Found 356 hits with Last Name = 'kolodziej' and Initial = 'sa' 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 |
|---|
Ileal sodium/bile acid cotransporter
(Homo sapiens (Human)) | BDBM50140282
(1-{4-[4-((4R,5R)-3,3-Dibutyl-7-dimethylamino-4-hyd...)Show SMILES CCCCC1(CCCC)CS(=O)(=O)c2ccc(cc2[C@H]([C@H]1O)c1ccc(OCc2ccc(C[N+]34CCN(CC3)CC4)cc2)cc1)N(C)C Show InChI InChI=1S/C40H56N3O4S/c1-5-7-19-40(20-8-6-2)30-48(45,46)37-18-15-34(41(3)4)27-36(37)38(39(40)44)33-13-16-35(17-14-33)47-29-32-11-9-31(10-12-32)28-43-24-21-42(22-25-43)23-26-43/h9-18,27,38-39,44H,5-8,19-26,28-30H2,1-4H3/q+1/t38-,39-/m1/s1 | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.280 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
In vitro inhibition of ASBT mediated uptake of [14C]taurocholate (5 uM) in baby hamster cells expressing human IBAT |
J Med Chem 48: 5853-68 (2005)
Article DOI: 10.1021/jm0402162
BindingDB Entry DOI: 10.7270/Q22V2GW2 |
More data for this
Ligand-Target Pair | |
Ileal sodium/bile acid cotransporter
(Homo sapiens (Human)) | BDBM50172695
(CHEMBL370103 | {2-[3-((4R,5R)-3,3-Dibutyl-7-dimeth...)Show SMILES CCCCC1(CCCC)CS(=O)(=O)c2ccc(cc2[C@H]([C@H]1O)c1cccc(NCC(=O)NCC(O)=O)c1)N(C)C Show InChI InChI=1S/C30H43N3O6S/c1-5-7-14-30(15-8-6-2)20-40(38,39)25-13-12-23(33(3)4)17-24(25)28(29(30)37)21-10-9-11-22(16-21)31-18-26(34)32-19-27(35)36/h9-13,16-17,28-29,31,37H,5-8,14-15,18-20H2,1-4H3,(H,32,34)(H,35,36)/t28-,29-/m1/s1 | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
In vitro inhibition of ASBT mediated uptake of [14C]taurocholate (5 uM) in baby hamster cells expressing human IBAT |
J Med Chem 48: 5853-68 (2005)
Article DOI: 10.1021/jm0402162
BindingDB Entry DOI: 10.7270/Q22V2GW2 |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM11885
(CHEMBL1082381 | N-Hydroxy-4-{[4-(phenylthio)phenyl...)Show SMILES ONC(=O)C1(CCN(CC#C)CC1)S(=O)(=O)c1ccc(Sc2ccccc2)cc1 Show InChI InChI=1S/C21H22N2O4S2/c1-2-14-23-15-12-21(13-16-23,20(24)22-25)29(26,27)19-10-8-18(9-11-19)28-17-6-4-3-5-7-17/h1,3-11,25H,12-16H2,(H,22,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.330 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Research& Development
Curated by ChEMBL
| Assay Description
Inhibition of MMP2 |
Bioorg Med Chem Lett 20: 3557-60 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.130
BindingDB Entry DOI: 10.7270/Q2CR5TJM |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM11885
(CHEMBL1082381 | N-Hydroxy-4-{[4-(phenylthio)phenyl...)Show SMILES ONC(=O)C1(CCN(CC#C)CC1)S(=O)(=O)c1ccc(Sc2ccccc2)cc1 Show InChI InChI=1S/C21H22N2O4S2/c1-2-14-23-15-12-21(13-16-23,20(24)22-25)29(26,27)19-10-8-18(9-11-19)28-17-6-4-3-5-7-17/h1,3-11,25H,12-16H2,(H,22,24) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Research& Development
Curated by ChEMBL
| Assay Description
Inhibition of MMP13 |
Bioorg Med Chem Lett 20: 3557-60 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.130
BindingDB Entry DOI: 10.7270/Q2CR5TJM |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50320414
(1-cyclopropyl-N-hydroxy-4-(4-(4-(4-methoxyphenyl)p...)Show SMILES COc1ccc(cc1)N1CCN(CC1)c1ccc(cc1)S(=O)(=O)C1(CCN(CC1)C1CC1)C(=O)NO Show InChI InChI=1S/C26H34N4O5S/c1-35-23-8-4-21(5-9-23)29-16-18-30(19-17-29)22-6-10-24(11-7-22)36(33,34)26(25(31)27-32)12-14-28(15-13-26)20-2-3-20/h4-11,20,32H,2-3,12-19H2,1H3,(H,27,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.420 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Research& Development
Curated by ChEMBL
| Assay Description
Inhibition of MMP13 |
Bioorg Med Chem Lett 20: 3557-60 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.130
BindingDB Entry DOI: 10.7270/Q2CR5TJM |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(Homo sapiens (Human)) | BDBM50035820
(Ac-Trp-L-3-MPt(Pr)-Asp-Phe-NH2 | CHEMBL37830)Show SMILES CCCS[C@@H]1CCN([C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(C)=O Show InChI InChI=1S/C34H42N6O7S/c1-3-15-48-28-13-14-40(34(47)27(37-20(2)41)17-22-19-36-24-12-8-7-11-23(22)24)30(28)33(46)39-26(18-29(42)43)32(45)38-25(31(35)44)16-21-9-5-4-6-10-21/h4-12,19,25-28,30,36H,3,13-18H2,1-2H3,(H2,35,44)(H,37,41)(H,38,45)(H,39,46)(H,42,43)/t25-,26-,27-,28+,30+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.450 | n/a | n/a | n/a | n/a | n/a | n/a |
Washington University School of Medicine
Curated by ChEMBL
| Assay Description
Binding affinity towards Cholecystokinin type B receptor by displacement of [125I]-BH-CCK-8 from human jurkat cells |
J Med Chem 38: 137-49 (1995)
BindingDB Entry DOI: 10.7270/Q2QN65TS |
More data for this
Ligand-Target Pair | |
Ileal sodium/bile acid cotransporter
(Homo sapiens (Human)) | BDBM50172649
(1-{5-[4-((4R,5R)-3,3-Dibutyl-7-dimethylamino-4-hyd...)Show SMILES CCCCC1(CCCC)CS(=O)(=O)c2ccc(cc2[C@H]([C@H]1O)c1ccc(OCCCCC[N+]23CCN(CC2)CC3)cc1)N(C)C Show InChI InChI=1S/C37H58N3O4S/c1-5-7-18-37(19-8-6-2)29-45(42,43)34-17-14-31(38(3)4)28-33(34)35(36(37)41)30-12-15-32(16-13-30)44-27-11-9-10-23-40-24-20-39(21-25-40)22-26-40/h12-17,28,35-36,41H,5-11,18-27,29H2,1-4H3/q+1/t35-,36-/m1/s1 | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
In vitro inhibition of ASBT mediated uptake of [14C]taurocholate (5 uM) in baby hamster cells expressing human IBAT |
J Med Chem 48: 5853-68 (2005)
Article DOI: 10.1021/jm0402162
BindingDB Entry DOI: 10.7270/Q22V2GW2 |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50320412
(CHEMBL1084238 | N-hydroxy-4-(4-(4-(4-(trifluoromet...)Show SMILES ONC(=O)C1(CCOCC1)S(=O)(=O)c1ccc(cc1)N1CCN(CC1)c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C23H26F3N3O5S/c24-23(25,26)17-1-3-18(4-2-17)28-11-13-29(14-12-28)19-5-7-20(8-6-19)35(32,33)22(21(30)27-31)9-15-34-16-10-22/h1-8,31H,9-16H2,(H,27,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Research& Development
Curated by ChEMBL
| Assay Description
Inhibition of MMP13 |
Bioorg Med Chem Lett 20: 3557-60 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.130
BindingDB Entry DOI: 10.7270/Q2CR5TJM |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50320410
(CHEMBL1084208 | N-hydroxy-4-(4-(4-(4-methoxyphenyl...)Show SMILES COc1ccc(cc1)N1CCN(CC1)c1ccc(cc1)S(=O)(=O)C1(CCOCC1)C(=O)NO Show InChI InChI=1S/C23H29N3O6S/c1-31-20-6-2-18(3-7-20)25-12-14-26(15-13-25)19-4-8-21(9-5-19)33(29,30)23(22(27)24-28)10-16-32-17-11-23/h2-9,28H,10-17H2,1H3,(H,24,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.630 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Research& Development
Curated by ChEMBL
| Assay Description
Inhibition of MMP13 |
Bioorg Med Chem Lett 20: 3557-60 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.130
BindingDB Entry DOI: 10.7270/Q2CR5TJM |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50320393
(4-(4-(4-(4-chlorophenyl)piperidin-1-yl)phenylsulfo...)Show SMILES ONC(=O)C1(CCOCC1)S(=O)(=O)c1ccc(cc1)N1CCC(CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C23H27ClN2O5S/c24-19-3-1-17(2-4-19)18-9-13-26(14-10-18)20-5-7-21(8-6-20)32(29,30)23(22(27)25-28)11-15-31-16-12-23/h1-8,18,28H,9-16H2,(H,25,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Research& Development
Curated by ChEMBL
| Assay Description
Inhibition of MMP13 |
Bioorg Med Chem Lett 20: 3557-60 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.130
BindingDB Entry DOI: 10.7270/Q2CR5TJM |
More data for this
Ligand-Target Pair | |
Ileal sodium/bile acid cotransporter
(Homo sapiens (Human)) | BDBM50172702
(4-[4-((4R,5R)-3,3-Dibutyl-7-dimethylamino-4-hydrox...)Show SMILES CCCCC1(CCCC)CS(=O)(=O)c2ccc(cc2[C@H]([C@H]1O)c1ccc(OCc2cc[n+](C)cc2)cc1)N(C)C Show InChI InChI=1S/C33H45N2O4S/c1-6-8-18-33(19-9-7-2)24-40(37,38)30-15-12-27(34(3)4)22-29(30)31(32(33)36)26-10-13-28(14-11-26)39-23-25-16-20-35(5)21-17-25/h10-17,20-22,31-32,36H,6-9,18-19,23-24H2,1-5H3/q+1/t31-,32-/m1/s1 | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.75 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
In vitro inhibition of ASBT mediated uptake of [14C]taurocholate (5 uM) in baby hamster cells expressing human IBAT |
J Med Chem 48: 5853-68 (2005)
Article DOI: 10.1021/jm0402162
BindingDB Entry DOI: 10.7270/Q22V2GW2 |
More data for this
Ligand-Target Pair | |
Ileal sodium/bile acid cotransporter
(Homo sapiens (Human)) | BDBM50370667
(CHEMBL555246)Show SMILES CCCCC1(CCCC)CS(=O)(=O)c2ccc(cc2[C@H]([C@H]1O)c1cccc(NC(=O)CCCC[N+](CC)(CC)CC)c1)N(C)C |r| Show InChI InChI=1S/C37H59N3O4S/c1-8-13-23-37(24-14-9-2)28-45(43,44)33-22-21-31(39(6)7)27-32(33)35(36(37)42)29-18-17-19-30(26-29)38-34(41)20-15-16-25-40(10-3,11-4)12-5/h17-19,21-22,26-27,35-36,42H,8-16,20,23-25,28H2,1-7H3/p+1/t35-,36-/m1/s1 | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.760 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
In vitro inhibition of ASBT mediated uptake of [14C]taurocholate (5 uM) in baby hamster cells expressing human IBAT |
J Med Chem 48: 5853-68 (2005)
Article DOI: 10.1021/jm0402162
BindingDB Entry DOI: 10.7270/Q22V2GW2 |
More data for this
Ligand-Target Pair | |
Ileal sodium/bile acid cotransporter
(Homo sapiens (Human)) | BDBM50172709
(1-{4-[4-((4R,5R)-3,3-Dibutyl-7-dimethylamino-4-hyd...)Show SMILES CCCCC1(CCCC)CS(=O)(=O)c2ccc(cc2[C@H]([C@H]1O)c1ccc(OCCCC[N+]23CCN(CC2)CC3)cc1)N(C)C Show InChI InChI=1S/C36H56N3O4S/c1-5-7-17-36(18-8-6-2)28-44(41,42)33-16-13-30(37(3)4)27-32(33)34(35(36)40)29-11-14-31(15-12-29)43-26-10-9-22-39-23-19-38(20-24-39)21-25-39/h11-16,27,34-35,40H,5-10,17-26,28H2,1-4H3/q+1/t34-,35-/m1/s1 | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
In vitro inhibition of ASBT mediated uptake of [14C]taurocholate (5 uM) in baby hamster cells expressing human IBAT |
J Med Chem 48: 5853-68 (2005)
Article DOI: 10.1021/jm0402162
BindingDB Entry DOI: 10.7270/Q22V2GW2 |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50320413
(4-(4-(4-(4-chlorophenyl)piperazin-1-yl)phenylsulfo...)Show SMILES ONC(=O)C1(CCOCC1)S(=O)(=O)c1ccc(cc1)N1CCN(CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C22H26ClN3O5S/c23-17-1-3-18(4-2-17)25-11-13-26(14-12-25)19-5-7-20(8-6-19)32(29,30)22(21(27)24-28)9-15-31-16-10-22/h1-8,28H,9-16H2,(H,24,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Research& Development
Curated by ChEMBL
| Assay Description
Inhibition of MMP13 |
Bioorg Med Chem Lett 20: 3557-60 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.130
BindingDB Entry DOI: 10.7270/Q2CR5TJM |
More data for this
Ligand-Target Pair | |
Ileal sodium/bile acid cotransporter
(Homo sapiens (Human)) | BDBM50172668
(1-{4-[4-((4R,5R)-3,3-Dibutyl-7-dimethylamino-4-hyd...)Show SMILES CCCCC1(CCCC)CS(=O)(=O)c2ccc(cc2[C@H]([C@H]1O)c1ccc(OCc2ccc(C[n+]3ccccc3)cc2)cc1)N(C)C Show InChI InChI=1S/C39H49N2O4S/c1-5-7-22-39(23-8-6-2)29-46(43,44)36-21-18-33(40(3)4)26-35(36)37(38(39)42)32-16-19-34(20-17-32)45-28-31-14-12-30(13-15-31)27-41-24-10-9-11-25-41/h9-21,24-26,37-38,42H,5-8,22-23,27-29H2,1-4H3/q+1/t37-,38-/m1/s1 | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
In vitro inhibition of ASBT mediated uptake of [14C]taurocholate (5 uM) in baby hamster cells expressing human IBAT |
J Med Chem 48: 5853-68 (2005)
Article DOI: 10.1021/jm0402162
BindingDB Entry DOI: 10.7270/Q22V2GW2 |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM11885
(CHEMBL1082381 | N-Hydroxy-4-{[4-(phenylthio)phenyl...)Show SMILES ONC(=O)C1(CCN(CC#C)CC1)S(=O)(=O)c1ccc(Sc2ccccc2)cc1 Show InChI InChI=1S/C21H22N2O4S2/c1-2-14-23-15-12-21(13-16-23,20(24)22-25)29(26,27)19-10-8-18(9-11-19)28-17-6-4-3-5-7-17/h1,3-11,25H,12-16H2,(H,22,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Research& Development
Curated by ChEMBL
| Assay Description
Inhibition of MMP9 |
Bioorg Med Chem Lett 20: 3557-60 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.130
BindingDB Entry DOI: 10.7270/Q2CR5TJM |
More data for this
Ligand-Target Pair | |
Ileal sodium/bile acid cotransporter
(Homo sapiens (Human)) | BDBM50134416
(CHEMBL332974 | Trifluoro-acetate{4-[3-((8R,9R)-7,7...)Show SMILES CCCCC1(CCCC)NS(=O)(=O)c2ccc(cc2[C@H]([C@H]1O)c1cccc(NC(=O)CCCC[N+](CC)(CC)CC)c1)N(C)C Show InChI InChI=1S/C36H58N4O4S/c1-8-13-23-36(24-14-9-2)35(42)34(31-27-30(39(6)7)21-22-32(31)45(43,44)38-36)28-18-17-19-29(26-28)37-33(41)20-15-16-25-40(10-3,11-4)12-5/h17-19,21-22,26-27,34-35,38,42H,8-16,20,23-25H2,1-7H3/p+1/t34-,35-/m1/s1 | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against uptake of [14C]-taurocholate in baby hamster kidney cells transfected with cDNA from human Apical Sodium-Codepen... |
Bioorg Med Chem Lett 13: 3727-30 (2003)
BindingDB Entry DOI: 10.7270/Q2M044T4 |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50320405
(CHEMBL1085602 | N-hydroxy-4-(4-(4-phenylpiperazin-...)Show SMILES ONC(=O)C1(CCOCC1)S(=O)(=O)c1ccc(cc1)N1CCN(CC1)c1ccccc1 Show InChI InChI=1S/C22H27N3O5S/c26-21(23-27)22(10-16-30-17-11-22)31(28,29)20-8-6-19(7-9-20)25-14-12-24(13-15-25)18-4-2-1-3-5-18/h1-9,27H,10-17H2,(H,23,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Research& Development
Curated by ChEMBL
| Assay Description
Inhibition of MMP13 |
Bioorg Med Chem Lett 20: 3557-60 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.130
BindingDB Entry DOI: 10.7270/Q2CR5TJM |
More data for this
Ligand-Target Pair | |
Neutrophil collagenase
(Homo sapiens (Human)) | BDBM11885
(CHEMBL1082381 | N-Hydroxy-4-{[4-(phenylthio)phenyl...)Show SMILES ONC(=O)C1(CCN(CC#C)CC1)S(=O)(=O)c1ccc(Sc2ccccc2)cc1 Show InChI InChI=1S/C21H22N2O4S2/c1-2-14-23-15-12-21(13-16-23,20(24)22-25)29(26,27)19-10-8-18(9-11-19)28-17-6-4-3-5-7-17/h1,3-11,25H,12-16H2,(H,22,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Research& Development
Curated by ChEMBL
| Assay Description
Inhibition of MMP8 |
Bioorg Med Chem Lett 20: 3557-60 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.130
BindingDB Entry DOI: 10.7270/Q2CR5TJM |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(Homo sapiens (Human)) | BDBM50035832
(Ac-Trp-L-3-MPt(Et)-Asp-Phe-NH2 | CHEMBL35471)Show SMILES CCS[C@@H]1CCN([C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(C)=O Show InChI InChI=1S/C33H40N6O7S/c1-3-47-27-13-14-39(33(46)26(36-19(2)40)16-21-18-35-23-12-8-7-11-22(21)23)29(27)32(45)38-25(17-28(41)42)31(44)37-24(30(34)43)15-20-9-5-4-6-10-20/h4-12,18,24-27,29,35H,3,13-17H2,1-2H3,(H2,34,43)(H,36,40)(H,37,44)(H,38,45)(H,41,42)/t24-,25-,26-,27+,29+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Washington University School of Medicine
Curated by ChEMBL
| Assay Description
Binding affinity towards Cholecystokinin type B receptor by displacement of [125I]-BH-CCK-8 from human jurkat cells |
J Med Chem 38: 137-49 (1995)
BindingDB Entry DOI: 10.7270/Q2QN65TS |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50320411
(CHEMBL1084209 | N-hydroxy-4-(4-(4-p-tolylpiperazin...)Show SMILES Cc1ccc(cc1)N1CCN(CC1)c1ccc(cc1)S(=O)(=O)C1(CCOCC1)C(=O)NO Show InChI InChI=1S/C23H29N3O5S/c1-18-2-4-19(5-3-18)25-12-14-26(15-13-25)20-6-8-21(9-7-20)32(29,30)23(22(27)24-28)10-16-31-17-11-23/h2-9,28H,10-17H2,1H3,(H,24,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Research& Development
Curated by ChEMBL
| Assay Description
Inhibition of MMP13 |
Bioorg Med Chem Lett 20: 3557-60 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.130
BindingDB Entry DOI: 10.7270/Q2CR5TJM |
More data for this
Ligand-Target Pair | |
Ileal sodium/bile acid cotransporter
(Homo sapiens (Human)) | BDBM50370669
(CHEMBL555022)Show SMILES CCCCC1(CCCC)CS(=O)(=O)c2ccc(cc2[C@H]([C@H]1O)c1cccc(OCCCCC[N+](CC)(CC)CC)c1)N(C)C |r| Show InChI InChI=1S/C37H61N2O4S/c1-8-13-23-37(24-14-9-2)29-44(41,42)34-22-21-31(38(6)7)28-33(34)35(36(37)40)30-19-18-20-32(27-30)43-26-17-15-16-25-39(10-3,11-4)12-5/h18-22,27-28,35-36,40H,8-17,23-26,29H2,1-7H3/q+1/t35-,36-/m1/s1 | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
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PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
In vitro inhibition of ASBT mediated uptake of [14C]taurocholate (5 uM) in baby hamster cells expressing human IBAT |
J Med Chem 48: 5853-68 (2005)
Article DOI: 10.1021/jm0402162
BindingDB Entry DOI: 10.7270/Q22V2GW2 |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50320393
(4-(4-(4-(4-chlorophenyl)piperidin-1-yl)phenylsulfo...)Show SMILES ONC(=O)C1(CCOCC1)S(=O)(=O)c1ccc(cc1)N1CCC(CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C23H27ClN2O5S/c24-19-3-1-17(2-4-19)18-9-13-26(14-10-18)20-5-7-21(8-6-20)32(29,30)23(22(27)25-28)11-15-31-16-12-23/h1-8,18,28H,9-16H2,(H,25,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Research& Development
Curated by ChEMBL
| Assay Description
Inhibition of MMP2 |
Bioorg Med Chem Lett 20: 3557-60 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.130
BindingDB Entry DOI: 10.7270/Q2CR5TJM |
More data for this
Ligand-Target Pair | |
Ileal sodium/bile acid cotransporter
(Homo sapiens (Human)) | BDBM50172681
((Carboxymethyl-{4-[4-((4R,5R)-3,3-dibutyl-7-dimeth...)Show SMILES CCCCC1(CCCC)CS(=O)(=O)c2ccc(cc2[C@H]([C@H]1O)c1ccc(OCc2ccc(CN(CC(O)=O)CC(O)=O)cc2)cc1)N(C)C Show InChI InChI=1S/C38H50N2O8S/c1-5-7-19-38(20-8-6-2)26-49(46,47)33-18-15-30(39(3)4)21-32(33)36(37(38)45)29-13-16-31(17-14-29)48-25-28-11-9-27(10-12-28)22-40(23-34(41)42)24-35(43)44/h9-18,21,36-37,45H,5-8,19-20,22-26H2,1-4H3,(H,41,42)(H,43,44)/t36-,37-/m1/s1 | KEGG
UniProtKB/SwissProt
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UniChem
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PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
In vitro inhibition of ASBT mediated uptake of [14C]taurocholate (5 uM) in baby hamster cells expressing human IBAT |
J Med Chem 48: 5853-68 (2005)
Article DOI: 10.1021/jm0402162
BindingDB Entry DOI: 10.7270/Q22V2GW2 |
More data for this
Ligand-Target Pair | |
Ileal sodium/bile acid cotransporter
(Homo sapiens (Human)) | BDBM50172652
((4R,5R)-5-(3-Amino-phenyl)-3,3-dibutyl-7-dimethyla...)Show SMILES CCCCC1(CCCC)CS(=O)(=O)c2ccc(cc2[C@H]([C@H]1O)c1cccc(N)c1)N(C)C Show InChI InChI=1S/C26H38N2O3S/c1-5-7-14-26(15-8-6-2)18-32(30,31)23-13-12-21(28(3)4)17-22(23)24(25(26)29)19-10-9-11-20(27)16-19/h9-13,16-17,24-25,29H,5-8,14-15,18,27H2,1-4H3/t24-,25-/m1/s1 | KEGG
UniProtKB/SwissProt
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GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
In vitro inhibition of ASBT mediated uptake of [14C]taurocholate (5 uM) in baby hamster cells expressing human IBAT |
J Med Chem 48: 5853-68 (2005)
Article DOI: 10.1021/jm0402162
BindingDB Entry DOI: 10.7270/Q22V2GW2 |
More data for this
Ligand-Target Pair | |
Ileal sodium/bile acid cotransporter
(Homo sapiens (Human)) | BDBM50172608
((4R,5R)-3,3-Dibutyl-7-dimethylamino-9-methoxy-5-(4...)Show SMILES CCCCC1(CCCC)CS(=O)(=O)c2c(OC)cc(cc2[C@H]([C@H]1O)c1ccc(OC)cc1)N(C)C Show InChI InChI=1S/C28H41NO5S/c1-7-9-15-28(16-10-8-2)19-35(31,32)26-23(17-21(29(3)4)18-24(26)34-6)25(27(28)30)20-11-13-22(33-5)14-12-20/h11-14,17-18,25,27,30H,7-10,15-16,19H2,1-6H3/t25-,27-/m1/s1 | KEGG
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| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacia
Curated by ChEMBL
| Assay Description
In vitro inhibition of ASBT mediated uptake of [14C]taurocholate (5 uM) in Baby hamster cells expressing human IBAT |
J Med Chem 48: 5837-52 (2005)
Article DOI: 10.1021/jm040215+
BindingDB Entry DOI: 10.7270/Q26M37MS |
More data for this
Ligand-Target Pair | |
Ileal sodium/bile acid cotransporter
(Homo sapiens (Human)) | BDBM50172667
(4-[3-((4R,5R)-3,3-Dibutyl-7-dimethylamino-4-hydrox...)Show SMILES CCCCC1(CCCC)CS(=O)(=O)c2ccc(cc2C(C1O)c1cccc(c1)[NH+]=c1ccn(C)cc1)N(C)C |(10.23,3.17,;10.24,1.63,;8.91,.86,;8.92,-.68,;7.59,-1.45,;8.92,-2.22,;10.25,-1.45,;11.58,-2.22,;12.91,-1.45,;6.91,-.05,;5.4,.26,;4.3,1.35,;6.16,1.6,;4.18,-.73,;2.85,.04,;1.52,-.73,;1.52,-2.27,;2.85,-3.04,;4.2,-2.27,;5.42,-3.23,;6.94,-2.88,;8.03,-3.97,;5.09,-4.74,;3.62,-5.19,;3.3,-6.7,;4.43,-7.73,;5.91,-7.26,;6.23,-5.76,;7.05,-8.29,;8.59,-8.29,;9.36,-9.62,;10.9,-9.62,;11.67,-8.29,;13.68,-8.27,;10.88,-6.96,;9.34,-6.96,;.19,-3.04,;-1.16,-2.27,;.17,-4.58,)| Show InChI InChI=1S/C32H43N3O3S/c1-6-8-17-32(18-9-7-2)23-39(37,38)29-14-13-27(34(3)4)22-28(29)30(31(32)36)24-11-10-12-26(21-24)33-25-15-19-35(5)20-16-25/h10-16,19-22,30-31,36H,6-9,17-18,23H2,1-5H3/p+1 | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
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PC sid
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| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
In vitro inhibition of ASBT mediated uptake of [14C]taurocholate (5 uM) in baby hamster cells expressing human IBAT |
J Med Chem 48: 5853-68 (2005)
Article DOI: 10.1021/jm0402162
BindingDB Entry DOI: 10.7270/Q22V2GW2 |
More data for this
Ligand-Target Pair | |
Ileal sodium/bile acid cotransporter
(Homo sapiens (Human)) | BDBM50370670
(CHEMBL540126)Show SMILES CCCCC1(CCCC)CS(=O)(=O)c2ccc(cc2[C@H]([C@H]1O)c1ccc(OCCCCC[N+](CC)(CC)CC)cc1)N(C)C |r| Show InChI InChI=1S/C37H61N2O4S/c1-8-13-24-37(25-14-9-2)29-44(41,42)34-23-20-31(38(6)7)28-33(34)35(36(37)40)30-18-21-32(22-19-30)43-27-17-15-16-26-39(10-3,11-4)12-5/h18-23,28,35-36,40H,8-17,24-27,29H2,1-7H3/q+1/t35-,36-/m1/s1 | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
In vitro inhibition of ASBT mediated uptake of [14C]taurocholate (5 uM) in baby hamster cells expressing human IBAT |
J Med Chem 48: 5853-68 (2005)
Article DOI: 10.1021/jm0402162
BindingDB Entry DOI: 10.7270/Q22V2GW2 |
More data for this
Ligand-Target Pair | |
Ileal sodium/bile acid cotransporter
(Homo sapiens (Human)) | BDBM50172661
((4R,5R)-3,3-Dibutyl-7-dimethylamino-5-(4-hydroxy-p...)Show SMILES CCCCC1(CCCC)CS(=O)(=O)c2ccc(cc2[C@H]([C@H]1O)c1ccc(O)cc1)N(C)C Show InChI InChI=1S/C26H37NO4S/c1-5-7-15-26(16-8-6-2)18-32(30,31)23-14-11-20(27(3)4)17-22(23)24(25(26)29)19-9-12-21(28)13-10-19/h9-14,17,24-25,28-29H,5-8,15-16,18H2,1-4H3/t24-,25-/m1/s1 | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
In vitro inhibition of ASBT mediated uptake of [14C]taurocholate (5 uM) in baby hamster cells expressing human IBAT |
J Med Chem 48: 5853-68 (2005)
Article DOI: 10.1021/jm0402162
BindingDB Entry DOI: 10.7270/Q22V2GW2 |
More data for this
Ligand-Target Pair | |
Ileal sodium/bile acid cotransporter
(Homo sapiens (Human)) | BDBM50172690
((Carboxymethyl-{5-[4-((4R,5R)-3,3-dibutyl-7-dimeth...)Show SMILES CCCCC1(CCCC)CS(=O)(=O)c2ccc(cc2[C@H]([C@H]1O)c1ccc(OCCCCCN(CC(O)=O)CC(O)=O)cc1)N(C)C Show InChI InChI=1S/C35H52N2O8S/c1-5-7-18-35(19-8-6-2)25-46(43,44)30-17-14-27(36(3)4)22-29(30)33(34(35)42)26-12-15-28(16-13-26)45-21-11-9-10-20-37(23-31(38)39)24-32(40)41/h12-17,22,33-34,42H,5-11,18-21,23-25H2,1-4H3,(H,38,39)(H,40,41)/t33-,34-/m1/s1 | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
In vitro inhibition of ASBT mediated uptake of [14C]taurocholate (5 uM) in baby hamster cells expressing human IBAT |
J Med Chem 48: 5853-68 (2005)
Article DOI: 10.1021/jm0402162
BindingDB Entry DOI: 10.7270/Q22V2GW2 |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50320390
(1-cyclopropyl-N-hydroxy-4-(4-(4-(4-(trifluoromethy...)Show SMILES ONC(=O)C1(CCN(CC1)C1CC1)S(=O)(=O)c1ccc(cc1)N1CCN(CC1)c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C26H31F3N4O4S/c27-26(28,29)19-1-3-20(4-2-19)32-15-17-33(18-16-32)22-7-9-23(10-8-22)38(36,37)25(24(34)30-35)11-13-31(14-12-25)21-5-6-21/h1-4,7-10,21,35H,5-6,11-18H2,(H,30,34) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Research& Development
Curated by ChEMBL
| Assay Description
Inhibition of MMP13 |
Bioorg Med Chem Lett 20: 3557-60 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.130
BindingDB Entry DOI: 10.7270/Q2CR5TJM |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50320406
(4-(4-(4-(2-fluorophenyl)piperazin-1-yl)phenylsulfo...)Show SMILES ONC(=O)C1(CCOCC1)S(=O)(=O)c1ccc(cc1)N1CCN(CC1)c1ccccc1F Show InChI InChI=1S/C22H26FN3O5S/c23-19-3-1-2-4-20(19)26-13-11-25(12-14-26)17-5-7-18(8-6-17)32(29,30)22(21(27)24-28)9-15-31-16-10-22/h1-8,28H,9-16H2,(H,24,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Research& Development
Curated by ChEMBL
| Assay Description
Inhibition of MMP13 |
Bioorg Med Chem Lett 20: 3557-60 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.130
BindingDB Entry DOI: 10.7270/Q2CR5TJM |
More data for this
Ligand-Target Pair | |
Ileal sodium/bile acid cotransporter
(Homo sapiens (Human)) | BDBM50134424
(CHEMBL332973 | [2-(2-{2-[4-((8R,9R)-7,7-Dibutyl-2-...)Show SMILES CCCCC1(CCCC)NS(=O)(=O)c2ccc(cc2[C@H]([C@H]1O)c1ccc(OCCOCCOCC[N+](CC)(CC)CC)cc1)N(C)C Show InChI InChI=1S/C37H62N3O6S/c1-8-13-21-37(22-14-9-2)36(41)35(33-29-31(39(6)7)17-20-34(33)47(42,43)38-37)30-15-18-32(19-16-30)46-28-27-45-26-25-44-24-23-40(10-3,11-4)12-5/h15-20,29,35-36,38,41H,8-14,21-28H2,1-7H3/q+1/t35-,36-/m1/s1 | KEGG
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| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against uptake of [14C]-taurocholate in baby hamster kidney cells transfected with cDNA from human Apical Sodium-Codepen... |
Bioorg Med Chem Lett 13: 3727-30 (2003)
BindingDB Entry DOI: 10.7270/Q2M044T4 |
More data for this
Ligand-Target Pair | |
Ileal sodium/bile acid cotransporter
(Homo sapiens (Human)) | BDBM50370665
(CHEMBL555024)Show SMILES CCCCC1(CCCC)CS(=O)(=O)c2ccc(cc2[C@H]([C@H]1O)c1ccc(OCCOCCOCC[N+](CC)(CC)CC)cc1)N(C)C |r| Show InChI InChI=1S/C38H63N2O6S/c1-8-13-21-38(22-14-9-2)30-47(42,43)35-20-17-32(39(6)7)29-34(35)36(37(38)41)31-15-18-33(19-16-31)46-28-27-45-26-25-44-24-23-40(10-3,11-4)12-5/h15-20,29,36-37,41H,8-14,21-28,30H2,1-7H3/q+1/t36-,37-/m1/s1 | KEGG
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| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacia
Curated by ChEMBL
| Assay Description
In vitro inhibition of ASBT mediated uptake of [14C]taurocholate (5 uM) in Baby hamster cells expressing human IBAT |
J Med Chem 48: 5837-52 (2005)
Article DOI: 10.1021/jm040215+
BindingDB Entry DOI: 10.7270/Q26M37MS |
More data for this
Ligand-Target Pair | |
Ileal sodium/bile acid cotransporter
(Homo sapiens (Human)) | BDBM50172675
(1-[2-(2-{2-[4-((4R,5R)-3,3-Dibutyl-7-dimethylamino...)Show SMILES CCCCC1(CCCC)CS(=O)(=O)c2ccc(cc2[C@H]([C@H]1O)c1ccc(OCCOCCOCC[NH+]2CCCN(C)CCN(C)CCCN(C)CC2)c(F)c1)N(C)C Show InChI InChI=1S/C45H76FN5O6S/c1-8-10-18-45(19-11-9-2)36-58(53,54)42-17-15-38(47(3)4)35-39(42)43(44(45)52)37-14-16-41(40(46)34-37)57-33-32-56-31-30-55-29-28-51-23-13-22-49(6)25-24-48(5)20-12-21-50(7)26-27-51/h14-17,34-35,43-44,52H,8-13,18-33,36H2,1-7H3/p+1/t43-,44-/m1/s1 | KEGG
UniProtKB/SwissProt
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| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
In vitro inhibition of ASBT mediated uptake of [14C]taurocholate (5 uM) in baby hamster cells expressing human IBAT |
J Med Chem 48: 5853-68 (2005)
Article DOI: 10.1021/jm0402162
BindingDB Entry DOI: 10.7270/Q22V2GW2 |
More data for this
Ligand-Target Pair | |
Ileal sodium/bile acid cotransporter
(Homo sapiens (Human)) | BDBM50370665
(CHEMBL555024)Show SMILES CCCCC1(CCCC)CS(=O)(=O)c2ccc(cc2[C@H]([C@H]1O)c1ccc(OCCOCCOCC[N+](CC)(CC)CC)cc1)N(C)C |r| Show InChI InChI=1S/C38H63N2O6S/c1-8-13-21-38(22-14-9-2)30-47(42,43)35-20-17-32(39(6)7)29-34(35)36(37(38)41)31-15-18-33(19-16-31)46-28-27-45-26-25-44-24-23-40(10-3,11-4)12-5/h15-20,29,36-37,41H,8-14,21-28,30H2,1-7H3/q+1/t36-,37-/m1/s1 | KEGG
UniProtKB/SwissProt
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| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
In vitro inhibition of ASBT mediated uptake of [14C]taurocholate (5 uM) in baby hamster cells expressing human IBAT |
J Med Chem 48: 5853-68 (2005)
Article DOI: 10.1021/jm0402162
BindingDB Entry DOI: 10.7270/Q22V2GW2 |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(Homo sapiens (Human)) | BDBM50035825
(Ac-Trp-L-3-MPt(Pr)-Asp-Phe-NH2 | CHEMBL34554)Show SMILES CCCS[C@H]1CCN([C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(C)=O Show InChI InChI=1S/C34H42N6O7S/c1-3-15-48-28-13-14-40(34(47)27(37-20(2)41)17-22-19-36-24-12-8-7-11-23(22)24)30(28)33(46)39-26(18-29(42)43)32(45)38-25(31(35)44)16-21-9-5-4-6-10-21/h4-12,19,25-28,30,36H,3,13-18H2,1-2H3,(H2,35,44)(H,37,41)(H,38,45)(H,39,46)(H,42,43)/t25-,26-,27-,28-,30+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
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PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 3.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Washington University School of Medicine
Curated by ChEMBL
| Assay Description
Binding affinity towards Cholecystokinin type B receptor by displacement of [125I]-BH-CCK-8 from human jurkat cells |
J Med Chem 38: 137-49 (1995)
BindingDB Entry DOI: 10.7270/Q2QN65TS |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50320389
(1-cyclopropyl-N-hydroxy-4-(4-(4-phenylpiperazin-1-...)Show SMILES ONC(=O)C1(CCN(CC1)C1CC1)S(=O)(=O)c1ccc(cc1)N1CCN(CC1)c1ccccc1 Show InChI InChI=1S/C25H32N4O4S/c30-24(26-31)25(12-14-27(15-13-25)21-6-7-21)34(32,33)23-10-8-22(9-11-23)29-18-16-28(17-19-29)20-4-2-1-3-5-20/h1-5,8-11,21,31H,6-7,12-19H2,(H,26,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Research& Development
Curated by ChEMBL
| Assay Description
Inhibition of MMP13 |
Bioorg Med Chem Lett 20: 3557-60 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.130
BindingDB Entry DOI: 10.7270/Q2CR5TJM |
More data for this
Ligand-Target Pair | |
Ileal sodium/bile acid cotransporter
(Homo sapiens (Human)) | BDBM50172700
((4R,5R)-3,3-Dibutyl-7-dimethylamino-5-(3-fluoro-4-...)Show SMILES CCCCC1(CCCC)CS(=O)(=O)c2ccc(cc2[C@H]([C@H]1O)c1ccc(OC)c(F)c1)N(C)C Show InChI InChI=1S/C27H38FNO4S/c1-6-8-14-27(15-9-7-2)18-34(31,32)24-13-11-20(29(3)4)17-21(24)25(26(27)30)19-10-12-23(33-5)22(28)16-19/h10-13,16-17,25-26,30H,6-9,14-15,18H2,1-5H3/t25-,26-/m1/s1 | KEGG
UniProtKB/SwissProt
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| CHEMBL
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PC sid
UniChem
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PubMed
| n/a | n/a | 3.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
In vitro inhibition of ASBT mediated uptake of [14C]taurocholate (5 uM) in baby hamster cells expressing human IBAT |
J Med Chem 48: 5853-68 (2005)
Article DOI: 10.1021/jm0402162
BindingDB Entry DOI: 10.7270/Q22V2GW2 |
More data for this
Ligand-Target Pair | |
Ileal sodium/bile acid cotransporter
(Homo sapiens (Human)) | BDBM50172680
(CHEMBL426152 | [3-((2R,3R)-3,3-Dibutyl-7-dimethyla...)Show SMILES CCCCC1(CCCC)CS(=O)(=O)c2ccc(cc2[C@H]([C@H]1O)c1cccc(CS(O)(=O)=O)c1)N(C)C Show InChI InChI=1S/C27H39NO6S2/c1-5-7-14-27(15-8-6-2)19-35(30,31)24-13-12-22(28(3)4)17-23(24)25(26(27)29)21-11-9-10-20(16-21)18-36(32,33)34/h9-13,16-17,25-26,29H,5-8,14-15,18-19H2,1-4H3,(H,32,33,34)/t25-,26-/m1/s1 | KEGG
UniProtKB/SwissProt
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| CHEMBL
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PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 3.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
In vitro inhibition of ASBT mediated uptake of [14C]taurocholate (5 uM) in baby hamster cells expressing human IBAT |
J Med Chem 48: 5853-68 (2005)
Article DOI: 10.1021/jm0402162
BindingDB Entry DOI: 10.7270/Q22V2GW2 |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50320413
(4-(4-(4-(4-chlorophenyl)piperazin-1-yl)phenylsulfo...)Show SMILES ONC(=O)C1(CCOCC1)S(=O)(=O)c1ccc(cc1)N1CCN(CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C22H26ClN3O5S/c23-17-1-3-18(4-2-17)25-11-13-26(14-12-25)19-5-7-20(8-6-19)32(29,30)22(21(27)24-28)9-15-31-16-10-22/h1-8,28H,9-16H2,(H,24,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Research& Development
Curated by ChEMBL
| Assay Description
Inhibition of MMP2 |
Bioorg Med Chem Lett 20: 3557-60 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.130
BindingDB Entry DOI: 10.7270/Q2CR5TJM |
More data for this
Ligand-Target Pair | |
Ileal sodium/bile acid cotransporter
(Homo sapiens (Human)) | BDBM50172650
((Carboxymethyl-{6-[4-((4R,5R)-3,3-dibutyl-7-dimeth...)Show SMILES CCCCC1(CCCC)CS(=O)(=O)c2ccc(cc2[C@H]([C@H]1O)c1ccc(OCc2cccc(CN(CC(O)=O)CC(O)=O)n2)cc1)N(C)C Show InChI InChI=1S/C37H49N3O8S/c1-5-7-18-37(19-8-6-2)25-49(46,47)32-17-14-29(39(3)4)20-31(32)35(36(37)45)26-12-15-30(16-13-26)48-24-28-11-9-10-27(38-28)21-40(22-33(41)42)23-34(43)44/h9-17,20,35-36,45H,5-8,18-19,21-25H2,1-4H3,(H,41,42)(H,43,44)/t35-,36-/m1/s1 | KEGG
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| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
In vitro inhibition of ASBT mediated uptake of [14C]taurocholate (5 uM) in baby hamster cells expressing human IBAT |
J Med Chem 48: 5853-68 (2005)
Article DOI: 10.1021/jm0402162
BindingDB Entry DOI: 10.7270/Q22V2GW2 |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50320443
(4-(4-(4-(4-(2,3-dimethylphenyl)piperazine-1-carbon...)Show SMILES Cc1cccc(N2CCN(CC2)C(=O)C2CCN(CC2)c2ccc(cc2)S(=O)(=O)C2(CCOCC2)C(=O)NO)c1C Show InChI InChI=1S/C30H40N4O6S/c1-22-4-3-5-27(23(22)2)33-16-18-34(19-17-33)28(35)24-10-14-32(15-11-24)25-6-8-26(9-7-25)41(38,39)30(29(36)31-37)12-20-40-21-13-30/h3-9,24,37H,10-21H2,1-2H3,(H,31,36) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Research& Development
Curated by ChEMBL
| Assay Description
Inhibition of MMP13 |
Bioorg Med Chem Lett 20: 3561-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.111
BindingDB Entry DOI: 10.7270/Q28052S4 |
More data for this
Ligand-Target Pair | |
Ileal sodium/bile acid cotransporter
(Homo sapiens (Human)) | BDBM50172653
(1-{3-[4-((4R,5R)-3,3-Dibutyl-7-dimethylamino-4-hyd...)Show SMILES CCCCC1(CCCC)CS(=O)(=O)c2ccc(cc2[C@H]([C@H]1O)c1ccc(OCCC[N+]23CCN(CC2)CC3)cc1)N(C)C Show InChI InChI=1S/C35H54N3O4S/c1-5-7-16-35(17-8-6-2)27-43(40,41)32-15-12-29(36(3)4)26-31(32)33(34(35)39)28-10-13-30(14-11-28)42-25-9-21-38-22-18-37(19-23-38)20-24-38/h10-15,26,33-34,39H,5-9,16-25,27H2,1-4H3/q+1/t33-,34-/m1/s1 | KEGG
UniProtKB/SwissProt
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| CHEMBL
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| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
In vitro inhibition of ASBT mediated uptake of [14C]taurocholate (5 uM) in baby hamster cells expressing human IBAT |
J Med Chem 48: 5853-68 (2005)
Article DOI: 10.1021/jm0402162
BindingDB Entry DOI: 10.7270/Q22V2GW2 |
More data for this
Ligand-Target Pair | |
Ileal sodium/bile acid cotransporter
(Homo sapiens (Human)) | BDBM50172706
(1-[2-(2-{2-[4-((4R,5R)-3,3-Dibutyl-7-dimethylamino...)Show SMILES CCCCC1(CCCC)CS(=O)(=O)c2ccc(cc2[C@H]([C@H]1O)c1ccc(OCCOCCOCC[N+]23CCN(CC2)CC3)cc1)N(C)C Show InChI InChI=1S/C38H60N3O6S/c1-5-7-15-38(16-8-6-2)30-48(43,44)35-14-11-32(39(3)4)29-34(35)36(37(38)42)31-9-12-33(13-10-31)47-28-27-46-26-25-45-24-23-41-20-17-40(18-21-41)19-22-41/h9-14,29,36-37,42H,5-8,15-28,30H2,1-4H3/q+1/t36-,37-/m1/s1 | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
In vitro inhibition of ASBT mediated uptake of [14C]taurocholate (5 uM) in baby hamster cells expressing human IBAT |
J Med Chem 48: 5853-68 (2005)
Article DOI: 10.1021/jm0402162
BindingDB Entry DOI: 10.7270/Q22V2GW2 |
More data for this
Ligand-Target Pair | |
Ileal sodium/bile acid cotransporter
(Homo sapiens (Human)) | BDBM50172688
(CHEMBL194420 | [2-(2-{2-[4-((4R,5R)-3,3-Dibutyl-7-...)Show SMILES CCCCC1(CCCC)CS(=O)(=O)c2ccc(cc2[C@H]([C@H]1O)c1ccc(OCCOCCOCC[N+](C)(C)C)cc1)N(C)C Show InChI InChI=1S/C35H57N2O6S/c1-8-10-18-35(19-11-9-2)27-44(39,40)32-17-14-29(36(3)4)26-31(32)33(34(35)38)28-12-15-30(16-13-28)43-25-24-42-23-22-41-21-20-37(5,6)7/h12-17,26,33-34,38H,8-11,18-25,27H2,1-7H3/q+1/t33-,34-/m1/s1 | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
In vitro inhibition of ASBT mediated uptake of [14C]taurocholate (5 uM) in baby hamster cells expressing human IBAT |
J Med Chem 48: 5853-68 (2005)
Article DOI: 10.1021/jm0402162
BindingDB Entry DOI: 10.7270/Q22V2GW2 |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50320424
(4-(4-(4-(3,5-dimethylpiperazine-1-carbonyl)piperid...)Show SMILES CC1CN(CC(C)N1)C(=O)C1CCN(CC1)c1ccc(cc1)S(=O)(=O)C1(CCOCC1)C(=O)NO Show InChI InChI=1S/C24H36N4O6S/c1-17-15-28(16-18(2)25-17)22(29)19-7-11-27(12-8-19)20-3-5-21(6-4-20)35(32,33)24(23(30)26-31)9-13-34-14-10-24/h3-6,17-19,25,31H,7-16H2,1-2H3,(H,26,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Research& Development
Curated by ChEMBL
| Assay Description
Inhibition of MMP13 |
Bioorg Med Chem Lett 20: 3561-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.111
BindingDB Entry DOI: 10.7270/Q28052S4 |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50320391
(CHEMBL1083932 | N-hydroxy-4-(4-(4-phenylpiperidin-...)Show SMILES ONC(=O)C1(CCOCC1)S(=O)(=O)c1ccc(cc1)N1CCC(CC1)c1ccccc1 Show InChI InChI=1S/C23H28N2O5S/c26-22(24-27)23(12-16-30-17-13-23)31(28,29)21-8-6-20(7-9-21)25-14-10-19(11-15-25)18-4-2-1-3-5-18/h1-9,19,27H,10-17H2,(H,24,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 4.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Research& Development
Curated by ChEMBL
| Assay Description
Inhibition of MMP2 |
Bioorg Med Chem Lett 20: 3557-60 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.130
BindingDB Entry DOI: 10.7270/Q2CR5TJM |
More data for this
Ligand-Target Pair | |
Ileal sodium/bile acid cotransporter
(Homo sapiens (Human)) | BDBM50172671
((4R,5R)-3,3-Dibutyl-7-dimethylamino-5-(3-hydroxyme...)Show SMILES CCCCC1(CCCC)CS(=O)(=O)c2ccc(cc2[C@H]([C@H]1O)c1cccc(CO)c1)N(C)C Show InChI InChI=1S/C27H39NO4S/c1-5-7-14-27(15-8-6-2)19-33(31,32)24-13-12-22(28(3)4)17-23(24)25(26(27)30)21-11-9-10-20(16-21)18-29/h9-13,16-17,25-26,29-30H,5-8,14-15,18-19H2,1-4H3/t25-,26-/m1/s1 | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
In vitro inhibition of ASBT mediated uptake of [14C]taurocholate (5 uM) in baby hamster cells expressing human IBAT |
J Med Chem 48: 5853-68 (2005)
Article DOI: 10.1021/jm0402162
BindingDB Entry DOI: 10.7270/Q22V2GW2 |
More data for this
Ligand-Target Pair | |
Ileal sodium/bile acid cotransporter
(Homo sapiens (Human)) | BDBM50172631
((3S,4R,5R)-3-Butyl-7-dimethylamino-3-ethyl-1,1-dio...)Show SMILES CCCC[C@]1(CC)CS(=O)(=O)c2ccc(cc2[C@H]([C@H]1O)c1ccccc1)N(C)C Show InChI InChI=1S/C24H33NO3S/c1-5-7-15-24(6-2)17-29(27,28)21-14-13-19(25(3)4)16-20(21)22(23(24)26)18-11-9-8-10-12-18/h8-14,16,22-23,26H,5-7,15,17H2,1-4H3/t22-,23-,24-/m1/s1 | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacia
Curated by ChEMBL
| Assay Description
In vitro inhibition of ASBT mediated uptake of [14C]taurocholate (5 uM) in Baby hamster cells expressing human IBAT |
J Med Chem 48: 5837-52 (2005)
Article DOI: 10.1021/jm040215+
BindingDB Entry DOI: 10.7270/Q26M37MS |
More data for this
Ligand-Target Pair | |
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