Found 2148 hits with Last Name = 'bradley' and Initial = 'ek' 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 |
|---|
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor
(Rattus norvegicus (rat)-Rattus norvegicus (Rat)) | BDBM29568
(CHEMBL2 | PRAZOSIN | PRAZOSIN HYDROCHLORIDE | [3H]...)Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)c1ccco1 Show InChI InChI=1S/C19H21N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h3-4,9-11H,5-8H2,1-2H3,(H2,20,21,22) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet 
| Purchase
CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| 0.320 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CombiChem, Inc.
Curated by ChEMBL
| Assay Description
Evaluated for binding affinity against alpha-1 adrenergic receptor |
J Med Chem 43: 2770-4 (2000)
Article DOI: 10.1021/jm990578n
BindingDB Entry DOI: 10.7270/Q23R0WMZ |
More data for this
Ligand-Target Pair | |
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor
(Rattus norvegicus (rat)-Rattus norvegicus (Rat)) | BDBM69602
(2,3-dihydro-1,4-benzodioxin-3-ylmethyl-[2-(2,6-dim...)Show InChI InChI=1S/C19H23NO5/c1-21-17-8-5-9-18(22-2)19(17)23-11-10-20-12-14-13-24-15-6-3-4-7-16(15)25-14/h3-9,14,20H,10-13H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
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 |
CombiChem, Inc.
Curated by ChEMBL
| Assay Description
Evaluated for binding affinity against alpha-1 adrenergic receptor |
J Med Chem 43: 2770-4 (2000)
Article DOI: 10.1021/jm990578n
BindingDB Entry DOI: 10.7270/Q23R0WMZ |
More data for this
Ligand-Target Pair | |
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor
(Rattus norvegicus (rat)-Rattus norvegicus (Rat)) | BDBM21398
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
Article
PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CombiChem, Inc.
Curated by ChEMBL
| Assay Description
Evaluated for binding affinity against alpha-1 adrenergic receptor |
J Med Chem 43: 2770-4 (2000)
Article DOI: 10.1021/jm990578n
BindingDB Entry DOI: 10.7270/Q23R0WMZ |
More data for this
Ligand-Target Pair | |
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor
(Rattus norvegicus (rat)-Rattus norvegicus (Rat)) | BDBM50001884
(2-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1-(2-methyl...)Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12 |t:8| Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| DrugBank
Article
PubMed
| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CombiChem, Inc.
Curated by ChEMBL
| Assay Description
Evaluated for binding affinity against alpha-1 adrenergic receptor |
J Med Chem 43: 2770-4 (2000)
Article DOI: 10.1021/jm990578n
BindingDB Entry DOI: 10.7270/Q23R0WMZ |
More data for this
Ligand-Target Pair | |
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor
(Rattus norvegicus (rat)-Rattus norvegicus (Rat)) | BDBM50472725
(CHEMBL90588 | CHIR-2279)Show SMILES NC(=O)CN(CCc1ccccc1)C(=O)CN(C(=O)CNCCc1ccc(O)cc1)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C34H36N4O4/c35-32(40)24-37(22-20-26-7-3-1-4-8-26)34(42)25-38(30-15-13-29(14-16-30)28-9-5-2-6-10-28)33(41)23-36-21-19-27-11-17-31(39)18-12-27/h1-18,36,39H,19-25H2,(H2,35,40) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CombiChem, Inc.
Curated by ChEMBL
| Assay Description
Evaluated for binding affinity against alpha-1 adrenergic receptor |
J Med Chem 43: 2770-4 (2000)
Article DOI: 10.1021/jm990578n
BindingDB Entry DOI: 10.7270/Q23R0WMZ |
More data for this
Ligand-Target Pair | |
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 | |
Bone morphogenetic protein 1
(Homo sapiens (Human)) | BDBM50129204
(CHEMBL65208 | N-{2-[Benzo[1,3]dioxol-5-ylmethyl-((...)Show SMILES COC(=O)c1ccc(cc1)C(=O)NC[C@@H](N(Cc1ccc2OCOc2c1)S(=O)(=O)c1ccc(OC)cc1)C(=O)NO Show InChI InChI=1S/C27H27N3O10S/c1-37-20-8-10-21(11-9-20)41(35,36)30(15-17-3-12-23-24(13-17)40-16-39-23)22(26(32)29-34)14-28-25(31)18-4-6-19(7-5-18)27(33)38-2/h3-13,22,34H,14-16H2,1-2H3,(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
| 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CombiChem Inc.
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against procollagen C-terminal proteinase (PCP) in HT-1080 cells using synthetic peptide as substrate |
Bioorg Med Chem Lett 13: 2101-4 (2003)
BindingDB Entry DOI: 10.7270/Q2TD9WQS |
More data for this
Ligand-Target Pair | |
Bone morphogenetic protein 1
(Homo sapiens (Human)) | BDBM50129206
(CHEMBL292073 | N-{2-[Benzo[1,3]dioxol-5-ylmethyl-(...)Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc2OCOc2c1)[C@H](CNC(=O)c1ccccc1-n1cccc1)C(=O)NO Show InChI InChI=1S/C29H28N4O8S/c1-39-21-9-11-22(12-10-21)42(37,38)33(18-20-8-13-26-27(16-20)41-19-40-26)25(29(35)31-36)17-30-28(34)23-6-2-3-7-24(23)32-14-4-5-15-32/h2-16,25,36H,17-19H2,1H3,(H,30,34)(H,31,35)/t25-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CombiChem Inc.
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against procollagen C-terminal proteinase (PCP) in HT-1080 cells using synthetic peptide as substrate |
Bioorg Med Chem Lett 13: 2101-4 (2003)
BindingDB Entry DOI: 10.7270/Q2TD9WQS |
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)) | BDBM50129212
(CHEMBL294742 | N-{2-[Benzo[1,3]dioxol-5-ylmethyl-(...)Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc2OCOc2c1)[C@H](CNC(=O)c1ccccc1)C(=O)NO Show InChI InChI=1S/C25H25N3O8S/c1-34-19-8-10-20(11-9-19)37(32,33)28(15-17-7-12-22-23(13-17)36-16-35-22)21(25(30)27-31)14-26-24(29)18-5-3-2-4-6-18/h2-13,21,31H,14-16H2,1H3,(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
| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CombiChem Inc.
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against procollagen C-terminal proteinase (PCP) in HT-1080 cells using synthetic peptide as substrate |
Bioorg Med Chem Lett 13: 2101-4 (2003)
BindingDB Entry DOI: 10.7270/Q2TD9WQS |
More data for this
Ligand-Target Pair | |
Bone morphogenetic protein 1
(Homo sapiens (Human)) | BDBM50129221
(2-[Benzo[1,3]dioxol-5-ylmethyl-((R)-4-methoxy-benz...)Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc2OCOc2c1)[C@H](CNC(=O)NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NO Show InChI InChI=1S/C25H25ClN4O10S2/c1-38-18-5-9-20(10-6-18)42(36,37)30(14-16-2-11-22-23(12-16)40-15-39-22)21(24(31)28-33)13-27-25(32)29-41(34,35)19-7-3-17(26)4-8-19/h2-12,21,33H,13-15H2,1H3,(H,28,31)(H2,27,29,32)/t21-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CombiChem Inc.
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against procollagen C-terminal proteinase (PCP) in HT-1080 cells using synthetic peptide as substrate |
Bioorg Med Chem Lett 13: 2101-4 (2003)
BindingDB Entry DOI: 10.7270/Q2TD9WQS |
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)) | BDBM50129209
(2-[Benzo[1,3]dioxol-5-ylmethyl-((R)-4-methoxy-benz...)Show SMILES CCOc1ccc(NC(=O)NC[C@@H](N(Cc2ccc3OCOc3c2)S(=O)(=O)c2ccc(OC)cc2)C(=O)NO)cc1 Show InChI InChI=1S/C27H30N4O9S/c1-3-38-21-7-5-19(6-8-21)29-27(33)28-15-23(26(32)30-34)31(16-18-4-13-24-25(14-18)40-17-39-24)41(35,36)22-11-9-20(37-2)10-12-22/h4-14,23,34H,3,15-17H2,1-2H3,(H,30,32)(H2,28,29,33)/t23-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 22 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CombiChem Inc.
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against procollagen C-terminal proteinase (PCP) in HT-1080 cells using synthetic peptide as substrate |
Bioorg Med Chem Lett 13: 2101-4 (2003)
BindingDB Entry DOI: 10.7270/Q2TD9WQS |
More data for this
Ligand-Target Pair | |
Bone morphogenetic protein 1
(Homo sapiens (Human)) | BDBM50129208
(2-[Benzo[1,3]dioxol-5-ylmethyl-((R)-4-methoxy-benz...)Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc2OCOc2c1)[C@H](CNS(=O)(=O)Cc1cccc(c1)[N+]([O-])=O)C(=O)NO Show InChI InChI=1S/C25H26N4O11S2/c1-38-20-6-8-21(9-7-20)42(36,37)28(14-17-5-10-23-24(12-17)40-16-39-23)22(25(30)27-31)13-26-41(34,35)15-18-3-2-4-19(11-18)29(32)33/h2-12,22,26,31H,13-16H2,1H3,(H,27,30)/t22-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| 28 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CombiChem Inc.
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against procollagen C-terminal proteinase (PCP) in HT-1080 cells using synthetic peptide as substrate |
Bioorg Med Chem Lett 13: 2101-4 (2003)
BindingDB Entry DOI: 10.7270/Q2TD9WQS |
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)) | BDBM50129220
(5-Methyl-isoxazole-4-carboxylic acid {3-[benzo[1,3...)Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc2OCOc2c1)[C@H](CCNC(=O)c1cnoc1C)C(=O)NO Show InChI InChI=1S/C24H26N4O9S/c1-15-19(12-26-37-15)23(29)25-10-9-20(24(30)27-31)28(13-16-3-8-21-22(11-16)36-14-35-21)38(32,33)18-6-4-17(34-2)5-7-18/h3-8,11-12,20,31H,9-10,13-14H2,1-2H3,(H,25,29)(H,27,30)/t20-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 86 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CombiChem Inc.
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against procollagen C-terminal proteinase (PCP) in HT-1080 cells using synthetic peptide as substrate |
Bioorg Med Chem Lett 13: 2101-4 (2003)
BindingDB Entry DOI: 10.7270/Q2TD9WQS |
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)) | 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 | |
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)) | 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)) | BDBM50102996
(CHEMBL62908 | N-{(R)-4-[Benzo[1,3]dioxol-5-ylmethy...)Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc2OCOc2c1)[C@H](CCCNC(=O)c1ccccc1)C(=O)NO Show InChI InChI=1S/C27H29N3O8S/c1-36-21-10-12-22(13-11-21)39(34,35)30(17-19-9-14-24-25(16-19)38-18-37-24)23(27(32)29-33)8-5-15-28-26(31)20-6-3-2-4-7-20/h2-4,6-7,9-14,16,23,33H,5,8,15,17-18H2,1H3,(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
| 100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CombiChem Inc.
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against procollagen C-terminal proteinase (PCP) in HT-1080 cells using synthetic peptide as substrate |
Bioorg Med Chem Lett 13: 2101-4 (2003)
BindingDB Entry DOI: 10.7270/Q2TD9WQS |
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)) | 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 | |
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor
(Rattus norvegicus (rat)-Rattus norvegicus (Rat)) | BDBM50472726
(CHEMBL92380 | CHIR-2283)Show SMILES NC(=O)CN(CCc1ccccc1)C(=O)CN(C(=O)CNCCc1ccc(O)cc1)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C34H36N4O5/c35-32(40)24-37(22-20-26-7-3-1-4-8-26)34(42)25-38(33(41)23-36-21-19-27-11-15-29(39)16-12-27)28-13-17-31(18-14-28)43-30-9-5-2-6-10-30/h1-18,36,39H,19-25H2,(H2,35,40) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 140 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CombiChem, Inc.
Curated by ChEMBL
| Assay Description
Evaluated for binding affinity against alpha-1 adrenergic receptor |
J Med Chem 43: 2770-4 (2000)
Article DOI: 10.1021/jm990578n
BindingDB Entry DOI: 10.7270/Q23R0WMZ |
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)) | BDBM50129215
(2-[Benzo[1,3]dioxol-5-ylmethyl-((R)-4-methoxy-benz...)Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc2OCOc2c1)[C@H](CNC(=O)CNc1cnccn1)C(=O)NO Show InChI InChI=1S/C24H26N6O8S/c1-36-17-3-5-18(6-4-17)39(34,35)30(14-16-2-7-20-21(10-16)38-15-37-20)19(24(32)29-33)11-28-23(31)13-27-22-12-25-8-9-26-22/h2-10,12,19,33H,11,13-15H2,1H3,(H,26,27)(H,28,31)(H,29,32)/t19-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 250 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CombiChem Inc.
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against procollagen C-terminal proteinase (PCP) in HT-1080 cells using synthetic peptide as substrate |
Bioorg Med Chem Lett 13: 2101-4 (2003)
BindingDB Entry DOI: 10.7270/Q2TD9WQS |
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 | |
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor
(Rattus norvegicus (rat)-Rattus norvegicus (Rat)) | BDBM50472727
(CHEMBL92379 | CHIR-2276)Show SMILES NC(=O)CN(C(=O)CN(C(=O)CNCCc1ccc(O)cc1)c1ccc(cc1)-c1ccccc1)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C38H36N4O4/c39-36(44)26-41(33-17-13-31(14-18-33)29-7-3-1-4-8-29)38(46)27-42(34-19-15-32(16-20-34)30-9-5-2-6-10-30)37(45)25-40-24-23-28-11-21-35(43)22-12-28/h1-22,40,43H,23-27H2,(H2,39,44) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 310 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CombiChem, Inc.
Curated by ChEMBL
| Assay Description
Evaluated for binding affinity against alpha-1 adrenergic receptor |
J Med Chem 43: 2770-4 (2000)
Article DOI: 10.1021/jm990578n
BindingDB Entry DOI: 10.7270/Q23R0WMZ |
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)) | 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)) | 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)) | BDBM50129207
(CHEMBL67742 | N-{(R)-5-[Benzo[1,3]dioxol-5-ylmethy...)Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc2OCOc2c1)[C@H](CCCCNC(=O)c1ccccc1)C(=O)NO Show InChI InChI=1S/C28H31N3O8S/c1-37-22-11-13-23(14-12-22)40(35,36)31(18-20-10-15-25-26(17-20)39-19-38-25)24(28(33)30-34)9-5-6-16-29-27(32)21-7-3-2-4-8-21/h2-4,7-8,10-15,17,24,34H,5-6,9,16,18-19H2,1H3,(H,29,32)(H,30,33)/t24-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 350 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CombiChem Inc.
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against procollagen C-terminal proteinase (PCP) in HT-1080 cells using synthetic peptide as substrate |
Bioorg Med Chem Lett 13: 2101-4 (2003)
BindingDB Entry DOI: 10.7270/Q2TD9WQS |
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)) | BDBM50129205
(2-[Benzo[1,3]dioxol-5-ylmethyl-((R)-4-methoxy-benz...)Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc2OCOc2c1)[C@H](CCNC(=O)CCc1nc2ccccc2[nH]1)C(=O)NO Show InChI InChI=1S/C29H31N5O8S/c1-40-20-7-9-21(10-8-20)43(38,39)34(17-19-6-11-25-26(16-19)42-18-41-25)24(29(36)33-37)14-15-30-28(35)13-12-27-31-22-4-2-3-5-23(22)32-27/h2-11,16,24,37H,12-15,17-18H2,1H3,(H,30,35)(H,31,32)(H,33,36)/t24-/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
In vitro inhibitory activity against procollagen C-terminal proteinase (PCP) in HT-1080 cells using synthetic peptide as substrate |
Bioorg Med Chem Lett 13: 2101-4 (2003)
BindingDB Entry DOI: 10.7270/Q2TD9WQS |
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)) | BDBM50129210
(CHEMBL67070 | N-{3-[Benzo[1,3]dioxol-5-ylmethyl-((...)Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc2OCOc2c1)[C@H](CCNC(=O)c1ccccc1)C(=O)NO Show InChI InChI=1S/C26H27N3O8S/c1-35-20-8-10-21(11-9-20)38(33,34)29(16-18-7-12-23-24(15-18)37-17-36-23)22(26(31)28-32)13-14-27-25(30)19-5-3-2-4-6-19/h2-12,15,22,32H,13-14,16-17H2,1H3,(H,27,30)(H,28,31)/t22-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 470 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CombiChem Inc.
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against procollagen C-terminal proteinase (PCP) in HT-1080 cells using synthetic peptide as substrate |
Bioorg Med Chem Lett 13: 2101-4 (2003)
BindingDB Entry DOI: 10.7270/Q2TD9WQS |
More data for this
Ligand-Target Pair | |
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