BindingDB logo
myBDB logout

21 similar compounds to monomer 50348193

Compile data set for download or QSAR
Wt: 498.6
BDBM44361
Wt: 512.6
BDBM44256
Wt: 450.5
BDBM44267
Wt: 498.6
BDBM44323
Wt: 480.6
BDBM50043581
Wt: 441.5
BDBM50063552
Wt: 427.5
BDBM50063559
Wt: 441.5
BDBM50063565
Wt: 511.6
BDBM50111114
Wt: 351.4
BDBM50133518
Wt: 380.4
BDBM50133533
Wt: 514.6
BDBM50149404
Wt: 557.6
BDBM50186447
Wt: 557.6
BDBM50186448
Wt: 557.6
BDBM50186450
Displayed 1 to 15 (of 21 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 30 hits for monomerid = 44361,44256,44267,44323,50043581,50063552,50063559,50063565,50111114,50133518,50133533,50149404,50186447,50186448,50186450   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50111114
PNG
(2N-(4-Benzamidinemethyl)-1-[2-Acetylamino-3,3-diph...)
Show SMILES CC(=O)N[C@H](C(c1ccccc1)c1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCc1ccc(cc1)C(N)=N
Show InChI InChI=1S/C30H33N5O3/c1-20(36)34-27(26(22-9-4-2-5-10-22)23-11-6-3-7-12-23)30(38)35-18-8-13-25(35)29(37)33-19-21-14-16-24(17-15-21)28(31)32/h2-7,9-12,14-17,25-27H,8,13,18-19H2,1H3,(H3,31,32)(H,33,37)(H,34,36)/t25-,27+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.160n/an/an/an/an/an/an/an/a



Life Science R&D, LGCI

Curated by ChEMBL


Assay Description
Binding affinity against human thrombin


Bioorg Med Chem Lett 12: 1017-22 (2002)


Article DOI: 10.1016/s0960-894x(02)00093-8
BindingDB Entry DOI: 10.7270/Q2CV4J9T
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50149404
PNG
(1-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionyl]-pyr...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C30H34N4O4/c31-25(18-22-13-15-24(35)16-14-22)30(38)34-17-7-12-27(34)29(37)33-26(19-21-8-3-1-4-9-21)28(36)32-20-23-10-5-2-6-11-23/h1-6,8-11,13-16,25-27,35H,7,12,17-20,31H2,(H,32,36)(H,33,37)/t25-,26-,27-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
22n/an/an/an/an/an/an/an/a



Kobe Gakuin University

Curated by ChEMBL


Assay Description
Binding affinity against rat brain Opioid receptor mu 1 using [3H]-DAMGO radioligand


J Med Chem 47: 3591-9 (2004)


Article DOI: 10.1021/jm030649p
BindingDB Entry DOI: 10.7270/Q2W095DJ
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50186450
PNG
(CHEMBL378111 | Tyr-Pro-Phe-Phg-NH2)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(N)=O)c1ccccc1
Show InChI InChI=1S/C31H35N5O5/c32-24(18-21-13-15-23(37)16-14-21)31(41)36-17-7-12-26(36)30(40)34-25(19-20-8-3-1-4-9-20)29(39)35-27(28(33)38)22-10-5-2-6-11-22/h1-6,8-11,13-16,24-27,37H,7,12,17-19,32H2,(H2,33,38)(H,34,40)(H,35,39)/t24-,25-,26-,27-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
26.9n/an/an/an/an/an/an/an/a



Lanzhou University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in Wistar rat brain


Bioorg Med Chem Lett 16: 3688-92 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.063
BindingDB Entry DOI: 10.7270/Q2445M2G
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50063559
PNG
(1-(2-Amino-3,3-diphenyl-propionyl)-pyrrolidine-2-c...)
Show SMILES NC(C(c1ccccc1)c1ccccc1)C(=O)N1CCCC1C(=O)NCc1ccccc1
Show InChI InChI=1S/C27H29N3O2/c28-25(24(21-13-6-2-7-14-21)22-15-8-3-9-16-22)27(32)30-18-10-17-23(30)26(31)29-19-20-11-4-1-5-12-20/h1-9,11-16,23-25H,10,17-19,28H2,(H,29,31)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
110n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards thrombin


J Med Chem 41: 1011-3 (1998)


Article DOI: 10.1021/jm9706933
BindingDB Entry DOI: 10.7270/Q2ZG6RCF
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50186447
PNG
(CHEMBL208990 | Tyr-Pro-Phe-D-Phg-NH2)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(N)=O)c1ccccc1
Show InChI InChI=1S/C31H35N5O5/c32-24(18-21-13-15-23(37)16-14-21)31(41)36-17-7-12-26(36)30(40)34-25(19-20-8-3-1-4-9-20)29(39)35-27(28(33)38)22-10-5-2-6-11-22/h1-6,8-11,13-16,24-27,37H,7,12,17-19,32H2,(H2,33,38)(H,34,40)(H,35,39)/t24-,25-,26-,27+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
216n/an/an/an/an/an/an/an/a



Lanzhou University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in Wistar rat brain


Bioorg Med Chem Lett 16: 3688-92 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.063
BindingDB Entry DOI: 10.7270/Q2445M2G
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50186448
PNG
(CHEMBL211119 | Tyr-Pro-Phg-Phe-NH2)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(N)=O)c1ccccc1
Show InChI InChI=1S/C31H35N5O5/c32-24(18-21-13-15-23(37)16-14-21)31(41)36-17-7-12-26(36)29(39)35-27(22-10-5-2-6-11-22)30(40)34-25(28(33)38)19-20-8-3-1-4-9-20/h1-6,8-11,13-16,24-27,37H,7,12,17-19,32H2,(H2,33,38)(H,34,40)(H,35,39)/t24-,25-,26-,27-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
268n/an/an/an/an/an/an/an/a



Lanzhou University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in Wistar rat brain


Bioorg Med Chem Lett 16: 3688-92 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.063
BindingDB Entry DOI: 10.7270/Q2445M2G
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50133533
PNG
((S)-1-((R)-2-Amino-3-phenyl-propionyl)-pyrrolidine...)
Show SMILES NCc1ccccc1CNC(=O)[C@@H]1CCCN1C(=O)[C@H](N)Cc1ccccc1
Show InChI InChI=1S/C22H28N4O2/c23-14-17-9-4-5-10-18(17)15-25-21(27)20-11-6-12-26(20)22(28)19(24)13-16-7-2-1-3-8-16/h1-5,7-10,19-20H,6,11-15,23-24H2,(H,25,27)/t19-,20+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
313n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory constant evaluated against thrombin (Factor IIa)


Bioorg Med Chem Lett 13: 3477-82 (2003)


Article DOI: 10.1016/s0960-894x(03)00732-7
BindingDB Entry DOI: 10.7270/Q29P3119
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM44323
PNG
((2S)-N-(diphenylmethyl)-1-[(2S)-2-[[(2S)-2-(methyl...)
Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)NC(c1ccccc1)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C30H34N4O3/c1-21(31-2)28(35)33-27(24-17-10-5-11-18-24)30(37)34-20-12-19-25(34)29(36)32-26(22-13-6-3-7-14-22)23-15-8-4-9-16-23/h3-11,13-18,21,25-27,31H,12,19-20H2,1-2H3,(H,32,36)(H,33,35)/t21-,25-,27-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
660n/an/an/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Competitive inhibition of XIAP BIR3 domain by fluorescent polarization assay


Bioorg Med Chem Lett 21: 4332-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.049
BindingDB Entry DOI: 10.7270/Q2S46SBD
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM44267
PNG
((2S)-N-(diphenylmethyl)-1-[(2S)-2-[[(2S)-2-(methyl...)
Show SMILES CC[C@H](NC(=O)[C@H](C)NC)C(=O)N1CCC[C@H]1C(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C26H34N4O3/c1-4-21(28-24(31)18(2)27-3)26(33)30-17-11-16-22(30)25(32)29-23(19-12-7-5-8-13-19)20-14-9-6-10-15-20/h5-10,12-15,18,21-23,27H,4,11,16-17H2,1-3H3,(H,28,31)(H,29,32)/t18-,21-,22-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
700n/an/an/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Competitive inhibition of XIAP BIR3 domain by fluorescent polarization assay


Bioorg Med Chem Lett 21: 4332-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.049
BindingDB Entry DOI: 10.7270/Q2S46SBD
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50149404
PNG
(1-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionyl]-pyr...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C30H34N4O4/c31-25(18-22-13-15-24(35)16-14-22)30(38)34-17-7-12-27(34)29(37)33-26(19-21-8-3-1-4-9-21)28(36)32-20-23-10-5-2-6-11-23/h1-6,8-11,13-16,25-27,35H,7,12,17-20,31H2,(H,32,36)(H,33,37)/t25-,26-,27-/m0/s1
PDB

Reactome pathway
KEGG

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.73E+3n/an/an/an/an/an/an/an/a



Kobe Gakuin University

Curated by ChEMBL


Assay Description
Binding affinity against rat brain opioid receptor delta 1 using [3H]-DPDPE radioligand


J Med Chem 47: 3591-9 (2004)


Article DOI: 10.1021/jm030649p
BindingDB Entry DOI: 10.7270/Q2W095DJ
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM44267
PNG
((2S)-N-(diphenylmethyl)-1-[(2S)-2-[[(2S)-2-(methyl...)
Show SMILES CC[C@H](NC(=O)[C@H](C)NC)C(=O)N1CCC[C@H]1C(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C26H34N4O3/c1-4-21(28-24(31)18(2)27-3)26(33)30-17-11-16-22(30)25(32)29-23(19-12-7-5-8-13-19)20-14-9-6-10-15-20/h5-10,12-15,18,21-23,27H,4,11,16-17H2,1-3H3,(H,28,31)(H,29,32)/t18-,21-,22-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.12E+3n/an/an/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Competitive inhibition of XIAP BIR2 domain by fluorescent polarization assay


Bioorg Med Chem Lett 21: 4332-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.049
BindingDB Entry DOI: 10.7270/Q2S46SBD
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50133518
PNG
((S)-1-((R)-2-Amino-3-phenyl-propionyl)-pyrrolidine...)
Show SMILES N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCc1ccccc1
Show InChI InChI=1S/C21H25N3O2/c22-18(14-16-8-3-1-4-9-16)21(26)24-13-7-12-19(24)20(25)23-15-17-10-5-2-6-11-17/h1-6,8-11,18-19H,7,12-15,22H2,(H,23,25)/t18-,19+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
4.60E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory constant evaluated against thrombin (Factor IIa)


Bioorg Med Chem Lett 13: 3477-82 (2003)


Article DOI: 10.1016/s0960-894x(03)00732-7
BindingDB Entry DOI: 10.7270/Q29P3119
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM44323
PNG
((2S)-N-(diphenylmethyl)-1-[(2S)-2-[[(2S)-2-(methyl...)
Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)NC(c1ccccc1)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C30H34N4O3/c1-21(31-2)28(35)33-27(24-17-10-5-11-18-24)30(37)34-20-12-19-25(34)29(36)32-26(22-13-6-3-7-14-22)23-15-8-4-9-16-23/h3-11,13-18,21,25-27,31H,12,19-20H2,1-2H3,(H,32,36)(H,33,35)/t21-,25-,27-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
8.06E+3n/an/an/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Competitive inhibition of XIAP BIR2 domain by fluorescent polarization assay


Bioorg Med Chem Lett 21: 4332-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.049
BindingDB Entry DOI: 10.7270/Q2S46SBD
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50186450
PNG
(CHEMBL378111 | Tyr-Pro-Phe-Phg-NH2)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(N)=O)c1ccccc1
Show InChI InChI=1S/C31H35N5O5/c32-24(18-21-13-15-23(37)16-14-21)31(41)36-17-7-12-26(36)30(40)34-25(19-20-8-3-1-4-9-20)29(39)35-27(28(33)38)22-10-5-2-6-11-22/h1-6,8-11,13-16,24-27,37H,7,12,17-19,32H2,(H2,33,38)(H,34,40)(H,35,39)/t24-,25-,26-,27-/m0/s1
PDB

Reactome pathway
KEGG

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Lanzhou University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from delta opioid receptor in Wistar rat brain


Bioorg Med Chem Lett 16: 3688-92 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.063
BindingDB Entry DOI: 10.7270/Q2445M2G
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50186448
PNG
(CHEMBL211119 | Tyr-Pro-Phg-Phe-NH2)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(N)=O)c1ccccc1
Show InChI InChI=1S/C31H35N5O5/c32-24(18-21-13-15-23(37)16-14-21)31(41)36-17-7-12-26(36)29(39)35-27(22-10-5-2-6-11-22)30(40)34-25(28(33)38)19-20-8-3-1-4-9-20/h1-6,8-11,13-16,24-27,37H,7,12,17-19,32H2,(H2,33,38)(H,34,40)(H,35,39)/t24-,25-,26-,27-/m0/s1
PDB

Reactome pathway
KEGG

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Lanzhou University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from delta opioid receptor in Wistar rat brain


Bioorg Med Chem Lett 16: 3688-92 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.063
BindingDB Entry DOI: 10.7270/Q2445M2G
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50186447
PNG
(CHEMBL208990 | Tyr-Pro-Phe-D-Phg-NH2)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(N)=O)c1ccccc1
Show InChI InChI=1S/C31H35N5O5/c32-24(18-21-13-15-23(37)16-14-21)31(41)36-17-7-12-26(36)30(40)34-25(19-20-8-3-1-4-9-20)29(39)35-27(28(33)38)22-10-5-2-6-11-22/h1-6,8-11,13-16,24-27,37H,7,12,17-19,32H2,(H2,33,38)(H,34,40)(H,35,39)/t24-,25-,26-,27+/m0/s1
PDB

Reactome pathway
KEGG

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Lanzhou University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from delta opioid receptor in Wistar rat brain


Bioorg Med Chem Lett 16: 3688-92 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.063
BindingDB Entry DOI: 10.7270/Q2445M2G
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))
BDBM50133533
PNG
((S)-1-((R)-2-Amino-3-phenyl-propionyl)-pyrrolidine...)
Show SMILES NCc1ccccc1CNC(=O)[C@@H]1CCCN1C(=O)[C@H](N)Cc1ccccc1
Show InChI InChI=1S/C22H28N4O2/c23-14-17-9-4-5-10-18(17)15-25-21(27)20-11-6-12-26(20)22(28)19(24)13-16-7-2-1-3-8-16/h1-5,7-10,19-20H,6,11-15,23-24H2,(H,25,27)/t19-,20+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.06E+5n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory constant evaluated against trypsin


Bioorg Med Chem Lett 13: 3477-82 (2003)


Article DOI: 10.1016/s0960-894x(03)00732-7
BindingDB Entry DOI: 10.7270/Q29P3119
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))
BDBM50133518
PNG
((S)-1-((R)-2-Amino-3-phenyl-propionyl)-pyrrolidine...)
Show SMILES N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCc1ccccc1
Show InChI InChI=1S/C21H25N3O2/c22-18(14-16-8-3-1-4-9-16)21(26)24-13-7-12-19(24)20(25)23-15-17-10-5-2-6-11-17/h1-6,8-11,18-19H,7,12-15,22H2,(H,23,25)/t18-,19+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
>1.00E+6n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory constant evaluated against trypsin


Bioorg Med Chem Lett 13: 3477-82 (2003)


Article DOI: 10.1016/s0960-894x(03)00732-7
BindingDB Entry DOI: 10.7270/Q29P3119
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50063552
PNG
(1-(2-Amino-3,3-diphenyl-propionyl)-pyrrolidine-2-c...)
Show SMILES Cc1ccccc1CNC(=O)C1CCCN1C(=O)C(N)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C28H31N3O2/c1-20-11-8-9-16-23(20)19-30-27(32)24-17-10-18-31(24)28(33)26(29)25(21-12-4-2-5-13-21)22-14-6-3-7-15-22/h2-9,11-16,24-26H,10,17-19,29H2,1H3,(H,30,32)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 600n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against thrombin


J Med Chem 41: 1011-3 (1998)


Article DOI: 10.1021/jm9706933
BindingDB Entry DOI: 10.7270/Q2ZG6RCF
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50043581
PNG
(1N-[1-[1-benzylcarbamoyl-2-phenyl-(1S)-ethylcarbam...)
Show SMILES CC(C)C[C@@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C28H40N4O3/c1-19(2)15-23(29)26(33)31-24(16-20(3)4)28(35)32-25(17-21-11-7-5-8-12-21)27(34)30-18-22-13-9-6-10-14-22/h5-14,19-20,23-25H,15-18,29H2,1-4H3,(H,30,34)(H,31,33)(H,32,35)/t23-,24+,25+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.08E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human fibroblast stromelysin


J Med Chem 36: 4293-301 (1994)


Article DOI: 10.1021/jm00078a019
BindingDB Entry DOI: 10.7270/Q2Z31XQ9
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50043581
PNG
(1N-[1-[1-benzylcarbamoyl-2-phenyl-(1S)-ethylcarbam...)
Show SMILES CC(C)C[C@@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C28H40N4O3/c1-19(2)15-23(29)26(33)31-24(16-20(3)4)28(35)32-25(17-21-11-7-5-8-12-21)27(34)30-18-22-13-9-6-10-14-22/h5-14,19-20,23-25H,15-18,29H2,1-4H3,(H,30,34)(H,31,33)(H,32,35)/t23-,24+,25+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 500n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human fibroblast collagenase


J Med Chem 36: 4293-301 (1994)


Article DOI: 10.1021/jm00078a019
BindingDB Entry DOI: 10.7270/Q2Z31XQ9
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50063559
PNG
(1-(2-Amino-3,3-diphenyl-propionyl)-pyrrolidine-2-c...)
Show SMILES NC(C(c1ccccc1)c1ccccc1)C(=O)N1CCCC1C(=O)NCc1ccccc1
Show InChI InChI=1S/C27H29N3O2/c28-25(24(21-13-6-2-7-14-21)22-15-8-3-9-16-22)27(32)30-18-10-17-23(30)26(31)29-19-20-11-4-1-5-12-20/h1-9,11-16,23-25H,10,17-19,28H2,(H,29,31)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 130n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against thrombin


J Med Chem 41: 1011-3 (1998)


Article DOI: 10.1021/jm9706933
BindingDB Entry DOI: 10.7270/Q2ZG6RCF
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM44323
PNG
((2S)-N-(diphenylmethyl)-1-[(2S)-2-[[(2S)-2-(methyl...)
Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)NC(c1ccccc1)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C30H34N4O3/c1-21(31-2)28(35)33-27(24-17-10-5-11-18-24)30(37)34-20-12-19-25(34)29(36)32-26(22-13-6-3-7-14-22)23-15-8-4-9-16-23/h3-11,13-18,21,25-27,31H,12,19-20H2,1-2H3,(H,32,36)(H,33,35)/t21-,25-,27-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.80E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q29W0CWK
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM44256
PNG
(MLS-0390871.0001 | N-(diphenylmethyl)-1-[2-[2-(met...)
Show SMILES CNC(C)C(=O)NC(Cc1ccccc1)C(=O)N1CCCC1C(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C31H36N4O3/c1-22(32-2)29(36)33-26(21-23-13-6-3-7-14-23)31(38)35-20-12-19-27(35)30(37)34-28(24-15-8-4-9-16-24)25-17-10-5-11-18-25/h3-11,13-18,22,26-28,32H,12,19-21H2,1-2H3,(H,33,36)(H,34,37)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 2.80E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q29W0CWK
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM44361
PNG
(MLS-0390869.0001 | N-(diphenylmethyl)-1-[2-[2-(met...)
Show SMILES CNC(C)C(=O)NC(C(=O)N1CCCC1C(=O)NC(c1ccccc1)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C30H34N4O3/c1-21(31-2)28(35)33-27(24-17-10-5-11-18-24)30(37)34-20-12-19-25(34)29(36)32-26(22-13-6-3-7-14-22)23-15-8-4-9-16-23/h3-11,13-18,21,25-27,31H,12,19-20H2,1-2H3,(H,32,36)(H,33,35)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 2.44E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q29W0CWK
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM44323
PNG
((2S)-N-(diphenylmethyl)-1-[(2S)-2-[[(2S)-2-(methyl...)
Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)NC(c1ccccc1)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C30H34N4O3/c1-21(31-2)28(35)33-27(24-17-10-5-11-18-24)30(37)34-20-12-19-25(34)29(36)32-26(22-13-6-3-7-14-22)23-15-8-4-9-16-23/h3-11,13-18,21,25-27,31H,12,19-20H2,1-2H3,(H,32,36)(H,33,35)/t21-,25-,27-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.49E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2FN14KV
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM44267
PNG
((2S)-N-(diphenylmethyl)-1-[(2S)-2-[[(2S)-2-(methyl...)
Show SMILES CC[C@H](NC(=O)[C@H](C)NC)C(=O)N1CCC[C@H]1C(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C26H34N4O3/c1-4-21(28-24(31)18(2)27-3)26(33)30-17-11-16-22(30)25(32)29-23(19-12-7-5-8-13-19)20-14-9-6-10-15-20/h5-10,12-15,18,21-23,27H,4,11,16-17H2,1-3H3,(H,28,31)(H,29,32)/t18-,21-,22-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 6.20E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2FN14KV
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM44256
PNG
(MLS-0390871.0001 | N-(diphenylmethyl)-1-[2-[2-(met...)
Show SMILES CNC(C)C(=O)NC(Cc1ccccc1)C(=O)N1CCCC1C(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C31H36N4O3/c1-22(32-2)29(36)33-26(21-23-13-6-3-7-14-23)31(38)35-20-12-19-27(35)30(37)34-28(24-15-8-4-9-16-24)25-17-10-5-11-18-25/h3-11,13-18,22,26-28,32H,12,19-21H2,1-2H3,(H,33,36)(H,34,37)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.67E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2FN14KV
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50063565
PNG
(1-(2-Amino-3,3-diphenyl-propionyl)-pyrrolidine-2-c...)
Show SMILES Cc1cccc(CNC(=O)C2CCCN2C(=O)C(N)C(c2ccccc2)c2ccccc2)c1
Show InChI InChI=1S/C28H31N3O2/c1-20-10-8-11-21(18-20)19-30-27(32)24-16-9-17-31(24)28(33)26(29)25(22-12-4-2-5-13-22)23-14-6-3-7-15-23/h2-8,10-15,18,24-26H,9,16-17,19,29H2,1H3,(H,30,32)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 100n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against thrombin


J Med Chem 41: 1011-3 (1998)


Article DOI: 10.1021/jm9706933
BindingDB Entry DOI: 10.7270/Q2ZG6RCF
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM44267
PNG
((2S)-N-(diphenylmethyl)-1-[(2S)-2-[[(2S)-2-(methyl...)
Show SMILES CC[C@H](NC(=O)[C@H](C)NC)C(=O)N1CCC[C@H]1C(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C26H34N4O3/c1-4-21(28-24(31)18(2)27-3)26(33)30-17-11-16-22(30)25(32)29-23(19-12-7-5-8-13-19)20-14-9-6-10-15-20/h5-10,12-15,18,21-23,27H,4,11,16-17H2,1-3H3,(H,28,31)(H,29,32)/t18-,21-,22-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.90E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q29W0CWK
More data for this
Ligand-Target Pair