Found 22244 hits with Last Name = 'chen' and Initial = 'l' 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 |
|---|
Coagulation factor X
(Homo sapiens (Human)) | BDBM50377655
(CHEMBL260160)Show SMILES COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1ccc(cc1F)-n1ccccc1=O Show InChI InChI=1S/C25H17Cl2FN4O4/c1-36-20-11-15(27)10-18(25(35)30-21-8-5-14(26)13-29-21)23(20)31-24(34)17-7-6-16(12-19(17)28)32-9-3-2-4-22(32)33/h2-13H,1H3,(H,31,34)(H,29,30,35) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.00500 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of human factor 10a |
Bioorg Med Chem Lett 18: 2845-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.092
BindingDB Entry DOI: 10.7270/Q2611169 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM17135
(3-chloro-N-{4-chloro-2-[(5-chloropyridin-2-yl)carb...)Show SMILES CNc1nccn1Cc1csc(C(=O)Nc2c(OC)cc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)c1Cl Show InChI InChI=1S/C23H19Cl3N6O3S/c1-27-23-28-5-6-32(23)10-12-11-36-20(18(12)26)22(34)31-19-15(7-14(25)8-16(19)35-2)21(33)30-17-4-3-13(24)9-29-17/h3-9,11H,10H2,1-2H3,(H,27,28)(H,31,34)(H,29,30,33) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
| MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| MMDB
PDB
Article
PubMed
| 0.00500 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Co.
Curated by ChEMBL
| Assay Description
Inhibition of factor 10a |
J Med Chem 53: 6243-74 (2010)
Article DOI: 10.1021/jm100146h
BindingDB Entry DOI: 10.7270/Q2CR5VBB |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Apoptosis regulator Bcl-2
(Homo sapiens (Human)) | BDBM50162774
(ABT-199 | VENETOCLAX | Venetoclax)Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c(c3)N(=O)=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 Show InChI InChI=1S/C45H50ClN7O7S/c1-45(2)15-11-33(39(26-45)31-3-5-34(46)6-4-31)29-51-17-19-52(20-18-51)35-7-9-38(42(24-35)60-36-23-32-12-16-47-43(32)49-28-36)44(54)50-61(57,58)37-8-10-40(41(25-37)53(55)56)48-27-30-13-21-59-22-14-30/h3-10,12,16,23-25,28,30,48H,11,13-15,17-22,26-27,29H2,1-2H3,(H,47,49)(H,50,54) | PDB
Reactome pathway
UniProtKB/SwissProt
UniProtKB/TrEMBL
antibodypedia
GoogleScholar
| KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| <0.0100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Maryland
Curated by ChEMBL
| Assay Description
Binding affinity to Bcl-2 (unknown origin) by TR-FRET assay |
J Med Chem 60: 821-838 (2017)
BindingDB Entry DOI: 10.7270/Q2ZC85BP |
More data for this
Ligand-Target Pair | |
Calcitonin gene-related peptide type 1 receptor
(Homo sapiens (Human)) | BDBM50184069
(CHEMBL207197 | N-((R)-1-((S)-6-amino-1-oxo-1-(4-(p...)Show SMILES NCCCC[C@H](NC(=O)[C@@H](Cc1cc(Br)c(O)c(Br)c1)NC(=O)N1CCC(CC1)N1Cc2ccccc2NC1=O)C(=O)N1CCN(CC1)c1ccncc1 Show InChI InChI=1S/C38H47Br2N9O5/c39-29-21-25(22-30(40)34(29)50)23-33(45-37(53)48-15-10-28(11-16-48)49-24-26-5-1-2-6-31(26)44-38(49)54)35(51)43-32(7-3-4-12-41)36(52)47-19-17-46(18-20-47)27-8-13-42-14-9-27/h1-2,5-6,8-9,13-14,21-22,28,32-33,50H,3-4,7,10-12,15-20,23-24,41H2,(H,43,51)(H,44,54)(H,45,53)/t32-,33+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
| Purchase
CHEMBL
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| 0.0100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [125I]-CGRP from CGRP receptor in human SK-N-MC cells |
ACS Med Chem Lett 3: 337-341 (2012)
Article DOI: 10.1021/ml300021s
BindingDB Entry DOI: 10.7270/Q26D5V2R |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50095105
(4-{2-[4-(Benzo[1,3]dioxole-5-sulfonyl)-phenyl]-[1,...)Show SMILES CCCS(=O)(=O)N1CCC(CC1)N1CCC(CC1)C1(OCCO1)c1ccc(cc1)S(=O)(=O)c1ccc2OCOc2c1 Show InChI InChI=1S/C29H38N2O8S2/c1-2-19-40(32,33)31-15-11-24(12-16-31)30-13-9-23(10-14-30)29(38-17-18-39-29)22-3-5-25(6-4-22)41(34,35)26-7-8-27-28(20-26)37-21-36-27/h3-8,20,23-24H,2,9-19,21H2,1H3 | PDB
Reactome pathway
UniProtKB/SwissProt
UniProtKB/TrEMBL
antibodypedia
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.0100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity at human cloned acetylcholine receptor M2 in CHO cells. |
Bioorg Med Chem Lett 10: 2727-30 (2000)
Article DOI: 10.1016/s0960-894x(00)00553-9
BindingDB Entry DOI: 10.7270/Q2V40TGZ |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50243536
(CHEMBL4062749)Show SMILES Cc1c(nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(OS(=O)(=O)CCC(F)(F)F)cc1)C(=O)N[C@@H]1CCCC[C@@H]1O Show InChI InChI=1S/C26H26Cl2F3N3O5S/c1-15-23(25(36)32-21-4-2-3-5-22(21)35)33-24(19-11-6-16(27)14-20(19)28)34(15)17-7-9-18(10-8-17)39-40(37,38)13-12-26(29,30)31/h6-11,14,21-22,35H,2-5,12-13H2,1H3,(H,32,36)/t21-,22+/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.0100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Leiden University
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from recombinant human CB1 receptor expressed in beta-galactosidase expressing CHOK1 cell membranes after 60 mins by scin... |
J Med Chem 60: 9545-9564 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00861
BindingDB Entry DOI: 10.7270/Q2X92DQ7 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM12751
(1-(3-carbamimidoylphenyl)-3-methyl-N-[4-(2-sulfamo...)Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cccc(c1)C(N)=N Show InChI InChI=1S/C24H22N6O3S/c1-15-13-21(30(29-15)19-6-4-5-17(14-19)23(25)26)24(31)28-18-11-9-16(10-12-18)20-7-2-3-8-22(20)34(27,32)33/h2-14H,1H3,(H3,25,26)(H,28,31)(H2,27,32,33) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.0130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Co.
Curated by ChEMBL
| Assay Description
Inhibition of factor 10a |
J Med Chem 53: 6243-74 (2010)
Article DOI: 10.1021/jm100146h
BindingDB Entry DOI: 10.7270/Q2CR5VBB |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50377635
(CHEMBL402980)Show SMILES COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1ccc(cc1)-n1ccccc1=O Show InChI InChI=1S/C25H18Cl2N4O4/c1-35-20-13-17(27)12-19(25(34)29-21-10-7-16(26)14-28-21)23(20)30-24(33)15-5-8-18(9-6-15)31-11-3-2-4-22(31)32/h2-14H,1H3,(H,30,33)(H,28,29,34) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.0130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of human factor 10a |
Bioorg Med Chem Lett 18: 2845-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.092
BindingDB Entry DOI: 10.7270/Q2611169 |
More data for this
Ligand-Target Pair | |
Calcitonin gene-related peptide type 1 receptor
(Homo sapiens (Human)) | BDBM50268484
((R)-4-(8-Fluoro-2-oxo-1,2-dihydroquinazolin-3(4H)-...)Show SMILES Cc1cc(C[C@@H](NC(=O)N2CCC(CC2)N2Cc3cccc(F)c3NC2=O)C(=O)N2CCC(CC2)N2CCCCC2)cc2cn[nH]c12 Show InChI InChI=1S/C35H45FN8O3/c1-23-18-24(19-26-21-37-40-31(23)26)20-30(33(45)42-14-8-27(9-15-42)41-12-3-2-4-13-41)38-34(46)43-16-10-28(11-17-43)44-22-25-6-5-7-29(36)32(25)39-35(44)47/h5-7,18-19,21,27-28,30H,2-4,8-17,20,22H2,1H3,(H,37,40)(H,38,46)(H,39,47)/t30-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.0130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research & Development
Curated by ChEMBL
| Assay Description
Displacement of [I125]CGRP from CGRP receptor in human SK-N-MC cell membrane after 2 hrs by gamma or scintillation counting |
Bioorg Med Chem Lett 22: 2917-21 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.065
BindingDB Entry DOI: 10.7270/Q2FQ9XN0 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50308541
(7-Methoxy-2-oxo-8-pentyloxy-1,2-dihydroquinoline-3...)Show SMILES CCCCCOc1c(OC)ccc2cc(C(=O)NCCc3ccc(F)cc3)c(=O)[nH]c12 Show InChI InChI=1S/C24H27FN2O4/c1-3-4-5-14-31-22-20(30-2)11-8-17-15-19(24(29)27-21(17)22)23(28)26-13-12-16-6-9-18(25)10-7-16/h6-11,15H,3-5,12-14H2,1-2H3,(H,26,28)(H,27,29) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.0190 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Zhejiang University
Curated by ChEMBL
| Assay Description
Binding affinity to CB2 receptor (unknown origin) |
Eur J Med Chem 93: 16-32 (2015)
Article DOI: 10.1016/j.ejmech.2015.01.054
BindingDB Entry DOI: 10.7270/Q28P626S |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50308541
(7-Methoxy-2-oxo-8-pentyloxy-1,2-dihydroquinoline-3...)Show SMILES CCCCCOc1c(OC)ccc2cc(C(=O)NCCc3ccc(F)cc3)c(=O)[nH]c12 Show InChI InChI=1S/C24H27FN2O4/c1-3-4-5-14-31-22-20(30-2)11-8-17-15-19(24(29)27-21(17)22)23(28)26-13-12-16-6-9-18(25)10-7-16/h6-11,15H,3-5,12-14H2,1-2H3,(H,26,28)(H,27,29) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.0190 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Zhejiang University
Curated by ChEMBL
| Assay Description
Binding affinity to CB2 receptor (unknown origin) |
Eur J Med Chem 93: 16-32 (2015)
Article DOI: 10.1016/j.ejmech.2015.01.054
BindingDB Entry DOI: 10.7270/Q28P626S |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50353091
(CHEMBL1822944)Show SMILES CCOc1c(OC)ccc2cc(C(=O)NCCc3ccncc3)c(=O)[nH]c12 Show InChI InChI=1S/C20H21N3O4/c1-3-27-18-16(26-2)5-4-14-12-15(20(25)23-17(14)18)19(24)22-11-8-13-6-9-21-10-7-13/h4-7,9-10,12H,3,8,11H2,1-2H3,(H,22,24)(H,23,25) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.0200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Zhejiang University
Curated by ChEMBL
| Assay Description
Binding affinity to CB2 receptor (unknown origin) |
Eur J Med Chem 93: 16-32 (2015)
Article DOI: 10.1016/j.ejmech.2015.01.054
BindingDB Entry DOI: 10.7270/Q28P626S |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50353091
(CHEMBL1822944)Show SMILES CCOc1c(OC)ccc2cc(C(=O)NCCc3ccncc3)c(=O)[nH]c12 Show InChI InChI=1S/C20H21N3O4/c1-3-27-18-16(26-2)5-4-14-12-15(20(25)23-17(14)18)19(24)22-11-8-13-6-9-21-10-7-13/h4-7,9-10,12H,3,8,11H2,1-2H3,(H,22,24)(H,23,25) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.0200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Zhejiang University
Curated by ChEMBL
| Assay Description
Binding affinity to CB2 receptor (unknown origin) |
Eur J Med Chem 93: 16-32 (2015)
Article DOI: 10.1016/j.ejmech.2015.01.054
BindingDB Entry DOI: 10.7270/Q28P626S |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50073061
(CHEMBL3410832)Show SMILES CCCCCOc1c(OC)ccc2cc(C(=O)NCCc3ccc(F)cc3)c(=O)n(C)c12 Show InChI InChI=1S/C25H29FN2O4/c1-4-5-6-15-32-23-21(31-3)12-9-18-16-20(25(30)28(2)22(18)23)24(29)27-14-13-17-7-10-19(26)11-8-17/h7-12,16H,4-6,13-15H2,1-3H3,(H,27,29) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.0210 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Zhejiang University
Curated by ChEMBL
| Assay Description
Binding affinity to CB2 receptor (unknown origin) |
Eur J Med Chem 93: 16-32 (2015)
Article DOI: 10.1016/j.ejmech.2015.01.054
BindingDB Entry DOI: 10.7270/Q28P626S |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50243592
(1-(4-methoxyphenyl)-6-(4-(1-(pyrrolidin-1-ylmethyl...)Show SMILES COc1ccc(cc1)-n1nc(c2CCN(C(=O)c12)c1ccc(cc1)C1(CN2CCCC2)CC1)C(F)(F)F Show InChI InChI=1S/C28H29F3N4O2/c1-37-22-10-8-21(9-11-22)35-24-23(25(32-35)28(29,30)31)12-17-34(26(24)36)20-6-4-19(5-7-20)27(13-14-27)18-33-15-2-3-16-33/h4-11H,2-3,12-18H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| MMDB
PDB
Article
PubMed
| 0.0210 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Co.
Curated by ChEMBL
| Assay Description
Inhibition of human factor 10a |
Bioorg Med Chem Lett 18: 4118-23 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.095
BindingDB Entry DOI: 10.7270/Q20Z7322 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50073061
(CHEMBL3410832)Show SMILES CCCCCOc1c(OC)ccc2cc(C(=O)NCCc3ccc(F)cc3)c(=O)n(C)c12 Show InChI InChI=1S/C25H29FN2O4/c1-4-5-6-15-32-23-21(31-3)12-9-18-16-20(25(30)28(2)22(18)23)24(29)27-14-13-17-7-10-19(26)11-8-17/h7-12,16H,4-6,13-15H2,1-3H3,(H,27,29) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.0210 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Zhejiang University
Curated by ChEMBL
| Assay Description
Binding affinity to CB2 receptor (unknown origin) |
Eur J Med Chem 93: 16-32 (2015)
Article DOI: 10.1016/j.ejmech.2015.01.054
BindingDB Entry DOI: 10.7270/Q28P626S |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM86549
(CAS_213055 | NSC_213055 | TRK-820)Show SMILES CN(C1CCC2(O)C3Cc4ccc(O)c5OC1C2(CCN3CC1CC1)c45)C(=O)C=Cc1ccoc1 Show InChI InChI=1S/C28H32N2O5/c1-29(23(32)7-4-18-9-13-34-16-18)20-8-10-28(33)22-14-19-5-6-21(31)25-24(19)27(28,26(20)35-25)11-12-30(22)15-17-2-3-17/h4-7,9,13,16-17,20,22,26,31,33H,2-3,8,10-12,14-15H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.0250 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Temple University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 312: 220-30 (2005)
Article DOI: 10.1124/jpet.104.073668
BindingDB Entry DOI: 10.7270/Q26T0K6G |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50243668
(1-(4-methoxyphenyl)-6-(4-(1-((2-methyl-1H-imidazol...)Show SMILES COc1ccc(cc1)-n1nc(c2CCN(C(=O)c12)c1ccc(cc1)C1(Cn2ccnc2C)CC1)C(F)(F)F Show InChI InChI=1S/C28H26F3N5O2/c1-18-32-14-16-34(18)17-27(12-13-27)19-3-5-20(6-4-19)35-15-11-23-24(26(35)37)36(33-25(23)28(29,30)31)21-7-9-22(38-2)10-8-21/h3-10,14,16H,11-13,15,17H2,1-2H3 | PDB
MMDB
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| 0.0250 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Co.
Curated by ChEMBL
| Assay Description
Inhibition of human factor 10a |
Bioorg Med Chem Lett 18: 4118-23 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.095
BindingDB Entry DOI: 10.7270/Q20Z7322 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50073068
(CHEMBL3410813)Show SMILES CCCCCOc1ccc2cc(C(=O)NCCc3ccc(F)cc3)c(=O)[nH]c2c1OCCCCC Show InChI InChI=1S/C28H35FN2O4/c1-3-5-7-17-34-24-14-11-21-19-23(27(32)30-16-15-20-9-12-22(29)13-10-20)28(33)31-25(21)26(24)35-18-8-6-4-2/h9-14,19H,3-8,15-18H2,1-2H3,(H,30,32)(H,31,33) | PDB
Reactome pathway
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| 0.0260 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Zhejiang University
Curated by ChEMBL
| Assay Description
Binding affinity to CB2 receptor (unknown origin) |
Eur J Med Chem 93: 16-32 (2015)
Article DOI: 10.1016/j.ejmech.2015.01.054
BindingDB Entry DOI: 10.7270/Q28P626S |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50073068
(CHEMBL3410813)Show SMILES CCCCCOc1ccc2cc(C(=O)NCCc3ccc(F)cc3)c(=O)[nH]c2c1OCCCCC Show InChI InChI=1S/C28H35FN2O4/c1-3-5-7-17-34-24-14-11-21-19-23(27(32)30-16-15-20-9-12-22(29)13-10-20)28(33)31-25(21)26(24)35-18-8-6-4-2/h9-14,19H,3-8,15-18H2,1-2H3,(H,30,32)(H,31,33) | PDB
Reactome pathway
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| 0.0260 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Zhejiang University
Curated by ChEMBL
| Assay Description
Binding affinity to CB2 receptor (unknown origin) |
Eur J Med Chem 93: 16-32 (2015)
Article DOI: 10.1016/j.ejmech.2015.01.054
BindingDB Entry DOI: 10.7270/Q28P626S |
More data for this
Ligand-Target Pair | |
Calcitonin gene-related peptide type 1 receptor
(Homo sapiens (Human)) | BDBM50400098
(CHEMBL2178422)Show SMILES N[C@H]1[C@@H](CC[C@@H](OC(=O)N2CCC(CC2)n2c3cccnc3[nH]c2=O)c2ncccc12)c1cccc(F)c1F Show InChI InChI=1S/C28H28F2N6O3/c29-20-6-1-4-17(23(20)30)18-8-9-22(25-19(24(18)31)5-2-12-32-25)39-28(38)35-14-10-16(11-15-35)36-21-7-3-13-33-26(21)34-27(36)37/h1-7,12-13,16,18,22,24H,8-11,14-15,31H2,(H,33,34,37)/t18-,22+,24-/m0/s1 | PDB
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| 0.0270 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research & Development
Curated by ChEMBL
| Assay Description
Displacement of [125I]-CGRP from CGRP receptor in human SK-N-MC cells after 2 hrs by gamma scintillation counter analysis |
J Med Chem 55: 10644-51 (2012)
Article DOI: 10.1021/jm3013147
BindingDB Entry DOI: 10.7270/Q2M046M8 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50243536
(CHEMBL4062749)Show SMILES Cc1c(nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(OS(=O)(=O)CCC(F)(F)F)cc1)C(=O)N[C@@H]1CCCC[C@@H]1O Show InChI InChI=1S/C26H26Cl2F3N3O5S/c1-15-23(25(36)32-21-4-2-3-5-22(21)35)33-24(19-11-6-16(27)14-20(19)28)34(15)17-7-9-18(10-8-17)39-40(37,38)13-12-26(29,30)31/h6-11,14,21-22,35H,2-5,12-13H2,1H3,(H,32,36)/t21-,22+/m1/s1 | PDB
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| 0.0270 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Leiden University
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from recombinant human CB1 receptor expressed in beta-galactosidase expressing CHOK1 cell membranes after 60 mins by scin... |
J Med Chem 60: 9545-9564 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00861
BindingDB Entry DOI: 10.7270/Q2X92DQ7 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50377637
(CHEMBL257398)Show SMILES Cc1ccc(NC(=O)c2ccc(cc2)-n2ccccc2=O)c(c1)C(=O)Nc1ccc(Cl)cn1 Show InChI InChI=1S/C25H19ClN4O3/c1-16-5-11-21(20(14-16)25(33)29-22-12-8-18(26)15-27-22)28-24(32)17-6-9-19(10-7-17)30-13-3-2-4-23(30)31/h2-15H,1H3,(H,28,32)(H,27,29,33) | PDB
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| 0.0280 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of human factor 10a |
Bioorg Med Chem Lett 18: 2845-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.092
BindingDB Entry DOI: 10.7270/Q2611169 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50451113
(CHEMBL2114068)Show SMILES COc1ccc(cc1)[S@+]([O-])c1ccc(cc1)C(=C)C1CCN(CC1)C1CCCCC1 Show InChI InChI=1S/C26H33NO2S/c1-20(22-16-18-27(19-17-22)23-6-4-3-5-7-23)21-8-12-25(13-9-21)30(28)26-14-10-24(29-2)11-15-26/h8-15,22-23H,1,3-7,16-19H2,2H3/t30-/m1/s1 | PDB
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| 0.0300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity against Muscarinic acetylcholine receptor M2 |
Bioorg Med Chem Lett 10: 2209-12 (2001)
Article DOI: 10.1016/s0960-894x(00)00437-6
BindingDB Entry DOI: 10.7270/Q24T6HMP |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50095111
(4-{(4R,5R)-2-[4-(Benzo[1,3]dioxole-5-sulfonyl)-phe...)Show SMILES CCOC(=O)N1CCC(CC1)N1CCC(CC1)C1(O[C@H](C)[C@@H](C)O1)c1ccc(cc1)S(=O)(=O)c1ccc2OCOc2c1 Show InChI InChI=1S/C31H40N2O8S/c1-4-37-30(34)33-17-13-25(14-18-33)32-15-11-24(12-16-32)31(40-21(2)22(3)41-31)23-5-7-26(8-6-23)42(35,36)27-9-10-28-29(19-27)39-20-38-28/h5-10,19,21-22,24-25H,4,11-18,20H2,1-3H3/t21-,22-/m1/s1 | PDB
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| 0.0300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity at human cloned acetylcholine receptor M2 in CHO cells. |
Bioorg Med Chem Lett 10: 2727-30 (2000)
Article DOI: 10.1016/s0960-894x(00)00553-9
BindingDB Entry DOI: 10.7270/Q2V40TGZ |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM12693
(1-(3-amino-1,2-benzoxazol-5-yl)-6-[4-(2-{[(3R)-3-h...)Show SMILES Nc1noc2ccc(cc12)-n1nc(c2CCN(C(=O)c12)c1ccc(cc1)-c1ccccc1CN1CC[C@@H](O)C1)C(F)(F)F Show InChI InChI=1S/C31H27F3N6O3/c32-31(33,34)28-24-12-14-39(30(42)27(24)40(36-28)21-9-10-26-25(15-21)29(35)37-43-26)20-7-5-18(6-8-20)23-4-2-1-3-19(23)16-38-13-11-22(41)17-38/h1-10,15,22,41H,11-14,16-17H2,(H2,35,37)/t22-/m1/s1 | PDB
MMDB
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Article
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| 0.0300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Co.
Curated by ChEMBL
| Assay Description
Inhibition of factor 10a |
J Med Chem 53: 6243-74 (2010)
Article DOI: 10.1021/jm100146h
BindingDB Entry DOI: 10.7270/Q2CR5VBB |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50095097
(4-{2-[4-(Benzo[1,3]dioxole-5-sulfonyl)-phenyl]-[1,...)Show SMILES CCCS(=O)(=O)N1CCC(CC1)N1CCC(CC1)C1(SCCS1)c1ccc(cc1)S(=O)(=O)c1ccc2OCOc2c1 Show InChI InChI=1S/C29H38N2O6S4/c1-2-19-40(32,33)31-15-11-24(12-16-31)30-13-9-23(10-14-30)29(38-17-18-39-29)22-3-5-25(6-4-22)41(34,35)26-7-8-27-28(20-26)37-21-36-27/h3-8,20,23-24H,2,9-19,21H2,1H3 | PDB
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| 0.0310 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity at human cloned acetylcholine receptor M2 in CHO cells. |
Bioorg Med Chem Lett 10: 2727-30 (2000)
Article DOI: 10.1016/s0960-894x(00)00553-9
BindingDB Entry DOI: 10.7270/Q2V40TGZ |
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(BtCoV) | BDBM420298
(PF-00835231 | WO2005113580-Ex-02)Show SMILES COc1cccc2[nH]c(cc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)CO Show InChI InChI=1S/C24H32N4O6/c1-13(2)9-18(23(32)27-17(20(30)12-29)10-14-7-8-25-22(14)31)28-24(33)19-11-15-16(26-19)5-4-6-21(15)34-3/h4-6,11,13-14,17-18,26,29H,7-10,12H2,1-3H3,(H,25,31)(H,27,32)(H,28,33)/t14-,17-,18-/m0/s1 | UniProtKB/SwissProt
GoogleScholar
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| 0.0330 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
| Assay Description
PF-00835231 was evaluated against 3CLpro from a variety of other coronaviruses representing alpha, beta and gamma groups of Coronaviridae, using bioc... |
bioRxiv (2020)
BindingDB Entry DOI: 10.7270/Q2VQ352Q |
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(BtCoV) | BDBM420298
(PF-00835231 | WO2005113580-Ex-02)Show SMILES COc1cccc2[nH]c(cc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)CO Show InChI InChI=1S/C24H32N4O6/c1-13(2)9-18(23(32)27-17(20(30)12-29)10-14-7-8-25-22(14)31)28-24(33)19-11-15-16(26-19)5-4-6-21(15)34-3/h4-6,11,13-14,17-18,26,29H,7-10,12H2,1-3H3,(H,25,31)(H,27,32)(H,28,33)/t14-,17-,18-/m0/s1 | PDB
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| 0.0340 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
| Assay Description
PF-00835231 was evaluated against 3CLpro from a variety of other coronaviruses representing alpha, beta and gamma groups of Coronaviridae, using bioc... |
bioRxiv (2020)
BindingDB Entry DOI: 10.7270/Q2VQ352Q |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50243540
(6-(4-(1-((dimethylamino)methyl)cyclopropyl)phenyl)...)Show SMILES COc1ccc(cc1)-n1nc(c2CCN(C(=O)c12)c1ccc(cc1)C1(CN(C)C)CC1)C(F)(F)F Show InChI InChI=1S/C26H27F3N4O2/c1-31(2)16-25(13-14-25)17-4-6-18(7-5-17)32-15-12-21-22(24(32)34)33(30-23(21)26(27,28)29)19-8-10-20(35-3)11-9-19/h4-11H,12-16H2,1-3H3 | PDB
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| 0.0350 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Co.
Curated by ChEMBL
| Assay Description
Inhibition of human factor 10a |
Bioorg Med Chem Lett 18: 4118-23 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.095
BindingDB Entry DOI: 10.7270/Q20Z7322 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50243340
((R)-6-(4-(1-((3-hydroxypyrrolidin-1-yl)methyl)cycl...)Show SMILES COc1ccc(cc1)-n1nc(c2CCN(C(=O)c12)c1ccc(cc1)C1(CN2CC[C@@H](O)C2)CC1)C(F)(F)F Show InChI InChI=1S/C28H29F3N4O3/c1-38-22-8-6-20(7-9-22)35-24-23(25(32-35)28(29,30)31)11-15-34(26(24)37)19-4-2-18(3-5-19)27(12-13-27)17-33-14-10-21(36)16-33/h2-9,21,36H,10-17H2,1H3/t21-/m1/s1 | PDB
MMDB
Reactome pathway
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| 0.0380 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Co.
Curated by ChEMBL
| Assay Description
Inhibition of human factor 10a |
Bioorg Med Chem Lett 18: 4118-23 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.095
BindingDB Entry DOI: 10.7270/Q20Z7322 |
More data for this
Ligand-Target Pair | |
Vasopressin receptor
(RAT) | BDBM50205313
(CHEMBL265859 | d[Leu4]AVP)Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O Show InChI InChI=1S/C47H67N13O11S2/c1-26(2)20-31-41(66)58-34(23-37(48)62)44(69)59-35(46(71)60-18-7-11-36(60)45(70)55-30(10-6-17-52-47(50)51)40(65)53-24-38(49)63)25-73-72-19-16-39(64)54-32(22-28-12-14-29(61)15-13-28)42(67)57-33(43(68)56-31)21-27-8-4-3-5-9-27/h3-5,8-9,12-15,26,30-36,61H,6-7,10-11,16-25H2,1-2H3,(H2,48,62)(H2,49,63)(H,53,65)(H,54,64)(H,55,70)(H,56,68)(H,57,67)(H,58,66)(H,59,69)(H4,50,51,52)/t30-,31-,32-,33-,34-,35-,36-/m0/s1 | Reactome pathway
UniProtKB/SwissProt
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| 0.0400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Montpellier
Curated by ChEMBL
| Assay Description
Displacement of [3H]AVP from rat vasopressin V1b receptor expressed in At-T20 cells |
J Med Chem 50: 835-47 (2007)
Article DOI: 10.1021/jm060928n
BindingDB Entry DOI: 10.7270/Q2G161NH |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50243590
(6-(4-(1-((isopropylamino)methyl)cyclopropyl)phenyl...)Show SMILES COc1ccc(cc1)-n1nc(c2CCN(C(=O)c12)c1ccc(cc1)C1(CNC(C)C)CC1)C(F)(F)F Show InChI InChI=1S/C27H29F3N4O2/c1-17(2)31-16-26(13-14-26)18-4-6-19(7-5-18)33-15-12-22-23(25(33)35)34(32-24(22)27(28,29)30)20-8-10-21(36-3)11-9-20/h4-11,17,31H,12-16H2,1-3H3 | PDB
MMDB
Reactome pathway
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| 0.0420 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Co.
Curated by ChEMBL
| Assay Description
Inhibition of human factor 10a |
Bioorg Med Chem Lett 18: 4118-23 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.095
BindingDB Entry DOI: 10.7270/Q20Z7322 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50249295
(CHEMBL471725 | N-(5-chloropyridin-2-yl)-2-(4-(N,N-...)Show SMILES CN(C)C(=N)c1ccc(cc1)C(=O)Nc1ccccc1C(=O)Nc1ccc(Cl)cn1 Show InChI InChI=1S/C22H20ClN5O2/c1-28(2)20(24)14-7-9-15(10-8-14)21(29)26-18-6-4-3-5-17(18)22(30)27-19-12-11-16(23)13-25-19/h3-13,24H,1-2H3,(H,26,29)(H,25,27,30) | PDB
MMDB
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| 0.0440 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Co.
Curated by ChEMBL
| Assay Description
Inhibition of factor 10a |
J Med Chem 53: 6243-74 (2010)
Article DOI: 10.1021/jm100146h
BindingDB Entry DOI: 10.7270/Q2CR5VBB |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50193861
(5-chloro-N-(5-chloro-pyridin-2-yl)-2-[4-(N,N-dimet...)Show SMILES CN(C)C(=N)c1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1 Show InChI InChI=1S/C22H19Cl2N5O2/c1-29(2)20(25)13-3-5-14(6-4-13)21(30)27-18-9-7-15(23)11-17(18)22(31)28-19-10-8-16(24)12-26-19/h3-12,25H,1-2H3,(H,27,30)(H,26,28,31) | PDB
MMDB
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| 0.0440 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Co.
Curated by ChEMBL
| Assay Description
Inhibition of factor 10a |
J Med Chem 53: 6243-74 (2010)
Article DOI: 10.1021/jm100146h
BindingDB Entry DOI: 10.7270/Q2CR5VBB |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50080514
(3-[(R)-3-(7-Methoxy-naphthalene-2-sulfonylamino)-2...)Show SMILES COc1ccc2ccc(cc2c1)S(=O)(=O)N[C@@H]1CCN(Cc2cccc(c2)C(N)=N)C1=O Show InChI InChI=1S/C23H24N4O4S/c1-31-19-7-5-16-6-8-20(13-18(16)12-19)32(29,30)26-21-9-10-27(23(21)28)14-15-3-2-4-17(11-15)22(24)25/h2-8,11-13,21,26H,9-10,14H2,1H3,(H3,24,25)/t21-/m1/s1 | PDB
MMDB
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| 0.0470 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rh£ne-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Compound was evaluated for the inhibition of human Coagulation factor Xa |
J Med Chem 42: 3557-71 (1999)
Article DOI: 10.1021/jm990040h
BindingDB Entry DOI: 10.7270/Q2M04640 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50377629
(CHEMBL260086)Show SMILES Oc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1ccc(cc1)N1CCCCC1=O Show InChI InChI=1S/C24H20Cl2N4O4/c25-15-6-9-20(27-13-15)28-24(34)18-11-16(26)12-19(31)22(18)29-23(33)14-4-7-17(8-5-14)30-10-2-1-3-21(30)32/h4-9,11-13,31H,1-3,10H2,(H,29,33)(H,27,28,34) | PDB
MMDB
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| 0.0470 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of human factor 10a |
Bioorg Med Chem Lett 18: 2845-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.092
BindingDB Entry DOI: 10.7270/Q2611169 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50072968
(CHEMBL3410818)Show SMILES CCOc1c(OC)ccc2cc(C(=O)NCc3ccc4OCOc4c3)c(=O)[nH]c12 Show InChI InChI=1S/C21H20N2O6/c1-3-27-19-16(26-2)7-5-13-9-14(21(25)23-18(13)19)20(24)22-10-12-4-6-15-17(8-12)29-11-28-15/h4-9H,3,10-11H2,1-2H3,(H,22,24)(H,23,25) | PDB
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| 0.0530 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Zhejiang University
Curated by ChEMBL
| Assay Description
Binding affinity to CB2 receptor (unknown origin) |
Eur J Med Chem 93: 16-32 (2015)
Article DOI: 10.1016/j.ejmech.2015.01.054
BindingDB Entry DOI: 10.7270/Q28P626S |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50072968
(CHEMBL3410818)Show SMILES CCOc1c(OC)ccc2cc(C(=O)NCc3ccc4OCOc4c3)c(=O)[nH]c12 Show InChI InChI=1S/C21H20N2O6/c1-3-27-19-16(26-2)7-5-13-9-14(21(25)23-18(13)19)20(24)22-10-12-4-6-15-17(8-12)29-11-28-15/h4-9H,3,10-11H2,1-2H3,(H,22,24)(H,23,25) | PDB
Reactome pathway
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| 0.0530 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Zhejiang University
Curated by ChEMBL
| Assay Description
Binding affinity to CB2 receptor (unknown origin) |
Eur J Med Chem 93: 16-32 (2015)
Article DOI: 10.1016/j.ejmech.2015.01.054
BindingDB Entry DOI: 10.7270/Q28P626S |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50243630
(1-(4-methoxyphenyl)-6-(4-(1-((thiazol-2-ylamino)me...)Show SMILES COc1ccc(cc1)-n1nc(c2CCN(C(=O)c12)c1ccc(cc1)C1(CNc2nccs2)CC1)C(F)(F)F Show InChI InChI=1S/C27H24F3N5O2S/c1-37-20-8-6-19(7-9-20)35-22-21(23(33-35)27(28,29)30)10-14-34(24(22)36)18-4-2-17(3-5-18)26(11-12-26)16-32-25-31-13-15-38-25/h2-9,13,15H,10-12,14,16H2,1H3,(H,31,32) | PDB
MMDB
Reactome pathway
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| 0.0540 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Co.
Curated by ChEMBL
| Assay Description
Inhibition of human factor 10a |
Bioorg Med Chem Lett 18: 4118-23 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.095
BindingDB Entry DOI: 10.7270/Q20Z7322 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50243669
(CHEMBL511486 | N-((1-(4-(1-(4-methoxyphenyl)-7-oxo...)Show SMILES COc1ccc(cc1)-n1nc(c2CCN(C(=O)c12)c1ccc(cc1)C1(CN(C)C(C)=O)CC1)C(F)(F)F Show InChI InChI=1S/C27H27F3N4O3/c1-17(35)32(2)16-26(13-14-26)18-4-6-19(7-5-18)33-15-12-22-23(25(33)36)34(31-24(22)27(28,29)30)20-8-10-21(37-3)11-9-20/h4-11H,12-16H2,1-3H3 | PDB
MMDB
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| 0.0550 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Co.
Curated by ChEMBL
| Assay Description
Inhibition of human factor 10a |
Bioorg Med Chem Lett 18: 4118-23 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.095
BindingDB Entry DOI: 10.7270/Q20Z7322 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50328717
(5-Chloro-N-(5-chloro-pyridin-2-yl)-3-methoxy-2-[4-...)Show SMILES COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1ccc(cc1)N1CCCCC1=O Show InChI InChI=1S/C25H22Cl2N4O4/c1-35-20-13-17(27)12-19(25(34)29-21-10-7-16(26)14-28-21)23(20)30-24(33)15-5-8-18(9-6-15)31-11-3-2-4-22(31)32/h5-10,12-14H,2-4,11H2,1H3,(H,30,33)(H,28,29,34) | PDB
MMDB
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| 0.0570 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of human factor 10a |
Bioorg Med Chem Lett 18: 2845-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.092
BindingDB Entry DOI: 10.7270/Q2611169 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50451114
(CHEMBL2115128)Show SMILES COc1ccc(cc1)[S@@+]([O-])c1ccc(cc1)C(=C)C1CCN(CC1)C1CCCCC1 Show InChI InChI=1S/C26H33NO2S/c1-20(22-16-18-27(19-17-22)23-6-4-3-5-7-23)21-8-12-25(13-9-21)30(28)26-14-10-24(29-2)11-15-26/h8-15,22-23H,1,3-7,16-19H2,2H3/t30-/m0/s1 | PDB
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| 0.0570 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity against Muscarinic acetylcholine receptor M2 |
Bioorg Med Chem Lett 10: 2209-12 (2001)
Article DOI: 10.1016/s0960-894x(00)00437-6
BindingDB Entry DOI: 10.7270/Q24T6HMP |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50328717
(5-Chloro-N-(5-chloro-pyridin-2-yl)-3-methoxy-2-[4-...)Show SMILES COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1ccc(cc1)N1CCCCC1=O Show InChI InChI=1S/C25H22Cl2N4O4/c1-35-20-13-17(27)12-19(25(34)29-21-10-7-16(26)14-28-21)23(20)30-24(33)15-5-8-18(9-6-15)31-11-3-2-4-22(31)32/h5-10,12-14H,2-4,11H2,1H3,(H,30,33)(H,28,29,34) | PDB
MMDB
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| 0.0570 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Co.
Curated by ChEMBL
| Assay Description
Inhibition of factor 10a |
J Med Chem 53: 6243-74 (2010)
Article DOI: 10.1021/jm100146h
BindingDB Entry DOI: 10.7270/Q2CR5VBB |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50377638
(CHEMBL257400)Show SMILES Clc1ccc(NC(=O)c2cc(Cl)ccc2NC(=O)c2ccc(cc2)-n2ccccc2=O)nc1 Show InChI InChI=1S/C24H16Cl2N4O3/c25-16-6-10-20(19(13-16)24(33)29-21-11-7-17(26)14-27-21)28-23(32)15-4-8-18(9-5-15)30-12-2-1-3-22(30)31/h1-14H,(H,28,32)(H,27,29,33) | PDB
MMDB
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| 0.0600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of human factor 10a |
Bioorg Med Chem Lett 18: 2845-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.092
BindingDB Entry DOI: 10.7270/Q2611169 |
More data for this
Ligand-Target Pair | |
Coagulation factor III/Factor VIIa (fVIIa)
(Homo sapiens (Human)) | BDBM50192770
(CHEMBL3956096)Show SMILES C[C@H]1COC(=O)Nc2ccc(c(CN(C)C(=O)[C@H](Nc3ccc4c(N)ncc(F)c4c3)c3ccc1c(C)c3)c2)C1(CCCCC1)C(O)=O Show InChI InChI=1S/C37H40FN5O5/c1-21-15-23-7-10-27(21)22(2)20-48-36(47)42-25-9-12-30(37(35(45)46)13-5-4-6-14-37)24(16-25)19-43(3)34(44)32(23)41-26-8-11-28-29(17-26)31(38)18-40-33(28)39/h7-12,15-18,22,32,41H,4-6,13-14,19-20H2,1-3H3,(H2,39,40)(H,42,47)(H,45,46)/t22-,32+/m0/s1 | PDB
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| PDB
Article
PubMed
| 0.0600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research & Development
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human TF-factor 7a using factor 10 as substrate at 37 degC |
Bioorg Med Chem Lett 26: 5051-5057 (2016)
Article DOI: 10.1016/j.bmcl.2016.08.088
BindingDB Entry DOI: 10.7270/Q24X59Q6 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50332270
((R)-3-((4-((6-methoxy-1-oxoisoindolin-2-yl)methyl)...)Show SMILES COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3cccc(c3)C#N)C(=O)c2c1 Show InChI InChI=1S/C22H16N4O4/c1-30-17-6-5-16-12-26(19(27)18(16)10-17)13-22(20(28)24-21(29)25-22)8-7-14-3-2-4-15(9-14)11-23/h2-6,9-10H,12-13H2,1H3,(H2,24,25,28,29)/t22-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
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PubMed
| 0.0600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of TACE |
Bioorg Med Chem Lett 20: 7283-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.10.081
BindingDB Entry DOI: 10.7270/Q2Z89CP0 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50243589
(CHEMBL4095223)Show SMILES Cc1c(nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(OS(=O)(=O)CCCC(F)(F)F)cc1)C(=O)NN1CCCCC1 Show InChI InChI=1S/C26H27Cl2F3N4O4S/c1-17-23(25(36)33-34-13-3-2-4-14-34)32-24(21-11-6-18(27)16-22(21)28)35(17)19-7-9-20(10-8-19)39-40(37,38)15-5-12-26(29,30)31/h6-11,16H,2-5,12-15H2,1H3,(H,33,36) | PDB
NCI pathway
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PubMed
| 0.0620 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Leiden University
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from recombinant human CB1 receptor expressed in beta-galactosidase expressing CHOK1 cell membranes after 60 mins by scin... |
J Med Chem 60: 9545-9564 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00861
BindingDB Entry DOI: 10.7270/Q2X92DQ7 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50243628
(1-(4-methoxyphenyl)-6-(4-(1-(morpholinomethyl)cycl...)Show SMILES COc1ccc(cc1)-n1nc(c2CCN(C(=O)c12)c1ccc(cc1)C1(CN2CCOCC2)CC1)C(F)(F)F Show InChI InChI=1S/C28H29F3N4O3/c1-37-22-8-6-21(7-9-22)35-24-23(25(32-35)28(29,30)31)10-13-34(26(24)36)20-4-2-19(3-5-20)27(11-12-27)18-33-14-16-38-17-15-33/h2-9H,10-18H2,1H3 | PDB
MMDB
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KEGG
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| 0.0640 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Co.
Curated by ChEMBL
| Assay Description
Inhibition of human factor 10a |
Bioorg Med Chem Lett 18: 4118-23 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.095
BindingDB Entry DOI: 10.7270/Q20Z7322 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50377628
(CHEMBL261536)Show SMILES CN(C)CCOc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1ccc(cc1)N1CCCCC1=O Show InChI InChI=1S/C28H29Cl2N5O4/c1-34(2)13-14-39-23-16-20(30)15-22(28(38)32-24-11-8-19(29)17-31-24)26(23)33-27(37)18-6-9-21(10-7-18)35-12-4-3-5-25(35)36/h6-11,15-17H,3-5,12-14H2,1-2H3,(H,33,37)(H,31,32,38) | PDB
MMDB
Reactome pathway
KEGG
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PubMed
| 0.0650 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of human factor 10a |
Bioorg Med Chem Lett 18: 2845-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.092
BindingDB Entry DOI: 10.7270/Q2611169 |
More data for this
Ligand-Target Pair | |
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