-9,14,17-19,32H,4-5,10-13H2,1-3H3,(H,24,28)(H,25,31)(H,26,29)(H,27,30)/t17-,18+,19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description Inhibition of matrix metalloprotease-7				J Med Chem 44: 2636-60 (2001) BindingDB Entry DOI: 10.7270/Q2FB53NR
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50316683 (5-Fluoro-8-{4-[4-(6-methoxyquinolin-8-yl)piperazin...) Show SMILES COc1cc(N2CCN(CC2)C2CCN(CC2)c2ccc(F)c3cc(cnc23)C(F)(F)F)c2ncccc2c1 Show InChI InChI=1S/C29H29F4N5O/c1-39-22-15-19-3-2-8-34-27(19)26(17-22)38-13-11-36(12-14-38)21-6-9-37(10-7-21)25-5-4-24(30)23-16-20(29(31,32)33)18-35-28(23)25/h2-5,8,15-18,21H,6-7,9-14H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.870	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells				J Med Chem 53: 4066-84 (2010) Article DOI: 10.1021/jm1000908 BindingDB Entry DOI: 10.7270/Q28P60P7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM86708 (CAS_146714-97-8 | CHEMBL31354 | CHEMBL514874 | CHE...) Show SMILES COc1ccccc1N1CCN(CCN(C(=O)C2CCCCC2)c2ccccn2)CC1 Show InChI InChI=1S/C25H34N4O2/c1-31-23-12-6-5-11-22(23)28-18-15-27(16-19-28)17-20-29(24-13-7-8-14-26-24)25(30)21-9-3-2-4-10-21/h5-8,11-14,21H,2-4,9-10,15-20H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells				J Med Chem 53: 4066-84 (2010) Article DOI: 10.1021/jm1000908 BindingDB Entry DOI: 10.7270/Q28P60P7
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50102594 (7-Isobutyl-8-oxo-2-oxa-9-aza-bicyclo[10.2.2]hexade...) Show SMILES CNC(=O)CNC(=O)[C@@H]1Cc2ccc(OCCC[C@@H]([C@@H](CC(C)C)C(=O)N1)C(=O)NO)cc2 Show InChI InChI=1S/C23H34N4O6/c1-14(2)11-18-17(22(30)27-32)5-4-10-33-16-8-6-15(7-9-16)12-19(26-21(18)29)23(31)25-13-20(28)24-3/h6-9,14,17-19,32H,4-5,10-13H2,1-3H3,(H,24,28)(H,25,31)(H,26,29)(H,27,30)/t17-,18+,19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description In vitro inhibition of human MMP-9.				J Med Chem 44: 2636-60 (2001) BindingDB Entry DOI: 10.7270/Q2FB53NR
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50217891 (3-(3-bromo-benzenesulfonyl)-1-(1-methyl-pyrrolidin...) Show SMILES CN1CCC(C1)n1cc(c2cccnc12)S(=O)(=O)c1cccc(Br)c1 |w:4.6| Show InChI InChI=1S/C18H18BrN3O2S/c1-21-9-7-14(11-21)22-12-17(16-6-3-8-20-18(16)22)25(23,24)15-5-2-4-13(19)10-15/h2-6,8,10,12,14H,7,9,11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H]LSD from cloned human 5HT6 expressed in HeLa cells				Bioorg Med Chem 15: 6208-26 (2007) Article DOI: 10.1016/j.bmc.2007.06.024 BindingDB Entry DOI: 10.7270/Q2HT2P2G
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50069224 ((2R,3R)-2,N*1*-Dihydroxy-N*4*-{(S)-1-[((R)-hydroxy...) Show SMILES C[C@@](O)([C@@H](CCCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](O)c1ccccc1)C(=O)NO Show InChI InChI=1S/C30H35N3O6/c1-30(38,29(37)33-39)24(19-11-16-21-12-5-2-6-13-21)27(35)31-25(20-22-14-7-3-8-15-22)28(36)32-26(34)23-17-9-4-10-18-23/h2-10,12-15,17-18,24-26,34,38-39H,11,16,19-20H2,1H3,(H,31,35)(H,32,36)(H,33,37)/t24-,25-,26+,30+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description Binding affinity was evaluated against matrix metalloproteinase-9				Bioorg Med Chem Lett 8: 837-42 (1999) BindingDB Entry DOI: 10.7270/Q29022WN
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50076995 ((6S,9R,10S)-10-Hydroxycarbamoyl-9-isobutyl-6-methy...) Show SMILES CNC(=O)[C@@H]1CCCCN(CCC[C@@H]([C@@H](CC(C)C)C(=O)N1)C(=O)NO)C(=O)OC(C)(C)C Show InChI InChI=1S/C23H42N4O6/c1-15(2)14-17-16(20(29)26-32)10-9-13-27(22(31)33-23(3,4)5)12-8-7-11-18(21(30)24-6)25-19(17)28/h15-18,32H,7-14H2,1-6H3,(H,24,30)(H,25,28)(H,26,29)/t16-,17+,18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	<1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description In vitro inhibition of human MMP-1.				J Med Chem 44: 2636-60 (2001) BindingDB Entry DOI: 10.7270/Q2FB53NR
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50104969 ((R)-N*4*-Hydroxy-2-isobutyl-N*1*-[(S)-2-(4-methoxy...) Show SMILES CNC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)[C@H](CC(C)C)CC(=O)NO Show InChI InChI=1S/C19H29N3O5/c1-12(2)9-14(11-17(23)22-26)18(24)21-16(19(25)20-3)10-13-5-7-15(27-4)8-6-13/h5-8,12,14,16,26H,9-11H2,1-4H3,(H,20,25)(H,21,24)(H,22,23)/t14-,16+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	PubMed	<1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description Inhibition of matrix metalloprotease-2				J Med Chem 44: 3347-50 (2001) BindingDB Entry DOI: 10.7270/Q2057F7H
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50102610 (10-Isobutyl-6,11-dioxo-6,7,9,10,11,12,13,14-octahy...) Show SMILES CNC(=O)[C@@H]1CSc2ccccc2NC(=O)CO[C@@H]([C@@H](CC(C)C)C(=O)N1)C(=O)NO Show InChI InChI=1S/C20H28N4O6S/c1-11(2)8-12-17(20(28)24-29)30-9-16(25)22-13-6-4-5-7-15(13)31-10-14(19(27)21-3)23-18(12)26/h4-7,11-12,14,17,29H,8-10H2,1-3H3,(H,21,27)(H,22,25)(H,23,26)(H,24,28)/t12-,14+,17+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	<1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description In vitro inhibition of human MMP-1.				J Med Chem 44: 2636-60 (2001) BindingDB Entry DOI: 10.7270/Q2FB53NR
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50104969 ((R)-N*4*-Hydroxy-2-isobutyl-N*1*-[(S)-2-(4-methoxy...) Show SMILES CNC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)[C@H](CC(C)C)CC(=O)NO Show InChI InChI=1S/C19H29N3O5/c1-12(2)9-14(11-17(23)22-26)18(24)21-16(19(25)20-3)10-13-5-7-15(27-4)8-6-13/h5-8,12,14,16,26H,9-11H2,1-4H3,(H,20,25)(H,21,24)(H,22,23)/t14-,16+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB PubMed	<1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description Inhibition of matrix metalloprotease-1				J Med Chem 44: 3347-50 (2001) BindingDB Entry DOI: 10.7270/Q2057F7H
					More data for this Ligand-Target Pair				3D Structure (crystal)
Interstitial collagenase (Homo sapiens (Human))	BDBM50102630 (11-Isobutyl-3-methyl-2,10-dioxo-1-oxa-3,9-diaza-cy...) Show SMILES CNC(=O)[C@@H]1CCCCN(C)C(=O)OCCC[C@@H]([C@@H](CC(C)C)C(=O)N1)C(=O)NO Show InChI InChI=1S/C20H36N4O6/c1-13(2)12-15-14(18(26)23-29)8-7-11-30-20(28)24(4)10-6-5-9-16(19(27)21-3)22-17(15)25/h13-16,29H,5-12H2,1-4H3,(H,21,27)(H,22,25)(H,23,26)/t14-,15+,16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	<1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description In vitro inhibition of human MMP-1.				J Med Chem 44: 2636-60 (2001) BindingDB Entry DOI: 10.7270/Q2FB53NR
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50076993 ((2S,11S,12R)-12-Isobutyl-13-oxo-1,7diaza-cyclotrid...) Show SMILES CNC(=O)[C@@H]1CCCCNCCC[C@@H]([C@@H](CC(C)C)C(=O)N1)C(=O)NO Show InChI InChI=1S/C18H34N4O4/c1-12(2)11-14-13(17(24)22-26)7-6-10-20-9-5-4-8-15(18(25)19-3)21-16(14)23/h12-15,20,26H,4-11H2,1-3H3,(H,19,25)(H,21,23)(H,22,24)/t13-,14+,15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	<1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description In vitro inhibition of human MMP-1.				J Med Chem 44: 2636-60 (2001) BindingDB Entry DOI: 10.7270/Q2FB53NR
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50102631 (8-Isobutyl-9-oxo-6-oxa-1,10-diaza-tricyclo[11.6.1....) Show SMILES CNC(=O)[C@@H]1Cc2cn(CCCCO[C@@H]([C@@H](CC(C)C)C(=O)N1)C(=O)NO)c1ccccc21 Show InChI InChI=1S/C24H34N4O5/c1-15(2)12-18-21(24(31)27-32)33-11-7-6-10-28-14-16(17-8-4-5-9-20(17)28)13-19(23(30)25-3)26-22(18)29/h4-5,8-9,14-15,18-19,21,32H,6-7,10-13H2,1-3H3,(H,25,30)(H,26,29)(H,27,31)/t18-,19+,21+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	<1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description In vitro inhibition of human MMP-1.				J Med Chem 44: 2636-60 (2001) BindingDB Entry DOI: 10.7270/Q2FB53NR
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50076991 ((2S,11S,12R)-7-Benzenesulfonyl-12-isobutyl-13-oxo-...) Show SMILES CNC(=O)[C@@H]1CCCCN(CCC[C@@H]([C@@H](CC(C)C)C(=O)N1)C(=O)NO)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C24H38N4O6S/c1-17(2)16-20-19(23(30)27-32)12-9-15-28(35(33,34)18-10-5-4-6-11-18)14-8-7-13-21(24(31)25-3)26-22(20)29/h4-6,10-11,17,19-21,32H,7-9,12-16H2,1-3H3,(H,25,31)(H,26,29)(H,27,30)/t19-,20+,21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	<1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description In vitro inhibition of human MMP-9.				J Med Chem 44: 2636-60 (2001) BindingDB Entry DOI: 10.7270/Q2FB53NR
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50104969 ((R)-N*4*-Hydroxy-2-isobutyl-N*1*-[(S)-2-(4-methoxy...) Show SMILES CNC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)[C@H](CC(C)C)CC(=O)NO Show InChI InChI=1S/C19H29N3O5/c1-12(2)9-14(11-17(23)22-26)18(24)21-16(19(25)20-3)10-13-5-7-15(27-4)8-6-13/h5-8,12,14,16,26H,9-11H2,1-4H3,(H,20,25)(H,21,24)(H,22,23)/t14-,16+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	PubMed	<1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description Inhibition of human matrix metalloprotease-9				J Med Chem 44: 3347-50 (2001) BindingDB Entry DOI: 10.7270/Q2057F7H
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50064340 ((2R,3S)-N*4*-Hydroxy-2-isobutyl-N*1*-[(R)-2-(4-met...) Show SMILES CNC(=O)[C@@H](Cc1ccc(OC)cc1)NC(=O)[C@H](CC(C)C)[C@H](C)C(=O)NO Show InChI InChI=1S/C20H31N3O5/c1-12(2)10-16(13(3)18(24)23-27)19(25)22-17(20(26)21-4)11-14-6-8-15(28-5)9-7-14/h6-9,12-13,16-17,27H,10-11H2,1-5H3,(H,21,26)(H,22,25)(H,23,24)/t13-,16+,17+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	<1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description In vitro inhibition of human MMP-1.				J Med Chem 44: 2636-60 (2001) BindingDB Entry DOI: 10.7270/Q2FB53NR
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50069214 ((2R,3R)-N*4*-((S)-5-Amino-1-methylcarbamoyl-pentyl...) Show SMILES CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCc1ccccc1)[C@@](C)(O)C(=O)NO Show InChI InChI=1S/C21H34N4O5/c1-21(29,20(28)25-30)16(12-8-11-15-9-4-3-5-10-15)18(26)24-17(19(27)23-2)13-6-7-14-22/h3-5,9-10,16-17,29-30H,6-8,11-14,22H2,1-2H3,(H,23,27)(H,24,26)(H,25,28)/t16-,17-,21+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	<1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description Binding affinity was evaluated against matrix metalloprotease-9				Bioorg Med Chem Lett 8: 837-42 (1999) BindingDB Entry DOI: 10.7270/Q29022WN
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50069218 ((2R,3R)-2,N*1*-Dihydroxy-3-isobutyl-N*4*-[(S)-2-(4...) Show SMILES CNC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)[C@H](CC(C)C)[C@@](C)(O)C(=O)NO Show InChI InChI=1S/C20H31N3O6/c1-12(2)10-15(20(3,27)19(26)23-28)17(24)22-16(18(25)21-4)11-13-6-8-14(29-5)9-7-13/h6-9,12,15-16,27-28H,10-11H2,1-5H3,(H,21,25)(H,22,24)(H,23,26)/t15-,16-,20+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	<1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description Binding affinity was evaluated against matrix metalloprotease-9				Bioorg Med Chem Lett 8: 837-42 (1999) BindingDB Entry DOI: 10.7270/Q29022WN
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50069228 ((2R,3R)-2,N*1*-Dihydroxy-N*4*-[(S)-2-(4-methoxy-ph...) Show SMILES CNC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)[C@H](CCCc1ccccc1)[C@@](C)(O)C(=O)NO Show InChI InChI=1S/C25H33N3O6/c1-25(32,24(31)28-33)20(11-7-10-17-8-5-4-6-9-17)22(29)27-21(23(30)26-2)16-18-12-14-19(34-3)15-13-18/h4-6,8-9,12-15,20-21,32-33H,7,10-11,16H2,1-3H3,(H,26,30)(H,27,29)(H,28,31)/t20-,21-,25+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	<1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description Binding affinity was evaluated against matrix metalloprotease-9				Bioorg Med Chem Lett 8: 837-42 (1999) BindingDB Entry DOI: 10.7270/Q29022WN
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50069221 ((2R,3R)-N*4*-((S)-2,2-Dimethyl-1-methylcarbamoyl-p...) Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](CCCc1ccccc1)[C@@](C)(O)C(=O)NO)C(C)(C)C Show InChI InChI=1S/C21H33N3O5/c1-20(2,3)16(18(26)22-5)23-17(25)15(21(4,28)19(27)24-29)13-9-12-14-10-7-6-8-11-14/h6-8,10-11,15-16,28-29H,9,12-13H2,1-5H3,(H,22,26)(H,23,25)(H,24,27)/t15-,16+,21+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	<1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description Binding affinity was evaluated against matrix metalloprotease-9				Bioorg Med Chem Lett 8: 837-42 (1999) BindingDB Entry DOI: 10.7270/Q29022WN
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50217904 (3-(5-chloro-thiophene-2-sulfonyl)-1-pyrrolidin-3-y...) Show SMILES Clc1ccc(CS(=O)(=O)c2cn(C3CCNC3)c3ncccc23)s1 |w:12.11| Show InChI InChI=1S/C16H16ClN3O2S2/c17-15-4-3-12(23-15)10-24(21,22)14-9-20(11-5-7-18-8-11)16-13(14)2-1-6-19-16/h1-4,6,9,11,18H,5,7-8,10H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H]LSD from cloned human 5HT6 expressed in HeLa cells				Bioorg Med Chem 15: 6208-26 (2007) Article DOI: 10.1016/j.bmc.2007.06.024 BindingDB Entry DOI: 10.7270/Q2HT2P2G
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50064340 ((2R,3S)-N*4*-Hydroxy-2-isobutyl-N*1*-[(R)-2-(4-met...) Show SMILES CNC(=O)[C@@H](Cc1ccc(OC)cc1)NC(=O)[C@H](CC(C)C)[C@H](C)C(=O)NO Show InChI InChI=1S/C20H31N3O5/c1-12(2)10-16(13(3)18(24)23-27)19(25)22-17(20(26)21-4)11-14-6-8-15(28-5)9-7-14/h6-9,12-13,16-17,27H,10-11H2,1-5H3,(H,21,26)(H,22,25)(H,23,24)/t13-,16+,17+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	<1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description In vitro inhibition of human MMP-9.				J Med Chem 44: 2636-60 (2001) BindingDB Entry DOI: 10.7270/Q2FB53NR
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50102600 (12-Isobutyl-4-methyl-3,11-dioxo-1-oxa-4,10-diaza-c...) Show SMILES CNC(=O)[C@@H]1CCCCN(C)C(=O)CO[C@@H]([C@@H](CC(C)C)C(=O)N1)C(=O)NO Show InChI InChI=1S/C18H32N4O6/c1-11(2)9-12-15(18(26)21-27)28-10-14(23)22(4)8-6-5-7-13(17(25)19-3)20-16(12)24/h11-13,15,27H,5-10H2,1-4H3,(H,19,25)(H,20,24)(H,21,26)/t12-,13+,15+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	<1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description In vitro inhibition of human MMP-1.				J Med Chem 44: 2636-60 (2001) BindingDB Entry DOI: 10.7270/Q2FB53NR
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50076995 ((6S,9R,10S)-10-Hydroxycarbamoyl-9-isobutyl-6-methy...) Show SMILES CNC(=O)[C@@H]1CCCCN(CCC[C@@H]([C@@H](CC(C)C)C(=O)N1)C(=O)NO)C(=O)OC(C)(C)C Show InChI InChI=1S/C23H42N4O6/c1-15(2)14-17-16(20(29)26-32)10-9-13-27(22(31)33-23(3,4)5)12-8-7-11-18(21(30)24-6)25-19(17)28/h15-18,32H,7-14H2,1-6H3,(H,24,30)(H,25,28)(H,26,29)/t16-,17+,18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	<1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description In vitro inhibition of human MMP-9.				J Med Chem 44: 2636-60 (2001) BindingDB Entry DOI: 10.7270/Q2FB53NR
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50217900 (3-(6-chloro-imidazo[2,1-b]thiazole-5-sulfonyl)-1-p...) Show SMILES ClC1=NC2SC=CN2C1S(=O)(=O)c1cn(C2CCNC2)c2ncccc12 |c:5,t:1| Show InChI InChI=1S/C16H16ClN5O2S2/c17-13-15(21-6-7-25-16(21)20-13)26(23,24)12-9-22(10-3-5-18-8-10)14-11(12)2-1-4-19-14/h1-2,4,6-7,9-10,15-16,18H,3,5,8H2	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
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H]LSD from cloned human 5HT6 expressed in HeLa cells				Bioorg Med Chem 15: 6208-26 (2007) Article DOI: 10.1016/j.bmc.2007.06.024 BindingDB Entry DOI: 10.7270/Q2HT2P2G
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50063917 ((2S,3R)-N(4)-[(2S)-3,3-dimethyl-1-(methylamino)-1-...) Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](O)C(=O)NO)C(C)(C)C |r| Show InChI InChI=1S/C15H29N3O5/c1-8(2)7-9(10(19)13(21)18-23)12(20)17-11(14(22)16-6)15(3,4)5/h8-11,19,23H,7H2,1-6H3,(H,16,22)(H,17,20)(H,18,21)/t9-,10+,11-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PubMed	<1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description In vitro inhibition of human MMP-9.				J Med Chem 44: 2636-60 (2001) BindingDB Entry DOI: 10.7270/Q2FB53NR
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50076991 ((2S,11S,12R)-7-Benzenesulfonyl-12-isobutyl-13-oxo-...) Show SMILES CNC(=O)[C@@H]1CCCCN(CCC[C@@H]([C@@H](CC(C)C)C(=O)N1)C(=O)NO)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C24H38N4O6S/c1-17(2)16-20-19(23(30)27-32)12-9-15-28(35(33,34)18-10-5-4-6-11-18)14-8-7-13-21(24(31)25-3)26-22(20)29/h4-6,10-11,17,19-21,32H,7-9,12-16H2,1-3H3,(H,25,31)(H,26,29)(H,27,30)/t19-,20+,21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	<1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description In vitro inhibition of human MMP-1.				J Med Chem 44: 2636-60 (2001) BindingDB Entry DOI: 10.7270/Q2FB53NR
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50063917 ((2S,3R)-N(4)-[(2S)-3,3-dimethyl-1-(methylamino)-1-...) Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](O)C(=O)NO)C(C)(C)C |r| Show InChI InChI=1S/C15H29N3O5/c1-8(2)7-9(10(19)13(21)18-23)12(20)17-11(14(22)16-6)15(3,4)5/h8-11,19,23H,7H2,1-6H3,(H,16,22)(H,17,20)(H,18,21)/t9-,10+,11-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PubMed	<1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description In vitro inhibition of human MMP-1.				J Med Chem 44: 2636-60 (2001) BindingDB Entry DOI: 10.7270/Q2FB53NR
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50102604 (11-Isobutyl-2,10-dioxo-1-oxa-3,9-diaza-cyclopentad...) Show SMILES CNC(=O)[C@@H]1CCCCNC(=O)OCCC[C@@H]([C@@H](CC(C)C)C(=O)N1)C(=O)NO Show InChI InChI=1S/C19H34N4O6/c1-12(2)11-14-13(17(25)23-28)7-6-10-29-19(27)21-9-5-4-8-15(18(26)20-3)22-16(14)24/h12-15,28H,4-11H2,1-3H3,(H,20,26)(H,21,27)(H,22,24)(H,23,25)/t13-,14+,15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	<1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description In vitro inhibition of human MMP-1.				J Med Chem 44: 2636-60 (2001) BindingDB Entry DOI: 10.7270/Q2FB53NR
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50102630 (11-Isobutyl-3-methyl-2,10-dioxo-1-oxa-3,9-diaza-cy...) Show SMILES CNC(=O)[C@@H]1CCCCN(C)C(=O)OCCC[C@@H]([C@@H](CC(C)C)C(=O)N1)C(=O)NO Show InChI InChI=1S/C20H36N4O6/c1-13(2)12-15-14(18(26)23-29)8-7-11-30-20(28)24(4)10-6-5-9-16(19(27)21-3)22-17(15)25/h13-16,29H,5-12H2,1-4H3,(H,21,27)(H,22,25)(H,23,26)/t14-,15+,16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	<1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description In vitro inhibition of human MMP-9.				J Med Chem 44: 2636-60 (2001) BindingDB Entry DOI: 10.7270/Q2FB53NR
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50069213 ((2R,3R)-N*4*-((S)-5-Amino-1-phenethylcarbamoyl-pen...) Show SMILES C[C@@](O)([C@@H](CCCc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)NCCc1ccccc1)C(=O)NO Show InChI InChI=1S/C28H40N4O5/c1-28(36,27(35)32-37)23(16-10-15-21-11-4-2-5-12-21)25(33)31-24(17-8-9-19-29)26(34)30-20-18-22-13-6-3-7-14-22/h2-7,11-14,23-24,36-37H,8-10,15-20,29H2,1H3,(H,30,34)(H,31,33)(H,32,35)/t23-,24-,28+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description Binding affinity was evaluated against matrix metalloproteinase-9				Bioorg Med Chem Lett 8: 837-42 (1999) BindingDB Entry DOI: 10.7270/Q29022WN
					More data for this Ligand-Target Pair

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