Found 6 hits with Last Name = 'benndorf' and Initial = 'ra' 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 |
|---|
Solute carrier organic anion transporter family member 1B3
(Homo sapiens (Human)) | BDBM50542676
(CHEMBL4633668)Show SMILES CO[C@@H](Cc1ccccc1)[C@@H](C)\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C52H72N10O13/c1-28(25-29(2)41(75-8)27-34-13-10-9-11-14-34)16-21-37-30(3)44(65)59-39(50(71)72)22-23-42(64)62(7)33(6)47(68)56-32(5)46(67)60-40(26-35-17-19-36(63)20-18-35)49(70)61-43(51(73)74)31(4)45(66)58-38(48(69)57-37)15-12-24-55-52(53)54/h9-11,13-14,16-21,25,29-32,37-41,43,63H,6,12,15,22-24,26-27H2,1-5,7-8H3,(H,56,68)(H,57,69)(H,58,66)(H,59,65)(H,60,67)(H,61,70)(H,71,72)(H,73,74)(H4,53,54,55)/b21-16+,28-25+/t29-,30-,31-,32+,37-,38-,39+,40-,41-,43+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 3 | n/a | n/a | n/a | n/a |
University of Halle-Wittenberg
Curated by ChEMBL
| Assay Description
Substrate activity at OATP1B3 (unknown origin) expressed in HEK293 cells assessed as cytotoxicity incubated for 48 hrs by sulforhodamine B assay |
J Nat Prod 83: 1960-1970 (2020)
Article DOI: 10.1021/acs.jnatprod.0c00251
BindingDB Entry DOI: 10.7270/Q23R0XF4 |
More data for this
Ligand-Target Pair | |
Solute carrier organic anion transporter family member 1B3
(Homo sapiens (Human)) | BDBM50542677
(CHEMBL4637446)Show SMILES CO[C@@H](Cc1ccccc1)[C@@H](C)\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](Cc2ccc(OCC#C)cc2)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C55H74N10O13/c1-10-27-78-39-21-19-38(20-22-39)29-43-52(72)64-46(54(75)76)34(5)48(68)61-41(17-14-26-58-55(56)57)51(71)60-40(23-18-31(2)28-32(3)44(77-9)30-37-15-12-11-13-16-37)33(4)47(67)62-42(53(73)74)24-25-45(66)65(8)36(7)50(70)59-35(6)49(69)63-43/h1,11-13,15-16,18-23,28,32-35,40-44,46H,7,14,17,24-27,29-30H2,2-6,8-9H3,(H,59,70)(H,60,71)(H,61,68)(H,62,67)(H,63,69)(H,64,72)(H,73,74)(H,75,76)(H4,56,57,58)/b23-18+,31-28+/t32-,33-,34-,35+,40-,41-,42+,43-,44-,46+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 2.40 | n/a | n/a | n/a | n/a |
University of Halle-Wittenberg
Curated by ChEMBL
| Assay Description
Substrate activity at OATP1B3 (unknown origin) expressed in HEK293 cells assessed as cytotoxicity incubated for 48 hrs by sulforhodamine B assay |
J Nat Prod 83: 1960-1970 (2020)
Article DOI: 10.1021/acs.jnatprod.0c00251
BindingDB Entry DOI: 10.7270/Q23R0XF4 |
More data for this
Ligand-Target Pair | |
Solute carrier organic anion transporter family member 1B1
(Homo sapiens (Human)) | BDBM50542678
(CHEMBL4636474)Show SMILES CO[C@@H](Cc1ccccc1)[C@@H](C)\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](Cc2ccc(OCc3cn(nn3)-c3cc4ccc(O)cc4oc3=O)cc2)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C64H79N13O16/c1-34(27-35(2)51(91-8)29-40-13-10-9-11-14-40)16-23-46-36(3)55(80)71-48(61(86)87)24-25-53(79)76(7)39(6)58(83)68-38(5)57(82)72-49(60(85)73-54(62(88)89)37(4)56(81)70-47(59(84)69-46)15-12-26-67-64(65)66)28-41-17-21-45(22-18-41)92-33-43-32-77(75-74-43)50-30-42-19-20-44(78)31-52(42)93-63(50)90/h9-11,13-14,16-23,27,30-32,35-38,46-49,51,54,78H,6,12,15,24-26,28-29,33H2,1-5,7-8H3,(H,68,83)(H,69,84)(H,70,81)(H,71,80)(H,72,82)(H,73,85)(H,86,87)(H,88,89)(H4,65,66,67)/b23-16+,34-27+/t35-,36-,37-,38+,46-,47-,48+,49-,51-,54+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.70 | n/a | n/a | n/a | n/a |
University of Halle-Wittenberg
Curated by ChEMBL
| Assay Description
Substrate activity at OATP1B1 (unknown origin) expressed in HEK293 cells assessed as cytotoxicity incubated for 48 hrs by sulforhodamine B assay |
J Nat Prod 83: 1960-1970 (2020)
Article DOI: 10.1021/acs.jnatprod.0c00251
BindingDB Entry DOI: 10.7270/Q23R0XF4 |
More data for this
Ligand-Target Pair | |
Solute carrier organic anion transporter family member 1B1
(Homo sapiens (Human)) | BDBM50542676
(CHEMBL4633668)Show SMILES CO[C@@H](Cc1ccccc1)[C@@H](C)\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C52H72N10O13/c1-28(25-29(2)41(75-8)27-34-13-10-9-11-14-34)16-21-37-30(3)44(65)59-39(50(71)72)22-23-42(64)62(7)33(6)47(68)56-32(5)46(67)60-40(26-35-17-19-36(63)20-18-35)49(70)61-43(51(73)74)31(4)45(66)58-38(48(69)57-37)15-12-24-55-52(53)54/h9-11,13-14,16-21,25,29-32,37-41,43,63H,6,12,15,22-24,26-27H2,1-5,7-8H3,(H,56,68)(H,57,69)(H,58,66)(H,59,65)(H,60,67)(H,61,70)(H,71,72)(H,73,74)(H4,53,54,55)/b21-16+,28-25+/t29-,30-,31-,32+,37-,38-,39+,40-,41-,43+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 4.5 | n/a | n/a | n/a | n/a |
University of Halle-Wittenberg
Curated by ChEMBL
| Assay Description
Substrate activity at OATP1B1 (unknown origin) expressed in HEK293 cells assessed as cytotoxicity incubated for 48 hrs by sulforhodamine B assay |
J Nat Prod 83: 1960-1970 (2020)
Article DOI: 10.1021/acs.jnatprod.0c00251
BindingDB Entry DOI: 10.7270/Q23R0XF4 |
More data for this
Ligand-Target Pair | |
Solute carrier organic anion transporter family member 1B1
(Homo sapiens (Human)) | BDBM50542677
(CHEMBL4637446)Show SMILES CO[C@@H](Cc1ccccc1)[C@@H](C)\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](Cc2ccc(OCC#C)cc2)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C55H74N10O13/c1-10-27-78-39-21-19-38(20-22-39)29-43-52(72)64-46(54(75)76)34(5)48(68)61-41(17-14-26-58-55(56)57)51(71)60-40(23-18-31(2)28-32(3)44(77-9)30-37-15-12-11-13-16-37)33(4)47(67)62-42(53(73)74)24-25-45(66)65(8)36(7)50(70)59-35(6)49(69)63-43/h1,11-13,15-16,18-23,28,32-35,40-44,46H,7,14,17,24-27,29-30H2,2-6,8-9H3,(H,59,70)(H,60,71)(H,61,68)(H,62,67)(H,63,69)(H,64,72)(H,73,74)(H,75,76)(H4,56,57,58)/b23-18+,31-28+/t32-,33-,34-,35+,40-,41-,42+,43-,44-,46+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.10 | n/a | n/a | n/a | n/a |
University of Halle-Wittenberg
Curated by ChEMBL
| Assay Description
Substrate activity at OATP1B1 (unknown origin) expressed in HEK293 cells assessed as cytotoxicity incubated for 48 hrs by sulforhodamine B assay |
J Nat Prod 83: 1960-1970 (2020)
Article DOI: 10.1021/acs.jnatprod.0c00251
BindingDB Entry DOI: 10.7270/Q23R0XF4 |
More data for this
Ligand-Target Pair | |
Solute carrier organic anion transporter family member 1B3
(Homo sapiens (Human)) | BDBM50542678
(CHEMBL4636474)Show SMILES CO[C@@H](Cc1ccccc1)[C@@H](C)\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](Cc2ccc(OCc3cn(nn3)-c3cc4ccc(O)cc4oc3=O)cc2)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C64H79N13O16/c1-34(27-35(2)51(91-8)29-40-13-10-9-11-14-40)16-23-46-36(3)55(80)71-48(61(86)87)24-25-53(79)76(7)39(6)58(83)68-38(5)57(82)72-49(60(85)73-54(62(88)89)37(4)56(81)70-47(59(84)69-46)15-12-26-67-64(65)66)28-41-17-21-45(22-18-41)92-33-43-32-77(75-74-43)50-30-42-19-20-44(78)31-52(42)93-63(50)90/h9-11,13-14,16-23,27,30-32,35-38,46-49,51,54,78H,6,12,15,24-26,28-29,33H2,1-5,7-8H3,(H,68,83)(H,69,84)(H,70,81)(H,71,80)(H,72,82)(H,73,85)(H,86,87)(H,88,89)(H4,65,66,67)/b23-16+,34-27+/t35-,36-,37-,38+,46-,47-,48+,49-,51-,54+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.40 | n/a | n/a | n/a | n/a |
University of Halle-Wittenberg
Curated by ChEMBL
| Assay Description
Substrate activity at OATP1B3 (unknown origin) expressed in HEK293 cells assessed as cytotoxicity incubated for 48 hrs by sulforhodamine B assay |
J Nat Prod 83: 1960-1970 (2020)
Article DOI: 10.1021/acs.jnatprod.0c00251
BindingDB Entry DOI: 10.7270/Q23R0XF4 |
More data for this
Ligand-Target Pair | |
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