Compile Data Set for Download or QSAR

Found 56 hits Enz. Inhib. hit(s) with all data for entry = 50013398   

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
Neutrophil collagenase (Homo sapiens (Human))	BDBM50130099 (4-{(R)-4-[Benzo[1,3]dioxol-5-ylmethyl-(4-methoxy-b...) Show SMILES CCOC(=O)N1CCN(CC1)C(=O)CC[C@@H](N(Cc1ccc2OCOc2c1)S(=O)(=O)c1ccc(OC)cc1)C(=O)NO Show InChI InChI=1S/C27H34N4O10S/c1-3-39-27(34)30-14-12-29(13-15-30)25(32)11-9-22(26(33)28-35)31(17-19-4-10-23-24(16-19)41-18-40-23)42(36,37)21-7-5-20(38-2)6-8-21/h4-8,10,16,22,35H,3,9,11-15,17-18H2,1-2H3,(H,28,33)/t22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CombiChem Inc. Curated by ChEMBL					Assay Description Inhibition of MMP-8				Bioorg Med Chem Lett 13: 2381-4 (2003) BindingDB Entry DOI: 10.7270/Q26H4GS8
					More data for this Ligand-Target Pair
Neutrophil collagenase (Homo sapiens (Human))	BDBM50130108 ((R)-5-(4-Acetyl-piperazin-1-yl)-2-[benzo[1,3]dioxo...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc2OCOc2c1)[C@H](CCC(=O)N1CCN(CC1)C(C)=O)C(=O)NO Show InChI InChI=1S/C26H32N4O9S/c1-18(31)28-11-13-29(14-12-28)25(32)10-8-22(26(33)27-34)30(16-19-3-9-23-24(15-19)39-17-38-23)40(35,36)21-6-4-20(37-2)5-7-21/h3-7,9,15,22,34H,8,10-14,16-17H2,1-2H3,(H,27,33)/t22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CombiChem Inc. Curated by ChEMBL					Assay Description Inhibition of MMP-8				Bioorg Med Chem Lett 13: 2381-4 (2003) BindingDB Entry DOI: 10.7270/Q26H4GS8
					More data for this Ligand-Target Pair
Bone morphogenetic protein 1 (Homo sapiens (Human))	BDBM50130114 ((R)-2-[Benzo[1,3]dioxol-5-ylmethyl-(4-methoxy-benz...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc2OCOc2c1)[C@H](CCC(=O)NCc1ccc(cc1)-c1ccccc1)C(=O)NO Show InChI InChI=1S/C33H33N3O8S/c1-42-27-12-14-28(15-13-27)45(40,41)36(21-24-9-17-30-31(19-24)44-22-43-30)29(33(38)35-39)16-18-32(37)34-20-23-7-10-26(11-8-23)25-5-3-2-4-6-25/h2-15,17,19,29,39H,16,18,20-22H2,1H3,(H,34,37)(H,35,38)/t29-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CombiChem Inc. Curated by ChEMBL					Assay Description Ability to inhibit procollagen C-terminal proteinase (PCP) tested in vitro				Bioorg Med Chem Lett 13: 2381-4 (2003) BindingDB Entry DOI: 10.7270/Q26H4GS8
					More data for this Ligand-Target Pair
Bone morphogenetic protein 1 (Homo sapiens (Human))	BDBM50130131 ((R)-2-[Benzo[1,3]dioxol-5-ylmethyl-(4-methoxy-benz...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc2OCOc2c1)[C@H](CCC(=O)NCCC(C)C)C(=O)NO Show InChI InChI=1S/C25H33N3O8S/c1-17(2)12-13-26-24(29)11-9-21(25(30)27-31)28(15-18-4-10-22-23(14-18)36-16-35-22)37(32,33)20-7-5-19(34-3)6-8-20/h4-8,10,14,17,21,31H,9,11-13,15-16H2,1-3H3,(H,26,29)(H,27,30)/t21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CombiChem Inc. Curated by ChEMBL					Assay Description Ability to inhibit procollagen C-terminal proteinase (PCP) tested in vitro				Bioorg Med Chem Lett 13: 2381-4 (2003) BindingDB Entry DOI: 10.7270/Q26H4GS8
					More data for this Ligand-Target Pair
Bone morphogenetic protein 1 (Homo sapiens (Human))	BDBM50130105 ((R)-2-[Benzo[1,3]dioxol-5-ylmethyl-(4-methoxy-benz...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc2OCOc2c1)[C@H](CCC(=O)N(CCC#N)Cc1ccccc1)C(=O)NO Show InChI InChI=1S/C30H32N4O8S/c1-40-24-9-11-25(12-10-24)43(38,39)34(20-23-8-14-27-28(18-23)42-21-41-27)26(30(36)32-37)13-15-29(35)33(17-5-16-31)19-22-6-3-2-4-7-22/h2-4,6-12,14,18,26,37H,5,13,15,17,19-21H2,1H3,(H,32,36)/t26-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CombiChem Inc. Curated by ChEMBL					Assay Description Ability to inhibit procollagen C-terminal proteinase (PCP) tested in vitro				Bioorg Med Chem Lett 13: 2381-4 (2003) BindingDB Entry DOI: 10.7270/Q26H4GS8
					More data for this Ligand-Target Pair
Bone morphogenetic protein 1 (Homo sapiens (Human))	BDBM50130141 ((R)-2-[Benzo[1,3]dioxol-5-ylmethyl-(4-methoxy-benz...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc2OCOc2c1)[C@H](CCC(=O)N1CCN(CC1)C(=O)c1ccccc1)C(=O)NO Show InChI InChI=1S/C31H34N4O9S/c1-42-24-8-10-25(11-9-24)45(40,41)35(20-22-7-13-27-28(19-22)44-21-43-27)26(30(37)32-39)12-14-29(36)33-15-17-34(18-16-33)31(38)23-5-3-2-4-6-23/h2-11,13,19,26,39H,12,14-18,20-21H2,1H3,(H,32,37)/t26-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CombiChem Inc. Curated by ChEMBL					Assay Description Ability to inhibit procollagen C-terminal proteinase (PCP) tested in vitro				Bioorg Med Chem Lett 13: 2381-4 (2003) BindingDB Entry DOI: 10.7270/Q26H4GS8
					More data for this Ligand-Target Pair
Bone morphogenetic protein 1 (Homo sapiens (Human))	BDBM50130123 ((R)-2-[Benzo[1,3]dioxol-5-ylmethyl-(4-methoxy-benz...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc2OCOc2c1)[C@H](CCC(=O)N1CCN(CC1)C(=O)c1ccco1)C(=O)NO Show InChI InChI=1S/C29H32N4O10S/c1-40-21-5-7-22(8-6-21)44(38,39)33(18-20-4-10-24-26(17-20)43-19-42-24)23(28(35)30-37)9-11-27(34)31-12-14-32(15-13-31)29(36)25-3-2-16-41-25/h2-8,10,16-17,23,37H,9,11-15,18-19H2,1H3,(H,30,35)/t23-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CombiChem Inc. Curated by ChEMBL					Assay Description Ability to inhibit procollagen C-terminal proteinase (PCP) tested in vitro				Bioorg Med Chem Lett 13: 2381-4 (2003) BindingDB Entry DOI: 10.7270/Q26H4GS8
					More data for this Ligand-Target Pair
Bone morphogenetic protein 1 (Homo sapiens (Human))	BDBM50130121 ((R)-ethyl 4-(4-(N-(benzo[d][1,3]dioxol-5-ylmethyl)...) Show SMILES CCOC(=O)N1CCN(CC1)C(=O)CC[C@@H](N(Cc1ccc2OCOc2c1)S(=O)(=O)c1c(C)cc(OC)c(C)c1C)C(=O)NO |r| Show InChI InChI=1S/C30H40N4O10S/c1-6-42-30(37)33-13-11-32(12-14-33)27(35)10-8-23(29(36)31-38)34(17-22-7-9-24-26(16-22)44-18-43-24)45(39,40)28-19(2)15-25(41-5)20(3)21(28)4/h7,9,15-16,23,38H,6,8,10-14,17-18H2,1-5H3,(H,31,36)/t23-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	43	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CombiChem Inc. Curated by ChEMBL					Assay Description Ability to inhibit procollagen C-terminal proteinase (PCP) tested in vitro				Bioorg Med Chem Lett 13: 2381-4 (2003) BindingDB Entry DOI: 10.7270/Q26H4GS8
					More data for this Ligand-Target Pair
Bone morphogenetic protein 1 (Homo sapiens (Human))	BDBM50130112 ((R)-5-(4-Acetyl-piperazin-1-yl)-2-[benzo[1,3]dioxo...) Show SMILES COc1cc(C)c(c(C)c1C)S(=O)(=O)N(Cc1ccc2OCOc2c1)[C@H](CCC(=O)N1CCN(CC1)C(C)=O)C(=O)NO Show InChI InChI=1S/C29H38N4O9S/c1-18-14-25(40-5)19(2)20(3)28(18)43(38,39)33(16-22-6-8-24-26(15-22)42-17-41-24)23(29(36)30-37)7-9-27(35)32-12-10-31(11-13-32)21(4)34/h6,8,14-15,23,37H,7,9-13,16-17H2,1-5H3,(H,30,36)/t23-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	63	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CombiChem Inc. Curated by ChEMBL					Assay Description Ability to inhibit procollagen C-terminal proteinase (PCP) tested in vitro				Bioorg Med Chem Lett 13: 2381-4 (2003) BindingDB Entry DOI: 10.7270/Q26H4GS8
					More data for this Ligand-Target Pair
Bone morphogenetic protein 1 (Homo sapiens (Human))	BDBM50130099 (4-{(R)-4-[Benzo[1,3]dioxol-5-ylmethyl-(4-methoxy-b...) Show SMILES CCOC(=O)N1CCN(CC1)C(=O)CC[C@@H](N(Cc1ccc2OCOc2c1)S(=O)(=O)c1ccc(OC)cc1)C(=O)NO Show InChI InChI=1S/C27H34N4O10S/c1-3-39-27(34)30-14-12-29(13-15-30)25(32)11-9-22(26(33)28-35)31(17-19-4-10-23-24(16-19)41-18-40-23)42(36,37)21-7-5-20(38-2)6-8-21/h4-8,10,16,22,35H,3,9,11-15,17-18H2,1-2H3,(H,28,33)/t22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	64	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CombiChem Inc. Curated by ChEMBL					Assay Description Ability to inhibit procollagen C-terminal proteinase (PCP) tested in vitro				Bioorg Med Chem Lett 13: 2381-4 (2003) BindingDB Entry DOI: 10.7270/Q26H4GS8
					More data for this Ligand-Target Pair
Bone morphogenetic protein 1 (Homo sapiens (Human))	BDBM50130132 (4-{(R)-4-[Benzo[1,3]dioxol-5-ylmethyl-(4-methoxy-b...) Show SMILES COc1ccc(NC(=O)N2CCN(CC2)C(=O)CC[C@@H](N(Cc2ccc3OCOc3c2)S(=O)(=O)c2ccc(OC)cc2)C(=O)NO)cc1 Show InChI InChI=1S/C32H37N5O10S/c1-44-24-6-4-23(5-7-24)33-32(40)36-17-15-35(16-18-36)30(38)14-12-27(31(39)34-41)37(20-22-3-13-28-29(19-22)47-21-46-28)48(42,43)26-10-8-25(45-2)9-11-26/h3-11,13,19,27,41H,12,14-18,20-21H2,1-2H3,(H,33,40)(H,34,39)/t27-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CombiChem Inc. Curated by ChEMBL					Assay Description Ability to inhibit procollagen C-terminal proteinase (PCP) tested in vitro				Bioorg Med Chem Lett 13: 2381-4 (2003) BindingDB Entry DOI: 10.7270/Q26H4GS8
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50130099 (4-{(R)-4-[Benzo[1,3]dioxol-5-ylmethyl-(4-methoxy-b...) Show SMILES CCOC(=O)N1CCN(CC1)C(=O)CC[C@@H](N(Cc1ccc2OCOc2c1)S(=O)(=O)c1ccc(OC)cc1)C(=O)NO Show InChI InChI=1S/C27H34N4O10S/c1-3-39-27(34)30-14-12-29(13-15-30)25(32)11-9-22(26(33)28-35)31(17-19-4-10-23-24(16-19)41-18-40-23)42(36,37)21-7-5-20(38-2)6-8-21/h4-8,10,16,22,35H,3,9,11-15,17-18H2,1-2H3,(H,28,33)/t22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CombiChem Inc. Curated by ChEMBL					Assay Description Inhibition of matrix metalloproteinase-1				Bioorg Med Chem Lett 13: 2381-4 (2003) BindingDB Entry DOI: 10.7270/Q26H4GS8
					More data for this Ligand-Target Pair
Bone morphogenetic protein 1 (Homo sapiens (Human))	BDBM50130130 ((R)-2-[Benzo[1,3]dioxol-5-ylmethyl-(4-methoxy-benz...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc2OCOc2c1)[C@H](CCC(=O)NCc1ccccc1)C(=O)NO Show InChI InChI=1S/C27H29N3O8S/c1-36-21-8-10-22(11-9-21)39(34,35)30(17-20-7-13-24-25(15-20)38-18-37-24)23(27(32)29-33)12-14-26(31)28-16-19-5-3-2-4-6-19/h2-11,13,15,23,33H,12,14,16-18H2,1H3,(H,28,31)(H,29,32)/t23-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	98	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CombiChem Inc. Curated by ChEMBL					Assay Description Ability to inhibit procollagen C-terminal proteinase (PCP) tested in vitro				Bioorg Med Chem Lett 13: 2381-4 (2003) BindingDB Entry DOI: 10.7270/Q26H4GS8
					More data for this Ligand-Target Pair
Bone morphogenetic protein 1 (Homo sapiens (Human))	BDBM50130106 (4-{(R)-4-[Benzo[1,3]dioxol-5-ylmethyl-(4-methoxy-2...) Show SMILES COc1cc(C)c(c(C)c1C)S(=O)(=O)N(Cc1ccc2OCOc2c1)[C@H](CCC(=O)N1CCN(CC1)C(=O)OCc1ccccc1)C(=O)NO Show InChI InChI=1S/C35H42N4O10S/c1-23-18-30(46-4)24(2)25(3)33(23)50(44,45)39(20-27-10-12-29-31(19-27)49-22-48-29)28(34(41)36-43)11-13-32(40)37-14-16-38(17-15-37)35(42)47-21-26-8-6-5-7-9-26/h5-10,12,18-19,28,43H,11,13-17,20-22H2,1-4H3,(H,36,41)/t28-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CombiChem Inc. Curated by ChEMBL					Assay Description Ability to inhibit procollagen C-terminal proteinase (PCP) tested in vitro				Bioorg Med Chem Lett 13: 2381-4 (2003) BindingDB Entry DOI: 10.7270/Q26H4GS8
					More data for this Ligand-Target Pair
Bone morphogenetic protein 1 (Homo sapiens (Human))	BDBM50130136 ((R)-2-[Benzo[1,3]dioxol-5-ylmethyl-(4-methoxy-benz...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc2OCOc2c1)[C@H](CCC(=O)N(CCc1ccccc1)Cc1ccccc1)C(=O)NO Show InChI InChI=1S/C35H37N3O8S/c1-44-29-13-15-30(16-14-29)47(42,43)38(24-28-12-18-32-33(22-28)46-25-45-32)31(35(40)36-41)17-19-34(39)37(23-27-10-6-3-7-11-27)21-20-26-8-4-2-5-9-26/h2-16,18,22,31,41H,17,19-21,23-25H2,1H3,(H,36,40)/t31-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CombiChem Inc. Curated by ChEMBL					Assay Description Ability to inhibit procollagen C-terminal proteinase (PCP) tested in vitro				Bioorg Med Chem Lett 13: 2381-4 (2003) BindingDB Entry DOI: 10.7270/Q26H4GS8
					More data for this Ligand-Target Pair
Bone morphogenetic protein 1 (Homo sapiens (Human))	BDBM50130128 (4-{(R)-4-[Benzo[1,3]dioxol-5-ylmethyl-(4-methoxy-b...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc2OCOc2c1)[C@H](CCC(=O)N1CCN(CC1)C(=O)Nc1cccc(OC)c1)C(=O)NO Show InChI InChI=1S/C32H37N5O10S/c1-44-24-7-9-26(10-8-24)48(42,43)37(20-22-6-12-28-29(18-22)47-21-46-28)27(31(39)34-41)11-13-30(38)35-14-16-36(17-15-35)32(40)33-23-4-3-5-25(19-23)45-2/h3-10,12,18-19,27,41H,11,13-17,20-21H2,1-2H3,(H,33,40)(H,34,39)/t27-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	105	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CombiChem Inc. Curated by ChEMBL					Assay Description Ability to inhibit procollagen C-terminal proteinase (PCP) tested in vitro				Bioorg Med Chem Lett 13: 2381-4 (2003) BindingDB Entry DOI: 10.7270/Q26H4GS8
					More data for this Ligand-Target Pair
Bone morphogenetic protein 1 (Homo sapiens (Human))	BDBM50130102 ((R)-2-[Benzo[1,3]dioxol-5-ylmethyl-(4-methoxy-2,3,...) Show SMILES COc1cc(C)c(c(C)c1C)S(=O)(=O)N(Cc1ccc2OCOc2c1)[C@H](CCC(=O)N1CCN(CC1)c1ccccc1)C(=O)NO Show InChI InChI=1S/C33H40N4O8S/c1-22-18-29(43-4)23(2)24(3)32(22)46(41,42)37(20-25-10-12-28-30(19-25)45-21-44-28)27(33(39)34-40)11-13-31(38)36-16-14-35(15-17-36)26-8-6-5-7-9-26/h5-10,12,18-19,27,40H,11,13-17,20-21H2,1-4H3,(H,34,39)/t27-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CombiChem Inc. Curated by ChEMBL					Assay Description Ability to inhibit procollagen C-terminal proteinase (PCP) tested in vitro				Bioorg Med Chem Lett 13: 2381-4 (2003) BindingDB Entry DOI: 10.7270/Q26H4GS8
					More data for this Ligand-Target Pair
Bone morphogenetic protein 1 (Homo sapiens (Human))	BDBM50130103 ((R)-2-[Benzo[1,3]dioxol-5-ylmethyl-(4-methoxy-benz...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc2OCOc2c1)[C@H](CCC(=O)N1CCC(Cc2ccccc2)CC1)C(=O)NO Show InChI InChI=1S/C32H37N3O8S/c1-41-26-8-10-27(11-9-26)44(39,40)35(21-25-7-13-29-30(20-25)43-22-42-29)28(32(37)33-38)12-14-31(36)34-17-15-24(16-18-34)19-23-5-3-2-4-6-23/h2-11,13,20,24,28,38H,12,14-19,21-22H2,1H3,(H,33,37)/t28-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CombiChem Inc. Curated by ChEMBL					Assay Description Ability to inhibit procollagen C-terminal proteinase (PCP) tested in vitro				Bioorg Med Chem Lett 13: 2381-4 (2003) BindingDB Entry DOI: 10.7270/Q26H4GS8
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50130108 ((R)-5-(4-Acetyl-piperazin-1-yl)-2-[benzo[1,3]dioxo...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc2OCOc2c1)[C@H](CCC(=O)N1CCN(CC1)C(C)=O)C(=O)NO Show InChI InChI=1S/C26H32N4O9S/c1-18(31)28-11-13-29(14-12-28)25(32)10-8-22(26(33)27-34)30(16-19-3-9-23-24(15-19)39-17-38-23)40(35,36)21-6-4-20(37-2)5-7-21/h3-7,9,15,22,34H,8,10-14,16-17H2,1-2H3,(H,27,33)/t22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CombiChem Inc. Curated by ChEMBL					Assay Description Inhibition of matrix metalloproteinase-1				Bioorg Med Chem Lett 13: 2381-4 (2003) BindingDB Entry DOI: 10.7270/Q26H4GS8
					More data for this Ligand-Target Pair
Bone morphogenetic protein 1 (Homo sapiens (Human))	BDBM50130125 ((R)-2-[Benzo[1,3]dioxol-5-ylmethyl-(4-methoxy-benz...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc2OCOc2c1)[C@H](CCC(=O)NCc1cccnc1)C(=O)NO Show InChI InChI=1S/C26H28N4O8S/c1-36-20-5-7-21(8-6-20)39(34,35)30(16-18-4-10-23-24(13-18)38-17-37-23)22(26(32)29-33)9-11-25(31)28-15-19-3-2-12-27-14-19/h2-8,10,12-14,22,33H,9,11,15-17H2,1H3,(H,28,31)(H,29,32)/t22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CombiChem Inc. Curated by ChEMBL					Assay Description Ability to inhibit procollagen C-terminal proteinase (PCP) tested in vitro				Bioorg Med Chem Lett 13: 2381-4 (2003) BindingDB Entry DOI: 10.7270/Q26H4GS8
					More data for this Ligand-Target Pair
Bone morphogenetic protein 1 (Homo sapiens (Human))	BDBM50130104 ((R)-2-[Benzo[1,3]dioxol-5-ylmethyl-(4-methoxy-benz...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc2OCOc2c1)[C@H](CCC(=O)N1CCOCC1)C(=O)NO Show InChI InChI=1S/C24H29N3O9S/c1-33-18-3-5-19(6-4-18)37(31,32)27(15-17-2-8-21-22(14-17)36-16-35-21)20(24(29)25-30)7-9-23(28)26-10-12-34-13-11-26/h2-6,8,14,20,30H,7,9-13,15-16H2,1H3,(H,25,29)/t20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CombiChem Inc. Curated by ChEMBL					Assay Description Ability to inhibit procollagen C-terminal proteinase (PCP) tested in vitro				Bioorg Med Chem Lett 13: 2381-4 (2003) BindingDB Entry DOI: 10.7270/Q26H4GS8
					More data for this Ligand-Target Pair
Bone morphogenetic protein 1 (Homo sapiens (Human))	BDBM50130108 ((R)-5-(4-Acetyl-piperazin-1-yl)-2-[benzo[1,3]dioxo...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc2OCOc2c1)[C@H](CCC(=O)N1CCN(CC1)C(C)=O)C(=O)NO Show InChI InChI=1S/C26H32N4O9S/c1-18(31)28-11-13-29(14-12-28)25(32)10-8-22(26(33)27-34)30(16-19-3-9-23-24(15-19)39-17-38-23)40(35,36)21-6-4-20(37-2)5-7-21/h3-7,9,15,22,34H,8,10-14,16-17H2,1-2H3,(H,27,33)/t22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CombiChem Inc. Curated by ChEMBL					Assay Description Ability to inhibit procollagen C-terminal proteinase (PCP) tested in vitro				Bioorg Med Chem Lett 13: 2381-4 (2003) BindingDB Entry DOI: 10.7270/Q26H4GS8
					More data for this Ligand-Target Pair
Bone morphogenetic protein 1 (Homo sapiens (Human))	BDBM50130100 ((R)-2-[Benzo[1,3]dioxol-5-ylmethyl-(4-methoxy-benz...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc2OCOc2c1)[C@H](CCC(=O)N1CCN(CC1)c1ccccn1)C(=O)NO Show InChI InChI=1S/C29H33N5O8S/c1-40-22-6-8-23(9-7-22)43(38,39)34(19-21-5-11-25-26(18-21)42-20-41-25)24(29(36)31-37)10-12-28(35)33-16-14-32(15-17-33)27-4-2-3-13-30-27/h2-9,11,13,18,24,37H,10,12,14-17,19-20H2,1H3,(H,31,36)/t24-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	210	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CombiChem Inc. Curated by ChEMBL					Assay Description Ability to inhibit procollagen C-terminal proteinase (PCP) tested in vitro				Bioorg Med Chem Lett 13: 2381-4 (2003) BindingDB Entry DOI: 10.7270/Q26H4GS8
					More data for this Ligand-Target Pair
Bone morphogenetic protein 1 (Homo sapiens (Human))	BDBM50130117 (4-{(R)-4-[Benzo[1,3]dioxol-5-ylmethyl-(4-methoxy-b...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc2OCOc2c1)[C@H](CCC(=O)N1CCN(CC1)C(=O)OCc1ccccc1)C(=O)NO Show InChI InChI=1S/C32H36N4O10S/c1-43-25-8-10-26(11-9-25)47(41,42)36(20-24-7-13-28-29(19-24)46-22-45-28)27(31(38)33-40)12-14-30(37)34-15-17-35(18-16-34)32(39)44-21-23-5-3-2-4-6-23/h2-11,13,19,27,40H,12,14-18,20-22H2,1H3,(H,33,38)/t27-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CombiChem Inc. Curated by ChEMBL					Assay Description Ability to inhibit procollagen C-terminal proteinase (PCP) tested in vitro				Bioorg Med Chem Lett 13: 2381-4 (2003) BindingDB Entry DOI: 10.7270/Q26H4GS8
					More data for this Ligand-Target Pair
Bone morphogenetic protein 1 (Homo sapiens (Human))	BDBM50130118 ((R)-2-[Benzo[1,3]dioxol-5-ylmethyl-(4-methoxy-benz...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc2OCOc2c1)[C@H](CCC(=O)NCC(C)C)C(=O)NO Show InChI InChI=1S/C24H31N3O8S/c1-16(2)13-25-23(28)11-9-20(24(29)26-30)27(14-17-4-10-21-22(12-17)35-15-34-21)36(31,32)19-7-5-18(33-3)6-8-19/h4-8,10,12,16,20,30H,9,11,13-15H2,1-3H3,(H,25,28)(H,26,29)/t20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CombiChem Inc. Curated by ChEMBL					Assay Description Ability to inhibit procollagen C-terminal proteinase (PCP) tested in vitro				Bioorg Med Chem Lett 13: 2381-4 (2003) BindingDB Entry DOI: 10.7270/Q26H4GS8
					More data for this Ligand-Target Pair
Bone morphogenetic protein 1 (Homo sapiens (Human))	BDBM50130134 ((R)-4-[Benzo[1,3]dioxol-5-ylmethyl-(4-methoxy-benz...) Show SMILES COC(=O)CC[C@@H](N(Cc1ccc2OCOc2c1)S(=O)(=O)c1ccc(OC)cc1)C(=O)NO Show InChI InChI=1S/C21H24N2O9S/c1-29-15-4-6-16(7-5-15)33(27,28)23(17(21(25)22-26)8-10-20(24)30-2)12-14-3-9-18-19(11-14)32-13-31-18/h3-7,9,11,17,26H,8,10,12-13H2,1-2H3,(H,22,25)/t17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CombiChem Inc. Curated by ChEMBL					Assay Description Ability to inhibit procollagen C-terminal proteinase (PCP) tested in vitro				Bioorg Med Chem Lett 13: 2381-4 (2003) BindingDB Entry DOI: 10.7270/Q26H4GS8
					More data for this Ligand-Target Pair
Bone morphogenetic protein 1 (Homo sapiens (Human))	BDBM50130116 ((R)-2-[Benzo[1,3]dioxol-5-ylmethyl-(4-methoxy-benz...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc2OCOc2c1)[C@H](CCC(=O)N(C)C)C(=O)NO Show InChI InChI=1S/C22H27N3O8S/c1-24(2)21(26)11-9-18(22(27)23-28)25(13-15-4-10-19-20(12-15)33-14-32-19)34(29,30)17-7-5-16(31-3)6-8-17/h4-8,10,12,18,28H,9,11,13-14H2,1-3H3,(H,23,27)/t18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	330	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CombiChem Inc. Curated by ChEMBL					Assay Description Ability to inhibit procollagen C-terminal proteinase (PCP) tested in vitro				Bioorg Med Chem Lett 13: 2381-4 (2003) BindingDB Entry DOI: 10.7270/Q26H4GS8
					More data for this Ligand-Target Pair
Bone morphogenetic protein 1 (Homo sapiens (Human))	BDBM50130127 ((R)-2-[Benzo[1,3]dioxol-5-ylmethyl-(4-methoxy-benz...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc2OCOc2c1)[C@H](CCC(=O)N1CCN(CC1)S(C)(=O)=O)C(=O)NO Show InChI InChI=1S/C25H32N4O10S2/c1-37-19-4-6-20(7-5-19)41(35,36)29(16-18-3-9-22-23(15-18)39-17-38-22)21(25(31)26-32)8-10-24(30)27-11-13-28(14-12-27)40(2,33)34/h3-7,9,15,21,32H,8,10-14,16-17H2,1-2H3,(H,26,31)/t21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	340	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CombiChem Inc. Curated by ChEMBL					Assay Description Ability to inhibit procollagen C-terminal proteinase (PCP) tested in vitro				Bioorg Med Chem Lett 13: 2381-4 (2003) BindingDB Entry DOI: 10.7270/Q26H4GS8
					More data for this Ligand-Target Pair
Bone morphogenetic protein 1 (Homo sapiens (Human))	BDBM50130129 ((R)-2-[Benzo[1,3]dioxol-5-ylmethyl-(4-methoxy-benz...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc2OCOc2c1)[C@H](CCC(=O)N1CCN(CC1)c1ccccc1)C(=O)NO Show InChI InChI=1S/C30H34N4O8S/c1-40-24-8-10-25(11-9-24)43(38,39)34(20-22-7-13-27-28(19-22)42-21-41-27)26(30(36)31-37)12-14-29(35)33-17-15-32(16-18-33)23-5-3-2-4-6-23/h2-11,13,19,26,37H,12,14-18,20-21H2,1H3,(H,31,36)/t26-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	340	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CombiChem Inc. Curated by ChEMBL					Assay Description Ability to inhibit procollagen C-terminal proteinase (PCP) tested in vitro				Bioorg Med Chem Lett 13: 2381-4 (2003) BindingDB Entry DOI: 10.7270/Q26H4GS8
					More data for this Ligand-Target Pair
Bone morphogenetic protein 1 (Homo sapiens (Human))	BDBM50130107 ((R)-2-[Benzo[1,3]dioxol-5-ylmethyl-(4-methoxy-benz...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc2OCOc2c1)[C@H](CCC(=O)N(Cc1ccccc1)Cc1ccccc1)C(=O)NO Show InChI InChI=1S/C34H35N3O8S/c1-43-28-13-15-29(16-14-28)46(41,42)37(23-27-12-18-31-32(20-27)45-24-44-31)30(34(39)35-40)17-19-33(38)36(21-25-8-4-2-5-9-25)22-26-10-6-3-7-11-26/h2-16,18,20,30,40H,17,19,21-24H2,1H3,(H,35,39)/t30-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CombiChem Inc. Curated by ChEMBL					Assay Description Ability to inhibit procollagen C-terminal proteinase (PCP) tested in vitro				Bioorg Med Chem Lett 13: 2381-4 (2003) BindingDB Entry DOI: 10.7270/Q26H4GS8
					More data for this Ligand-Target Pair
Bone morphogenetic protein 1 (Homo sapiens (Human))	BDBM50130124 ((R)-2-[Benzo[1,3]dioxol-5-ylmethyl-(4-methoxy-benz...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc2OCOc2c1)[C@H](CCC(=O)NCC1CCCCC1)C(=O)NO Show InChI InChI=1S/C27H35N3O8S/c1-36-21-8-10-22(11-9-21)39(34,35)30(17-20-7-13-24-25(15-20)38-18-37-24)23(27(32)29-33)12-14-26(31)28-16-19-5-3-2-4-6-19/h7-11,13,15,19,23,33H,2-6,12,14,16-18H2,1H3,(H,28,31)(H,29,32)/t23-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	410	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CombiChem Inc. Curated by ChEMBL					Assay Description Ability to inhibit procollagen C-terminal proteinase (PCP) tested in vitro				Bioorg Med Chem Lett 13: 2381-4 (2003) BindingDB Entry DOI: 10.7270/Q26H4GS8
					More data for this Ligand-Target Pair
Bone morphogenetic protein 1 (Homo sapiens (Human))	BDBM50130110 ((R)-2-[Benzo[1,3]dioxol-5-ylmethyl-(4-methoxy-benz...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc2OCOc2c1)[C@H](CCC(=O)N(CCC#N)Cc1cccnc1)C(=O)NO Show InChI InChI=1S/C29H31N5O8S/c1-40-23-6-8-24(9-7-23)43(38,39)34(19-21-5-11-26-27(16-21)42-20-41-26)25(29(36)32-37)10-12-28(35)33(15-3-13-30)18-22-4-2-14-31-17-22/h2,4-9,11,14,16-17,25,37H,3,10,12,15,18-20H2,1H3,(H,32,36)/t25-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	480	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CombiChem Inc. Curated by ChEMBL					Assay Description Ability to inhibit procollagen C-terminal proteinase (PCP) tested in vitro				Bioorg Med Chem Lett 13: 2381-4 (2003) BindingDB Entry DOI: 10.7270/Q26H4GS8
					More data for this Ligand-Target Pair
Bone morphogenetic protein 1 (Homo sapiens (Human))	BDBM50130137 ((R)-2-[Benzo[1,3]dioxol-5-ylmethyl-(4-methoxy-benz...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc2OCOc2c1)[C@H](CCC(=O)NCc1ccccn1)C(=O)NO Show InChI InChI=1S/C26H28N4O8S/c1-36-20-6-8-21(9-7-20)39(34,35)30(16-18-5-11-23-24(14-18)38-17-37-23)22(26(32)29-33)10-12-25(31)28-15-19-4-2-3-13-27-19/h2-9,11,13-14,22,33H,10,12,15-17H2,1H3,(H,28,31)(H,29,32)/t22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	530	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CombiChem Inc. Curated by ChEMBL					Assay Description Ability to inhibit procollagen C-terminal proteinase (PCP) tested in vitro				Bioorg Med Chem Lett 13: 2381-4 (2003) BindingDB Entry DOI: 10.7270/Q26H4GS8
					More data for this Ligand-Target Pair
Bone morphogenetic protein 1 (Homo sapiens (Human))	BDBM50130135 ((R)-2-[Benzo[1,3]dioxol-5-ylmethyl-(4-methoxy-benz...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc2OCOc2c1)[C@H](CCC(=O)N1CCN(Cc2cccnc2)CC1)C(=O)NO Show InChI InChI=1S/C30H35N5O8S/c1-41-24-5-7-25(8-6-24)44(39,40)35(20-22-4-10-27-28(17-22)43-21-42-27)26(30(37)32-38)9-11-29(36)34-15-13-33(14-16-34)19-23-3-2-12-31-18-23/h2-8,10,12,17-18,26,38H,9,11,13-16,19-21H2,1H3,(H,32,37)/t26-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	620	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CombiChem Inc. Curated by ChEMBL					Assay Description Ability to inhibit procollagen C-terminal proteinase (PCP) tested in vitro				Bioorg Med Chem Lett 13: 2381-4 (2003) BindingDB Entry DOI: 10.7270/Q26H4GS8
					More data for this Ligand-Target Pair
Bone morphogenetic protein 1 (Homo sapiens (Human))	BDBM50130109 ((R)-2-[Benzo[1,3]dioxol-5-ylmethyl-(4-methoxy-benz...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc2OCOc2c1)[C@H](CCC(=O)NCC1CC1)C(=O)NO Show InChI InChI=1S/C24H29N3O8S/c1-33-18-5-7-19(8-6-18)36(31,32)27(14-17-4-10-21-22(12-17)35-15-34-21)20(24(29)26-30)9-11-23(28)25-13-16-2-3-16/h4-8,10,12,16,20,30H,2-3,9,11,13-15H2,1H3,(H,25,28)(H,26,29)/t20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	660	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CombiChem Inc. Curated by ChEMBL					Assay Description Ability to inhibit procollagen C-terminal proteinase (PCP) tested in vitro				Bioorg Med Chem Lett 13: 2381-4 (2003) BindingDB Entry DOI: 10.7270/Q26H4GS8
					More data for this Ligand-Target Pair
Bone morphogenetic protein 1 (Homo sapiens (Human))	BDBM50130111 ((R)-2-[Benzo[1,3]dioxol-5-ylmethyl-(4-methoxy-benz...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc2OCOc2c1)[C@H](CCC(=O)N1CCN(Cc2ccccc2)CC1)C(=O)NO Show InChI InChI=1S/C31H36N4O8S/c1-41-25-8-10-26(11-9-25)44(39,40)35(21-24-7-13-28-29(19-24)43-22-42-28)27(31(37)32-38)12-14-30(36)34-17-15-33(16-18-34)20-23-5-3-2-4-6-23/h2-11,13,19,27,38H,12,14-18,20-22H2,1H3,(H,32,37)/t27-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	740	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CombiChem Inc. Curated by ChEMBL					Assay Description Ability to inhibit procollagen C-terminal proteinase (PCP) tested in vitro				Bioorg Med Chem Lett 13: 2381-4 (2003) BindingDB Entry DOI: 10.7270/Q26H4GS8
					More data for this Ligand-Target Pair
Bone morphogenetic protein 1 (Homo sapiens (Human))	BDBM50130133 (3-[Benzo[1,3]dioxol-5-ylmethyl-(4-methoxy-benzenes...) Show SMILES COC(=O)C[C@@H](N(Cc1ccc2OCOc2c1)S(=O)(=O)c1ccc(OC)cc1)C(=O)NO Show InChI InChI=1S/C20H22N2O9S/c1-28-14-4-6-15(7-5-14)32(26,27)22(16(20(24)21-25)10-19(23)29-2)11-13-3-8-17-18(9-13)31-12-30-17/h3-9,16,25H,10-12H2,1-2H3,(H,21,24)/t16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	950	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CombiChem Inc. Curated by ChEMBL					Assay Description Ability to inhibit procollagen C-terminal proteinase (PCP) tested in vitro				Bioorg Med Chem Lett 13: 2381-4 (2003) BindingDB Entry DOI: 10.7270/Q26H4GS8
					More data for this Ligand-Target Pair
Bone morphogenetic protein 1 (Homo sapiens (Human))	BDBM50130140 ((R)-2-[Benzo[1,3]dioxol-5-ylmethyl-(4-methoxy-benz...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc2OCOc2c1)[C@H](CCC(=O)N1CCN(Cc2ccncc2)CC1)C(=O)NO Show InChI InChI=1S/C30H35N5O8S/c1-41-24-3-5-25(6-4-24)44(39,40)35(20-23-2-8-27-28(18-23)43-21-42-27)26(30(37)32-38)7-9-29(36)34-16-14-33(15-17-34)19-22-10-12-31-13-11-22/h2-6,8,10-13,18,26,38H,7,9,14-17,19-21H2,1H3,(H,32,37)/t26-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CombiChem Inc. Curated by ChEMBL					Assay Description Ability to inhibit procollagen C-terminal proteinase (PCP) tested in vitro				Bioorg Med Chem Lett 13: 2381-4 (2003) BindingDB Entry DOI: 10.7270/Q26H4GS8
					More data for this Ligand-Target Pair
Bone morphogenetic protein 1 (Homo sapiens (Human))	BDBM50130138 ((R)-2-[Benzo[1,3]dioxol-5-ylmethyl-(4-methoxy-benz...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc2OCOc2c1)[C@H](CCC(=O)N1CCN(Cc2ccccn2)CC1)C(=O)NO Show InChI InChI=1S/C30H35N5O8S/c1-41-24-6-8-25(9-7-24)44(39,40)35(19-22-5-11-27-28(18-22)43-21-42-27)26(30(37)32-38)10-12-29(36)34-16-14-33(15-17-34)20-23-4-2-3-13-31-23/h2-9,11,13,18,26,38H,10,12,14-17,19-21H2,1H3,(H,32,37)/t26-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CombiChem Inc. Curated by ChEMBL					Assay Description Ability to inhibit procollagen C-terminal proteinase (PCP) tested in vitro				Bioorg Med Chem Lett 13: 2381-4 (2003) BindingDB Entry DOI: 10.7270/Q26H4GS8
					More data for this Ligand-Target Pair
Bone morphogenetic protein 1 (Homo sapiens (Human))	BDBM50130126 ((R)-2-[Benzo[1,3]dioxol-5-ylmethyl-(4-methoxy-benz...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc2OCOc2c1)[C@H](CCC(=O)N1CCN(C)CC1)C(=O)NO Show InChI InChI=1S/C25H32N4O8S/c1-27-11-13-28(14-12-27)24(30)10-8-21(25(31)26-32)29(16-18-3-9-22-23(15-18)37-17-36-22)38(33,34)20-6-4-19(35-2)5-7-20/h3-7,9,15,21,32H,8,10-14,16-17H2,1-2H3,(H,26,31)/t21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CombiChem Inc. Curated by ChEMBL					Assay Description Ability to inhibit procollagen C-terminal proteinase (PCP) tested in vitro				Bioorg Med Chem Lett 13: 2381-4 (2003) BindingDB Entry DOI: 10.7270/Q26H4GS8
					More data for this Ligand-Target Pair
Bone morphogenetic protein 1 (Homo sapiens (Human))	BDBM50130119 ((R)-2-[Benzo[1,3]dioxol-5-ylmethyl-(4-methoxy-benz...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc2OCOc2c1)[C@H](CCC(=O)NCc1ccncc1)C(=O)NO Show InChI InChI=1S/C26H28N4O8S/c1-36-20-3-5-21(6-4-20)39(34,35)30(16-19-2-8-23-24(14-19)38-17-37-23)22(26(32)29-33)7-9-25(31)28-15-18-10-12-27-13-11-18/h2-6,8,10-14,22,33H,7,9,15-17H2,1H3,(H,28,31)(H,29,32)/t22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.17E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CombiChem Inc. Curated by ChEMBL					Assay Description Ability to inhibit procollagen C-terminal proteinase (PCP) tested in vitro				Bioorg Med Chem Lett 13: 2381-4 (2003) BindingDB Entry DOI: 10.7270/Q26H4GS8
					More data for this Ligand-Target Pair
Bone morphogenetic protein 1 (Homo sapiens (Human))	BDBM50130142 ((R)-2-[Benzo[1,3]dioxol-5-ylmethyl-(4-methoxy-benz...) Show SMILES CCNC(=O)CC[C@@H](N(Cc1ccc2OCOc2c1)S(=O)(=O)c1ccc(OC)cc1)C(=O)NO Show InChI InChI=1S/C22H27N3O8S/c1-3-23-21(26)11-9-18(22(27)24-28)25(13-15-4-10-19-20(12-15)33-14-32-19)34(29,30)17-7-5-16(31-2)6-8-17/h4-8,10,12,18,28H,3,9,11,13-14H2,1-2H3,(H,23,26)(H,24,27)/t18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CombiChem Inc. Curated by ChEMBL					Assay Description Ability to inhibit procollagen C-terminal proteinase (PCP) tested in vitro				Bioorg Med Chem Lett 13: 2381-4 (2003) BindingDB Entry DOI: 10.7270/Q26H4GS8
					More data for this Ligand-Target Pair
Bone morphogenetic protein 1 (Homo sapiens (Human))	BDBM50130101 ((R)-2-[Benzo[1,3]dioxol-5-ylmethyl-(4-methoxy-benz...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc2OCOc2c1)[C@H](CCC(=O)N1CCNCC1)C(=O)NO Show InChI InChI=1S/C24H30N4O8S/c1-34-18-3-5-19(6-4-18)37(32,33)28(15-17-2-8-21-22(14-17)36-16-35-21)20(24(30)26-31)7-9-23(29)27-12-10-25-11-13-27/h2-6,8,14,20,25,31H,7,9-13,15-16H2,1H3,(H,26,30)/t20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CombiChem Inc. Curated by ChEMBL					Assay Description Ability to inhibit procollagen C-terminal proteinase (PCP) tested in vitro				Bioorg Med Chem Lett 13: 2381-4 (2003) BindingDB Entry DOI: 10.7270/Q26H4GS8
					More data for this Ligand-Target Pair
Bone morphogenetic protein 1 (Homo sapiens (Human))	BDBM50130113 ((R)-2-[Benzo[1,3]dioxol-5-ylmethyl-(4-methoxy-benz...) Show SMILES CCN(CC)C(=O)CC[C@@H](N(Cc1ccc2OCOc2c1)S(=O)(=O)c1ccc(OC)cc1)C(=O)NO Show InChI InChI=1S/C24H31N3O8S/c1-4-26(5-2)23(28)13-11-20(24(29)25-30)27(15-17-6-12-21-22(14-17)35-16-34-21)36(31,32)19-9-7-18(33-3)8-10-19/h6-10,12,14,20,30H,4-5,11,13,15-16H2,1-3H3,(H,25,29)/t20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CombiChem Inc. Curated by ChEMBL					Assay Description Ability to inhibit procollagen C-terminal proteinase (PCP) tested in vitro				Bioorg Med Chem Lett 13: 2381-4 (2003) BindingDB Entry DOI: 10.7270/Q26H4GS8
					More data for this Ligand-Target Pair
Neutrophil collagenase (Homo sapiens (Human))	BDBM50130112 ((R)-5-(4-Acetyl-piperazin-1-yl)-2-[benzo[1,3]dioxo...) Show SMILES COc1cc(C)c(c(C)c1C)S(=O)(=O)N(Cc1ccc2OCOc2c1)[C@H](CCC(=O)N1CCN(CC1)C(C)=O)C(=O)NO Show InChI InChI=1S/C29H38N4O9S/c1-18-14-25(40-5)19(2)20(3)28(18)43(38,39)33(16-22-6-8-24-26(15-22)42-17-41-24)23(29(36)30-37)7-9-27(35)32-12-10-31(11-13-32)21(4)34/h6,8,14-15,23,37H,7,9-13,16-17H2,1-5H3,(H,30,36)/t23-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CombiChem Inc. Curated by ChEMBL					Assay Description Inhibition of MMP-8				Bioorg Med Chem Lett 13: 2381-4 (2003) BindingDB Entry DOI: 10.7270/Q26H4GS8
					More data for this Ligand-Target Pair
Neutrophil collagenase (Homo sapiens (Human))	BDBM50130102 ((R)-2-[Benzo[1,3]dioxol-5-ylmethyl-(4-methoxy-2,3,...) Show SMILES COc1cc(C)c(c(C)c1C)S(=O)(=O)N(Cc1ccc2OCOc2c1)[C@H](CCC(=O)N1CCN(CC1)c1ccccc1)C(=O)NO Show InChI InChI=1S/C33H40N4O8S/c1-22-18-29(43-4)23(2)24(3)32(22)46(41,42)37(20-25-10-12-28-30(19-25)45-21-44-28)27(33(39)34-40)11-13-31(38)36-16-14-35(15-17-36)26-8-6-5-7-9-26/h5-10,12,18-19,27,40H,11,13-17,20-21H2,1-4H3,(H,34,39)/t27-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CombiChem Inc. Curated by ChEMBL					Assay Description Inhibition of MMP-8				Bioorg Med Chem Lett 13: 2381-4 (2003) BindingDB Entry DOI: 10.7270/Q26H4GS8
					More data for this Ligand-Target Pair
Bone morphogenetic protein 1 (Homo sapiens (Human))	BDBM50130115 ((R)-4-Hydroxycarbamoyl-4-[(4-methoxy-benzenesulfon...) Show SMILES COC(=O)CC[C@@H](N(Cc1ccc(OC)cc1)S(=O)(=O)c1ccc(OC)cc1)C(=O)NO Show InChI InChI=1S/C21H26N2O8S/c1-29-16-6-4-15(5-7-16)14-23(19(21(25)22-26)12-13-20(24)31-3)32(27,28)18-10-8-17(30-2)9-11-18/h4-11,19,26H,12-14H2,1-3H3,(H,22,25)/t19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CombiChem Inc. Curated by ChEMBL					Assay Description Ability to inhibit procollagen C-terminal proteinase (PCP) tested in vitro				Bioorg Med Chem Lett 13: 2381-4 (2003) BindingDB Entry DOI: 10.7270/Q26H4GS8
					More data for this Ligand-Target Pair
Neutrophil collagenase (Homo sapiens (Human))	BDBM50130121 ((R)-ethyl 4-(4-(N-(benzo[d][1,3]dioxol-5-ylmethyl)...) Show SMILES CCOC(=O)N1CCN(CC1)C(=O)CC[C@@H](N(Cc1ccc2OCOc2c1)S(=O)(=O)c1c(C)cc(OC)c(C)c1C)C(=O)NO |r| Show InChI InChI=1S/C30H40N4O10S/c1-6-42-30(37)33-13-11-32(12-14-33)27(35)10-8-23(29(36)31-38)34(17-22-7-9-24-26(16-22)44-18-43-24)45(39,40)28-19(2)15-25(41-5)20(3)21(28)4/h7,9,15-16,23,38H,6,8,10-14,17-18H2,1-5H3,(H,31,36)/t23-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CombiChem Inc. Curated by ChEMBL					Assay Description Inhibition of MMP-8				Bioorg Med Chem Lett 13: 2381-4 (2003) BindingDB Entry DOI: 10.7270/Q26H4GS8
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50130121 ((R)-ethyl 4-(4-(N-(benzo[d][1,3]dioxol-5-ylmethyl)...) Show SMILES CCOC(=O)N1CCN(CC1)C(=O)CC[C@@H](N(Cc1ccc2OCOc2c1)S(=O)(=O)c1c(C)cc(OC)c(C)c1C)C(=O)NO |r| Show InChI InChI=1S/C30H40N4O10S/c1-6-42-30(37)33-13-11-32(12-14-33)27(35)10-8-23(29(36)31-38)34(17-22-7-9-24-26(16-22)44-18-43-24)45(39,40)28-19(2)15-25(41-5)20(3)21(28)4/h7,9,15-16,23,38H,6,8,10-14,17-18H2,1-5H3,(H,31,36)/t23-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CombiChem Inc. Curated by ChEMBL					Assay Description Inhibition of matrix metalloproteinase-1				Bioorg Med Chem Lett 13: 2381-4 (2003) BindingDB Entry DOI: 10.7270/Q26H4GS8
					More data for this Ligand-Target Pair
Neutrophil collagenase (Homo sapiens (Human))	BDBM50130106 (4-{(R)-4-[Benzo[1,3]dioxol-5-ylmethyl-(4-methoxy-2...) Show SMILES COc1cc(C)c(c(C)c1C)S(=O)(=O)N(Cc1ccc2OCOc2c1)[C@H](CCC(=O)N1CCN(CC1)C(=O)OCc1ccccc1)C(=O)NO Show InChI InChI=1S/C35H42N4O10S/c1-23-18-30(46-4)24(2)25(3)33(23)50(44,45)39(20-27-10-12-29-31(19-27)49-22-48-29)28(34(41)36-43)11-13-32(40)37-14-16-38(17-15-37)35(42)47-21-26-8-6-5-7-9-26/h5-10,12,18-19,28,43H,11,13-17,20-22H2,1-4H3,(H,36,41)/t28-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
CombiChem Inc. Curated by ChEMBL					Assay Description Inhibition of MMP-8				Bioorg Med Chem Lett 13: 2381-4 (2003) BindingDB Entry DOI: 10.7270/Q26H4GS8
					More data for this Ligand-Target Pair

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