BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 11 hits Enz. Inhib. hit(s) with Target = 'Rhizopuspepsin' AND taxid = 4843   
Target
(Institution)
LigandTarget
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
pHTemp
°C
Rhizopuspepsin


(Rhizopus microsporus var. chinensis)
BDBM50070005
PNG
(((3R,6R,15R)-15-Hydroxymethyl-3-isopropyl-2,5-diox...)
Show SMILES CC(C)[C@H]1NC(=O)[C@@H](CCCCCCCC[C@H](CO)NC1=O)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C22H41N3O5/c1-15(2)18-20(28)23-16(14-26)12-10-8-6-7-9-11-13-17(19(27)25-18)24-21(29)30-22(3,4)5/h15-18,26H,6-14H2,1-5H3,(H,23,28)(H,24,29)(H,25,27)/t16-,17-,18-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
1.30n/an/an/an/an/an/an/an/a



University of Wisconsin-Madison

Curated by ChEMBL


Assay Description
Compound was evaluated for potency towards nicotinic acetylcholine receptor in rat P2 brain membranes using [3H]-nicotine as a radioligand


Bioorg Med Chem Lett 8: 357-60 (1999)

More data for this
Ligand-Target Pair
Rhizopuspepsin


(Rhizopus microsporus var. chinensis)
BDBM50022290
PNG
(2-(3-Hydroxy-6-methyl-4-{3-methyl-2-[3-methyl-2-(3...)
Show SMILES COC(=O)C(Cc1ccccc1)NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C)C(C)C
Show InChI InChI=1S/C33H54N4O7/c1-19(2)15-24(26(38)18-28(40)34-25(33(43)44-9)17-23-13-11-10-12-14-23)35-31(41)30(22(7)8)37-32(42)29(21(5)6)36-27(39)16-20(3)4/h10-14,19-22,24-26,29-30,38H,15-18H2,1-9H3,(H,34,40)(H,35,41)(H,36,39)(H,37,42)/t24-,25?,26-,29-,30-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
11n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of R. chinensis pepsin


J Med Chem 30: 286-95 (1987)

More data for this
Ligand-Target Pair
Rhizopuspepsin


(Rhizopus microsporus var. chinensis)
BDBM50022287
PNG
(8-Acetylamino-3-hydroxy-4-{3-methyl-2-[3-methyl-2-...)
Show SMILES CCOC(=O)C[C@H](O)[C@H](CCCCNC(C)=O)NC(=O)[C@H](NC(=O)C(NC(=O)CC(C)C)C(C)C)C(C)C
Show InChI InChI=1S/C27H50N4O7/c1-9-38-23(35)15-21(33)20(12-10-11-13-28-19(8)32)29-26(36)25(18(6)7)31-27(37)24(17(4)5)30-22(34)14-16(2)3/h16-18,20-21,24-25,33H,9-15H2,1-8H3,(H,28,32)(H,29,36)(H,30,34)(H,31,37)/t20-,21-,24?,25+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
29n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of R. chinensis pepsin


J Med Chem 30: 286-95 (1987)

More data for this
Ligand-Target Pair
Rhizopuspepsin


(Rhizopus microsporus var. chinensis)
BDBM50022285
PNG
((3S,4S) Acetate7-ethoxycarbonyl-6-hydroxy-5-{3-met...)
Show SMILES CCOC(=O)C[C@H](O)[C@H](CCCC[NH3+])NC(=O)[C@H](NC(=O)C(NC(=O)CC(C)C)C(C)C)C(C)C
Show InChI InChI=1S/C25H48N4O6/c1-8-35-21(32)14-19(30)18(11-9-10-12-26)27-24(33)23(17(6)7)29-25(34)22(16(4)5)28-20(31)13-15(2)3/h15-19,22-23,30H,8-14,26H2,1-7H3,(H,27,33)(H,28,31)(H,29,34)/p+1/t18-,19-,22?,23+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
33n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of R. chinensis pepsin


J Med Chem 30: 286-95 (1987)

More data for this
Ligand-Target Pair
Rhizopuspepsin


(Rhizopus microsporus var. chinensis)
BDBM50017789
PNG
((3S,4S)-3-Hydroxy-6-methyl-4-{3-methyl-2-[3-methyl...)
Show SMILES CCOC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C)C(C)C
Show InChI InChI=1S/C25H47N3O6/c1-10-34-21(31)13-19(29)18(11-14(2)3)26-24(32)23(17(8)9)28-25(33)22(16(6)7)27-20(30)12-15(4)5/h14-19,22-23,29H,10-13H2,1-9H3,(H,26,32)(H,27,30)(H,28,33)/t18-,19-,22-,23-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Similars

AffyNet 
PubMed
42n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of R. chinensis pepsin


J Med Chem 30: 286-95 (1987)

More data for this
Ligand-Target Pair
Rhizopuspepsin


(Rhizopus microsporus var. chinensis)
BDBM50022289
PNG
(Acetate6-ethoxycarbonyl-5-hydroxy-4-{3-methyl-2-[3...)
Show SMILES CCOC(=O)CC(O)[C@H](CCC[NH3+])NC(=O)[C@H](NC(=O)C(NC(=O)CC(C)C)C(C)C)C(C)C
Show InChI InChI=1S/C24H46N4O6/c1-8-34-20(31)13-18(29)17(10-9-11-25)26-23(32)22(16(6)7)28-24(33)21(15(4)5)27-19(30)12-14(2)3/h14-18,21-22,29H,8-13,25H2,1-7H3,(H,26,32)(H,27,30)(H,28,33)/p+1/t17-,18?,21?,22+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
47n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of R. chinensis pepsin


J Med Chem 30: 286-95 (1987)

More data for this
Ligand-Target Pair
Rhizopuspepsin


(Rhizopus microsporus var. chinensis)
BDBM50405191
PNG
(CHEMBL269752)
Show SMILES CC[C@](C)(N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)NC(CC(C)C)C(O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C54H77N13O9/c1-7-54(6,56)53(76)66-43(26-37-29-58-31-60-37)52(75)67-20-14-19-44(67)51(74)65-41(24-35-17-12-9-13-18-35)49(72)64-42(25-36-28-57-30-59-36)50(73)62-38(21-32(2)3)45(68)27-46(69)61-40(22-33(4)5)48(71)63-39(47(55)70)23-34-15-10-8-11-16-34/h8-13,15-18,28-33,38-45,68H,7,14,19-27,56H2,1-6H3,(H2,55,70)(H,57,59)(H,58,60)(H,61,69)(H,62,73)(H,63,71)(H,64,72)(H,65,74)(H,66,76)/t38?,39-,40-,41-,42-,43-,44-,45?,54-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
200n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Renin


J Med Chem 28: 1779-90 (1986)

More data for this
Ligand-Target Pair
Rhizopuspepsin


(Rhizopus microsporus var. chinensis)
BDBM50405190
PNG
(CHEMBL2028991)
Show SMILES CC(C)C[C@H](NC(=O)CC(O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C57H80N12O9/c1-35(2)23-44(53(74)66-43(52(58)73)26-38-17-10-6-11-18-38)63-51(72)30-49(70)42(25-37-15-8-5-9-16-37)65-55(76)46(28-40-31-59-33-61-40)67-54(75)45(27-39-19-12-7-13-20-39)68-56(77)48-21-14-22-69(48)57(78)47(29-41-32-60-34-62-41)64-50(71)24-36(3)4/h6-7,10-13,17-20,31-37,42-49,70H,5,8-9,14-16,21-30H2,1-4H3,(H2,58,73)(H,59,61)(H,60,62)(H,63,72)(H,64,71)(H,65,76)(H,66,74)(H,67,75)(H,68,77)/t42-,43-,44-,45-,46-,47-,48-,49?/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
230n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against nicotinic acetylcholine receptor alpha2-beta4 using [3H]epibatidine as radioligand expressed in HEK293 cells or tsA cells


J Med Chem 28: 1779-90 (1986)

More data for this
Ligand-Target Pair
Rhizopuspepsin


(Rhizopus microsporus var. chinensis)
BDBM50070006
PNG
(((Z)-(3R,6R,15R)-15-Hydroxymethyl-3-isopropyl-2,5-...)
Show SMILES CC(C)[C@H]1NC(=O)[C@@H](CCC\C=C/CCC[C@H](CO)NC1=O)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C22H39N3O5/c1-15(2)18-20(28)23-16(14-26)12-10-8-6-7-9-11-13-17(19(27)25-18)24-21(29)30-22(3,4)5/h6-7,15-18,26H,8-14H2,1-5H3,(H,23,28)(H,24,29)(H,25,27)/b7-6-/t16-,17-,18-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
336n/an/an/an/an/an/an/an/a



University of Wisconsin-Madison

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibitory activity towards nicotinic acetylcholine receptor in rat P2 brain membranes using [3H]-nicotine as a radioligan...


Bioorg Med Chem Lett 8: 357-60 (1999)

More data for this
Ligand-Target Pair
Rhizopuspepsin


(Rhizopus microsporus var. chinensis)
BDBM50108797
PNG
(3-(4-Bromo-benzyloxy)-4-phenyl-piperidine | CHEMBL...)
Show SMILES Brc1ccc(CO[C@H]2CNCC[C@@H]2c2ccccc2)cc1
Show InChI InChI=1S/C18H20BrNO/c19-16-8-6-14(7-9-16)13-21-18-12-20-11-10-17(18)15-4-2-1-3-5-15/h1-9,17-18,20H,10-13H2/t17-,18+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
PubMed
n/an/a 2.00E+3n/an/an/an/an/an/a



University of Wisconsin-Madison

Curated by ChEMBL


Assay Description
Molar concentration required to inhibit 50% of the activating delayed-rectifier K+ current in isolated guinea pig ventricularmyocytes


J Med Chem 45: 541-58 (2002)

More data for this
Ligand-Target Pair
Rhizopuspepsin


(Rhizopus microsporus var. chinensis)
BDBM50108796
PNG
(2-{4-[3-(4-Bromo-benzyloxy)-piperidin-4-yl]-phenox...)
Show SMILES Brc1ccc(CO[C@H]2CNCC[C@@H]2c2ccc(OCC(=O)c3ccc4ccccc4c3)cc2)cc1
Show InChI InChI=1S/C30H28BrNO3/c31-26-11-5-21(6-12-26)19-35-30-18-32-16-15-28(30)23-9-13-27(14-10-23)34-20-29(33)25-8-7-22-3-1-2-4-24(22)17-25/h1-14,17,28,30,32H,15-16,18-20H2/t28-,30+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

AffyNet 
PubMed
n/an/a 2.00E+3n/an/an/an/an/an/a



University of Wisconsin-Madison

Curated by ChEMBL


Assay Description
Molar concentration required to inhibit 50% of the activating delayed-rectifier K+ current in isolated guinea pig ventricularmyocytes


J Med Chem 45: 541-58 (2002)

More data for this
Ligand-Target Pair