BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 264 hits from Beijing University of Technology   
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
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM3032
PNG
(CHEMBL1204168 | CHEMBL29197 | N-(3-bromophenyl)-6,...)
Show SMILES COc1cc2ncnc(Nc3cccc(Br)c3)c2cc1OC
Show InChI InChI=1S/C16H14BrN3O2/c1-21-14-7-12-13(8-15(14)22-2)18-9-19-16(12)20-11-5-3-4-10(17)6-11/h3-9H,1-2H3,(H,18,19,20)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 0.0250n/an/an/an/an/an/a



Beijing University of Technology

Curated by ChEMBL


Assay Description
Competitive binding affinity to EGFR (unknown origin) ATP binding site


Bioorg Med Chem 24: 2871-2881 (2016)


Article DOI: 10.1016/j.bmc.2016.01.003
BindingDB Entry DOI: 10.7270/Q2NP269P
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50121838
PNG
((R)-3-cyclopropyl-2-((3S,4S)-3-((4-(3,3-difluoro-3...)
Show SMILES OC(=O)[C@@H](CC1CC1)N1C[C@H](CN2CCC(CCC(F)(F)c3ccc(F)cc3)CC2)[C@H](C1)c1cccc(F)c1
Show InChI InChI=1S/C31H38F4N2O2/c32-26-8-6-25(7-9-26)31(34,35)13-10-21-11-14-36(15-12-21)18-24-19-37(29(30(38)39)16-22-4-5-22)20-28(24)23-2-1-3-27(33)17-23/h1-3,6-9,17,21-22,24,28-29H,4-5,10-16,18-20H2,(H,38,39)/t24-,28+,29+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 0.0600n/an/an/an/an/an/a



Beijing University of Technology

Curated by ChEMBL


Assay Description
Displacement of [125I]MIP1alpha from human CCR5 expressed in CHO cells


Eur J Med Chem 43: 2724-34 (2008)


Article DOI: 10.1016/j.ejmech.2008.01.040
BindingDB Entry DOI: 10.7270/Q2G44Q3W
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50119349
PNG
((R)-2-cyclobutyl-2-((3S,4S)-3-phenyl-4-((4-(3-phen...)
Show SMILES OC(=O)[C@@H](C1CCC1)N1C[C@H](CN2CCC(CCCc3ccccc3)CC2)[C@H](C1)c1ccccc1
Show InChI InChI=1S/C31H42N2O2/c34-31(35)30(27-15-8-16-27)33-22-28(29(23-33)26-13-5-2-6-14-26)21-32-19-17-25(18-20-32)12-7-11-24-9-3-1-4-10-24/h1-6,9-10,13-14,25,27-30H,7-8,11-12,15-23H2,(H,34,35)/t28-,29+,30+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 0.100n/an/an/an/an/an/a



Beijing University of Technology

Curated by ChEMBL


Assay Description
Displacement of [125I]MIP1alpha from human CCR5 expressed in CHO cells


Eur J Med Chem 43: 2724-34 (2008)


Article DOI: 10.1016/j.ejmech.2008.01.040
BindingDB Entry DOI: 10.7270/Q2G44Q3W
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50121836
PNG
((R)-3-Cyclobutyl-2-((S)-3-(3-fluoro-phenyl)-4-{4-[...)
Show SMILES OC(=O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(CCSc3ccc(F)cc3)CC2)[C@H](C1)c1cccc(F)c1
Show InChI InChI=1S/C31H40F2N2O2S/c32-26-7-9-28(10-8-26)38-16-13-22-11-14-34(15-12-22)19-25-20-35(30(31(36)37)17-23-3-1-4-23)21-29(25)24-5-2-6-27(33)18-24/h2,5-10,18,22-23,25,29-30H,1,3-4,11-17,19-21H2,(H,36,37)/t25-,29+,30+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 0.100n/an/an/an/an/an/a



Beijing University of Technology

Curated by ChEMBL


Assay Description
Displacement of [125I]MIP1alpha from human CCR5 expressed in CHO cells


Eur J Med Chem 43: 2724-34 (2008)


Article DOI: 10.1016/j.ejmech.2008.01.040
BindingDB Entry DOI: 10.7270/Q2G44Q3W
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50119341
PNG
((R)-3-cyclopropyl-2-((3S,4S)-3-phenyl-4-((4-(3-phe...)
Show SMILES OC(=O)[C@@H](CC1CC1)N1C[C@H](CN2CCC(CCCc3ccccc3)CC2)[C@H](C1)c1ccccc1
Show InChI InChI=1S/C31H42N2O2/c34-31(35)30(20-26-14-15-26)33-22-28(29(23-33)27-12-5-2-6-13-27)21-32-18-16-25(17-19-32)11-7-10-24-8-3-1-4-9-24/h1-6,8-9,12-13,25-26,28-30H,7,10-11,14-23H2,(H,34,35)/t28-,29+,30+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.100n/an/an/an/an/an/a



Beijing University of Technology

Curated by ChEMBL


Assay Description
Displacement of [125I]MIP1alpha from human CCR5 expressed in CHO cells


Eur J Med Chem 43: 2724-34 (2008)


Article DOI: 10.1016/j.ejmech.2008.01.040
BindingDB Entry DOI: 10.7270/Q2G44Q3W
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50119342
PNG
((R)-2-cyclopentyl-2-((3S,4S)-3-phenyl-4-((4-(3-phe...)
Show SMILES OC(=O)[C@@H](C1CCCC1)N1C[C@H](CN2CCC(CCCc3ccccc3)CC2)[C@H](C1)c1ccccc1
Show InChI InChI=1S/C32H44N2O2/c35-32(36)31(28-16-7-8-17-28)34-23-29(30(24-34)27-14-5-2-6-15-27)22-33-20-18-26(19-21-33)13-9-12-25-10-3-1-4-11-25/h1-6,10-11,14-15,26,28-31H,7-9,12-13,16-24H2,(H,35,36)/t29-,30+,31+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 0.200n/an/an/an/an/an/a



Beijing University of Technology

Curated by ChEMBL


Assay Description
Displacement of [125I]MIP1alpha from human CCR5 expressed in CHO cells


Eur J Med Chem 43: 2724-34 (2008)


Article DOI: 10.1016/j.ejmech.2008.01.040
BindingDB Entry DOI: 10.7270/Q2G44Q3W
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50121833
PNG
((R)-3-cyclobutyl-2-((3S,4S)-3-((4-(3,3-difluoro-3-...)
Show SMILES OC(=O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(CCC(F)(F)c3ccc(F)cc3)CC2)[C@H](C1)c1ccccc1
Show InChI InChI=1S/C32H41F3N2O2/c33-28-11-9-27(10-12-28)32(34,35)16-13-23-14-17-36(18-15-23)20-26-21-37(22-29(26)25-7-2-1-3-8-25)30(31(38)39)19-24-5-4-6-24/h1-3,7-12,23-24,26,29-30H,4-6,13-22H2,(H,38,39)/t26-,29+,30+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 0.200n/an/an/an/an/an/a



Beijing University of Technology

Curated by ChEMBL


Assay Description
Displacement of [125I]MIP1alpha from human CCR5 expressed in CHO cells


Eur J Med Chem 43: 2724-34 (2008)


Article DOI: 10.1016/j.ejmech.2008.01.040
BindingDB Entry DOI: 10.7270/Q2G44Q3W
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50121828
PNG
((R)-3-Cyclobutyl-2-((S)-3-(3-fluoro-phenyl)-4-{4-[...)
Show SMILES OC(=O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(CCCc3ccc(cc3)C(F)(F)F)CC2)[C@H](C1)c1cccc(F)c1
Show InChI InChI=1S/C33H42F4N2O2/c34-29-9-3-8-26(19-29)30-22-39(31(32(40)41)18-25-6-2-7-25)21-27(30)20-38-16-14-24(15-17-38)5-1-4-23-10-12-28(13-11-23)33(35,36)37/h3,8-13,19,24-25,27,30-31H,1-2,4-7,14-18,20-22H2,(H,40,41)/t27-,30+,31+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 0.200n/an/an/an/an/an/a



Beijing University of Technology

Curated by ChEMBL


Assay Description
Displacement of [125I]MIP1alpha from human CCR5 expressed in CHO cells


Eur J Med Chem 43: 2724-34 (2008)


Article DOI: 10.1016/j.ejmech.2008.01.040
BindingDB Entry DOI: 10.7270/Q2G44Q3W
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50119321
PNG
(1-(1-Cyclohexylmethyl-4-phenyl-pyrrolidin-3-ylmeth...)
Show SMILES OC1(CCCc2ccc(cc2)-c2nnn[nH]2)CCN(C[C@H]2CN(CC3CCCCC3)C[C@@H]2c2ccccc2)CC1
Show InChI InChI=1S/C33H46N6O/c40-33(17-7-10-26-13-15-29(16-14-26)32-34-36-37-35-32)18-20-38(21-19-33)23-30-24-39(22-27-8-3-1-4-9-27)25-31(30)28-11-5-2-6-12-28/h2,5-6,11-16,27,30-31,40H,1,3-4,7-10,17-25H2,(H,34,35,36,37)/t30-,31+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.200n/an/an/an/an/an/a



Beijing University of Technology

Curated by ChEMBL


Assay Description
Displacement of [125I]MIP1alpha from human CCR5 expressed in CHO cells


Eur J Med Chem 43: 2724-34 (2008)


Article DOI: 10.1016/j.ejmech.2008.01.040
BindingDB Entry DOI: 10.7270/Q2G44Q3W
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50249490
PNG
((R)-2-((3S,4S)-3-((4-(2-benzylthiazol-5-yl)piperid...)
Show SMILES OC(=O)[C@@H](CC1CC1)N1C[C@H](CN2CCC(CC2)c2cnc(Cc3ccccc3)s2)[C@H](C1)c1ccccc1
Show InChI InChI=1S/C32H39N3O2S/c36-32(37)29(17-24-11-12-24)35-21-27(28(22-35)25-9-5-2-6-10-25)20-34-15-13-26(14-16-34)30-19-33-31(38-30)18-23-7-3-1-4-8-23/h1-10,19,24,26-29H,11-18,20-22H2,(H,36,37)/t27-,28+,29+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.230n/an/an/an/an/an/a



Beijing University of Technology

Curated by ChEMBL


Assay Description
Displacement of [125I]MIP1alpha from human CCR5 expressed in CHO cells


Eur J Med Chem 43: 2724-34 (2008)


Article DOI: 10.1016/j.ejmech.2008.01.040
BindingDB Entry DOI: 10.7270/Q2G44Q3W
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50249365
PNG
((R)-2-((3S,4S)-3-((4-(2-benzylthiazol-5-yl)piperid...)
Show SMILES OC(=O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(CC2)c2cnc(Cc3ccccc3)s2)[C@H](C1)c1ccccc1
Show InChI InChI=1S/C33H41N3O2S/c37-33(38)30(18-24-10-7-11-24)36-22-28(29(23-36)26-12-5-2-6-13-26)21-35-16-14-27(15-17-35)31-20-34-32(39-31)19-25-8-3-1-4-9-25/h1-6,8-9,12-13,20,24,27-30H,7,10-11,14-19,21-23H2,(H,37,38)/t28-,29+,30+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.230n/an/an/an/an/an/a



Beijing University of Technology

Curated by ChEMBL


Assay Description
Displacement of [125I]MIP1alpha from human CCR5 expressed in CHO cells


Eur J Med Chem 43: 2724-34 (2008)


Article DOI: 10.1016/j.ejmech.2008.01.040
BindingDB Entry DOI: 10.7270/Q2G44Q3W
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50249465
PNG
((R)-2-((3S,4S)-3-((4-(2-benzylthiazol-5-yl)piperid...)
Show SMILES OC(=O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(CC2)c2cnc(Cc3ccccc3)s2)[C@H](C1)c1ccccc1
Show InChI InChI=1S/C34H43N3O2S/c38-34(39)33(28-14-8-3-9-15-28)37-23-29(30(24-37)26-12-6-2-7-13-26)22-36-18-16-27(17-19-36)31-21-35-32(40-31)20-25-10-4-1-5-11-25/h1-2,4-7,10-13,21,27-30,33H,3,8-9,14-20,22-24H2,(H,38,39)/t29-,30+,33+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.290n/an/an/an/an/an/a



Beijing University of Technology

Curated by ChEMBL


Assay Description
Displacement of [125I]MIP1alpha from human CCR5 expressed in CHO cells


Eur J Med Chem 43: 2724-34 (2008)


Article DOI: 10.1016/j.ejmech.2008.01.040
BindingDB Entry DOI: 10.7270/Q2G44Q3W
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50249269
PNG
((R)-3-cyclohexyl-2-((3S,4S)-3-((4-(3,3-difluoro-3-...)
Show SMILES OC(=O)[C@@H](CC1CCCCC1)N1C[C@H](CN2CCC(CCC(F)(F)c3ccc(F)cc3)CC2)[C@H](C1)c1ccccc1
Show InChI InChI=1S/C34H45F3N2O2/c35-30-13-11-29(12-14-30)34(36,37)18-15-25-16-19-38(20-17-25)22-28-23-39(24-31(28)27-9-5-2-6-10-27)32(33(40)41)21-26-7-3-1-4-8-26/h2,5-6,9-14,25-26,28,31-32H,1,3-4,7-8,15-24H2,(H,40,41)/t28-,31+,32+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.300n/an/an/an/an/an/a



Beijing University of Technology

Curated by ChEMBL


Assay Description
Displacement of [125I]MIP1alpha from human CCR5 expressed in CHO cells


Eur J Med Chem 43: 2724-34 (2008)


Article DOI: 10.1016/j.ejmech.2008.01.040
BindingDB Entry DOI: 10.7270/Q2G44Q3W
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50121818
PNG
((R)-3-cyclobutyl-2-((3S,4S)-3-((4-(3,3-difluoro-3-...)
Show SMILES OC(=O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(CCC(F)(F)c3ccc(F)cc3)CC2)[C@H](C1)c1cccc(F)c1
Show InChI InChI=1S/C32H40F4N2O2/c33-27-9-7-26(8-10-27)32(35,36)14-11-22-12-15-37(16-13-22)19-25-20-38(30(31(39)40)17-23-3-1-4-23)21-29(25)24-5-2-6-28(34)18-24/h2,5-10,18,22-23,25,29-30H,1,3-4,11-17,19-21H2,(H,39,40)/t25-,29+,30+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 0.300n/an/an/an/an/an/a



Beijing University of Technology

Curated by ChEMBL


Assay Description
Displacement of [125I]MIP1alpha from human CCR5 expressed in CHO cells


Eur J Med Chem 43: 2724-34 (2008)


Article DOI: 10.1016/j.ejmech.2008.01.040
BindingDB Entry DOI: 10.7270/Q2G44Q3W
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50249467
PNG
((R)-2-((3S,4S)-3-((4-(2-benzyloxazol-5-yl)piperidi...)
Show SMILES OC(=O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(CC2)c2cnc(Cc3ccccc3)o2)[C@H](C1)c1ccccc1
Show InChI InChI=1S/C33H41N3O3/c37-33(38)30(18-24-10-7-11-24)36-22-28(29(23-36)26-12-5-2-6-13-26)21-35-16-14-27(15-17-35)31-20-34-32(39-31)19-25-8-3-1-4-9-25/h1-6,8-9,12-13,20,24,27-30H,7,10-11,14-19,21-23H2,(H,37,38)/t28-,29+,30+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.340n/an/an/an/an/an/a



Beijing University of Technology

Curated by ChEMBL


Assay Description
Displacement of [125I]MIP1alpha from human CCR5 expressed in CHO cells


Eur J Med Chem 43: 2724-34 (2008)


Article DOI: 10.1016/j.ejmech.2008.01.040
BindingDB Entry DOI: 10.7270/Q2G44Q3W
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50249214
PNG
(1-(((3S,4S)-1-(cyclohexylmethyl)-4-phenylpyrrolidi...)
Show SMILES Cn1nnc(n1)-c1ccc(CCCC2(O)CCN(C[C@H]3CN(CC4CCCCC4)C[C@@H]3c3ccccc3)CC2)cc1
Show InChI InChI=1S/C34H48N6O/c1-38-36-33(35-37-38)30-16-14-27(15-17-30)11-8-18-34(41)19-21-39(22-20-34)24-31-25-40(23-28-9-4-2-5-10-28)26-32(31)29-12-6-3-7-13-29/h3,6-7,12-17,28,31-32,41H,2,4-5,8-11,18-26H2,1H3/t31-,32+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.400n/an/an/an/an/an/a



Beijing University of Technology

Curated by ChEMBL


Assay Description
Displacement of [125I]MIP1alpha from human CCR5 expressed in CHO cells


Eur J Med Chem 43: 2724-34 (2008)


Article DOI: 10.1016/j.ejmech.2008.01.040
BindingDB Entry DOI: 10.7270/Q2G44Q3W
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50121837
PNG
((2R)-3-cyclopropyl-2-((3S,4S)-3-(3-fluorophenyl)-4...)
Show SMILES OC(CCC1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@H](CC2CC2)C(O)=O)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C31H40F2N2O3/c32-26-9-7-23(8-10-26)30(36)11-6-21-12-14-34(15-13-21)18-25-19-35(29(31(37)38)16-22-4-5-22)20-28(25)24-2-1-3-27(33)17-24/h1-3,7-10,17,21-22,25,28-30,36H,4-6,11-16,18-20H2,(H,37,38)/t25-,28+,29+,30?/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 0.400n/an/an/an/an/an/a



Beijing University of Technology

Curated by ChEMBL


Assay Description
Displacement of [125I]MIP1alpha from human CCR5 expressed in CHO cells


Eur J Med Chem 43: 2724-34 (2008)


Article DOI: 10.1016/j.ejmech.2008.01.040
BindingDB Entry DOI: 10.7270/Q2G44Q3W
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50249301
PNG
((R)-2-((3S,4S)-3-((4-(3,3-difluoro-3-(4-fluorophen...)
Show SMILES CC(C)C[C@@H](N1C[C@H](CN2CCC(CCC(F)(F)c3ccc(F)cc3)CC2)[C@H](C1)c1cccc(F)c1)C(O)=O
Show InChI InChI=1S/C31H40F4N2O2/c1-21(2)16-29(30(38)39)37-19-24(28(20-37)23-4-3-5-27(33)17-23)18-36-14-11-22(12-15-36)10-13-31(34,35)25-6-8-26(32)9-7-25/h3-9,17,21-22,24,28-29H,10-16,18-20H2,1-2H3,(H,38,39)/t24-,28+,29+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.5n/an/an/an/an/an/a



Beijing University of Technology

Curated by ChEMBL


Assay Description
Displacement of [125I]MIP1alpha from human CCR5 expressed in CHO cells


Eur J Med Chem 43: 2724-34 (2008)


Article DOI: 10.1016/j.ejmech.2008.01.040
BindingDB Entry DOI: 10.7270/Q2G44Q3W
More data for this
Ligand-Target Pair
Protein Kinase CK2 (CK2α)


(Homo sapiens (Human))
BDBM152738
PNG
(5-(4-chlorophenyl)benzo[c]2,6-naphthyridine-8-carb...)
Show SMILES OC(=O)c1ccc2c(c1)nc(-c1ccc(Cl)cc1)c1ccncc21
Show InChI InChI=1S/C19H11ClN2O2/c20-13-4-1-11(2-5-13)18-15-7-8-21-10-16(15)14-6-3-12(19(23)24)9-17(14)22-18/h1-10H,(H,23,24)
PDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.5n/an/an/an/an/an/a



Beijing University of Technology



Assay Description
The atomic co-ordinates of CK2α were retrieved from the Protein Data Bank [PDB ID: 3PE1] by deleting the heteroatoms except for water molecules ...


Chem Biol Drug Des 85: 189-200 (2015)


Article DOI: 10.1111/cbdd.12372
BindingDB Entry DOI: 10.7270/Q2XK8D8F
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50121832
PNG
((R)-3-Cyclobutyl-2-{(S)-3-(3-fluoro-phenyl)-4-[4-(...)
Show SMILES OC(=O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(CCCc3ccccc3)CC2)[C@H](C1)c1cccc(F)c1
Show InChI InChI=1S/C32H43FN2O2/c33-29-14-6-13-27(20-29)30-23-35(31(32(36)37)19-26-11-5-12-26)22-28(30)21-34-17-15-25(16-18-34)10-4-9-24-7-2-1-3-8-24/h1-3,6-8,13-14,20,25-26,28,30-31H,4-5,9-12,15-19,21-23H2,(H,36,37)/t28-,30+,31+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 0.5n/an/an/an/an/an/a



Beijing University of Technology

Curated by ChEMBL


Assay Description
Displacement of [125I]MIP1alpha from human CCR5 expressed in CHO cells


Eur J Med Chem 43: 2724-34 (2008)


Article DOI: 10.1016/j.ejmech.2008.01.040
BindingDB Entry DOI: 10.7270/Q2G44Q3W
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50249334
PNG
((R)-2-((3S,4S)-3-((4-(2-benzylthiazol-5-yl)piperid...)
Show SMILES CC(C)[C@@H](N1C[C@H](CN2CCC(CC2)c2cnc(Cc3ccccc3)s2)[C@H](C1)c1ccccc1)C(O)=O
Show InChI InChI=1S/C31H39N3O2S/c1-22(2)30(31(35)36)34-20-26(27(21-34)24-11-7-4-8-12-24)19-33-15-13-25(14-16-33)28-18-32-29(37-28)17-23-9-5-3-6-10-23/h3-12,18,22,25-27,30H,13-17,19-21H2,1-2H3,(H,35,36)/t26-,27+,30+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.510n/an/an/an/an/an/a



Beijing University of Technology

Curated by ChEMBL


Assay Description
Displacement of [125I]MIP1alpha from human CCR5 expressed in CHO cells


Eur J Med Chem 43: 2724-34 (2008)


Article DOI: 10.1016/j.ejmech.2008.01.040
BindingDB Entry DOI: 10.7270/Q2G44Q3W
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50249366
PNG
((R)-2-((3S,4S)-3-((4-(2-benzyl-4-ethyl-1H-imidazol...)
Show SMILES CCc1nc(Cc2ccccc2)[nH]c1C1CCN(C[C@H]2CN(C[C@@H]2c2ccccc2)[C@H](CC2CCC2)C(O)=O)CC1
Show InChI InChI=1S/C35H46N4O2/c1-2-31-34(37-33(36-31)21-26-10-5-3-6-11-26)28-16-18-38(19-17-28)22-29-23-39(24-30(29)27-14-7-4-8-15-27)32(35(40)41)20-25-12-9-13-25/h3-8,10-11,14-15,25,28-30,32H,2,9,12-13,16-24H2,1H3,(H,36,37)(H,40,41)/t29-,30+,32+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.570n/an/an/an/an/an/a



Beijing University of Technology

Curated by ChEMBL


Assay Description
Displacement of [125I]MIP1alpha from human CCR5 expressed in CHO cells


Eur J Med Chem 43: 2724-34 (2008)


Article DOI: 10.1016/j.ejmech.2008.01.040
BindingDB Entry DOI: 10.7270/Q2G44Q3W
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50249367
PNG
((R)-2-((3S,4S)-3-((4-(2-benzyl-4-chloro-1H-imidazo...)
Show SMILES OC(=O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(CC2)c2[nH]c(Cc3ccccc3)nc2Cl)[C@H](C1)c1ccccc1
Show InChI InChI=1S/C33H41ClN4O2/c34-32-31(35-30(36-32)19-24-8-3-1-4-9-24)26-14-16-37(17-15-26)20-27-21-38(22-28(27)25-12-5-2-6-13-25)29(33(39)40)18-23-10-7-11-23/h1-6,8-9,12-13,23,26-29H,7,10-11,14-22H2,(H,35,36)(H,39,40)/t27-,28+,29+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.600n/an/an/an/an/an/a



Beijing University of Technology

Curated by ChEMBL


Assay Description
Displacement of [125I]MIP1alpha from human CCR5 expressed in CHO cells


Eur J Med Chem 43: 2724-34 (2008)


Article DOI: 10.1016/j.ejmech.2008.01.040
BindingDB Entry DOI: 10.7270/Q2G44Q3W
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50249302
PNG
((R)-2-((3S,4S)-3-((4-(2-benzyl-1H-imidazol-5-yl)pi...)
Show SMILES OC(=O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(CC2)c2cnc(Cc3ccccc3)[nH]2)[C@H](C1)c1ccccc1
Show InChI InChI=1S/C34H44N4O2/c39-34(40)33(28-14-8-3-9-15-28)38-23-29(30(24-38)26-12-6-2-7-13-26)22-37-18-16-27(17-19-37)31-21-35-32(36-31)20-25-10-4-1-5-11-25/h1-2,4-7,10-13,21,27-30,33H,3,8-9,14-20,22-24H2,(H,35,36)(H,39,40)/t29-,30+,33+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.670n/an/an/an/an/an/a



Beijing University of Technology

Curated by ChEMBL


Assay Description
Displacement of [125I]MIP1alpha from human CCR5 expressed in CHO cells


Eur J Med Chem 43: 2724-34 (2008)


Article DOI: 10.1016/j.ejmech.2008.01.040
BindingDB Entry DOI: 10.7270/Q2G44Q3W
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50119333
PNG
((R)-3-methyl-2-((3S,4S)-3-phenyl-4-((4-(3-phenylpr...)
Show SMILES CC(C)[C@@H](N1C[C@H](CN2CCC(CCCc3ccccc3)CC2)[C@H](C1)c1ccccc1)C(O)=O
Show InChI InChI=1S/C30H42N2O2/c1-23(2)29(30(33)34)32-21-27(28(22-32)26-14-7-4-8-15-26)20-31-18-16-25(17-19-31)13-9-12-24-10-5-3-6-11-24/h3-8,10-11,14-15,23,25,27-29H,9,12-13,16-22H2,1-2H3,(H,33,34)/t27-,28+,29+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 0.700n/an/an/an/an/an/a



Beijing University of Technology

Curated by ChEMBL


Assay Description
Displacement of [125I]MIP1alpha from human CCR5 expressed in CHO cells


Eur J Med Chem 43: 2724-34 (2008)


Article DOI: 10.1016/j.ejmech.2008.01.040
BindingDB Entry DOI: 10.7270/Q2G44Q3W
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50249492
PNG
((R)-2-((3S,4S)-3-((4-(2-benzyl-4-ethylthiazol-5-yl...)
Show SMILES CCc1nc(Cc2ccccc2)sc1C1CCN(C[C@H]2CN(C[C@@H]2c2ccccc2)[C@H](CC2CCC2)C(O)=O)CC1
Show InChI InChI=1S/C35H45N3O2S/c1-2-31-34(41-33(36-31)21-26-10-5-3-6-11-26)28-16-18-37(19-17-28)22-29-23-38(24-30(29)27-14-7-4-8-15-27)32(35(39)40)20-25-12-9-13-25/h3-8,10-11,14-15,25,28-30,32H,2,9,12-13,16-24H2,1H3,(H,39,40)/t29-,30+,32+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.760n/an/an/an/an/an/a



Beijing University of Technology

Curated by ChEMBL


Assay Description
Displacement of [125I]MIP1alpha from human CCR5 expressed in CHO cells


Eur J Med Chem 43: 2724-34 (2008)


Article DOI: 10.1016/j.ejmech.2008.01.040
BindingDB Entry DOI: 10.7270/Q2G44Q3W
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50141874
PNG
((R)-2-((3S,4S)-3-((4-(3-benzyl-1-ethyl-1H-pyrazol-...)
Show SMILES CCn1nc(Cc2ccccc2)cc1C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@@H](C(O)=O)C(C)(C)C)CC1
Show InChI InChI=1S/C34H45FN4O2/c1-5-39-31(20-29(36-39)18-24-10-7-6-8-11-24)25-14-16-37(17-15-25)21-27-22-38(32(33(40)41)34(2,3)4)23-30(27)26-12-9-13-28(35)19-26/h6-13,19-20,25,27,30,32H,5,14-18,21-23H2,1-4H3,(H,40,41)/t27-,30+,32-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 0.800n/an/an/an/an/an/a



Beijing University of Technology

Curated by ChEMBL


Assay Description
Displacement of [125I]MIP1alpha from human CCR5 expressed in CHO cells


Eur J Med Chem 43: 2724-34 (2008)


Article DOI: 10.1016/j.ejmech.2008.01.040
BindingDB Entry DOI: 10.7270/Q2G44Q3W
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50121840
PNG
((R)-3-Cyclobutyl-2-((S)-3-(3-fluoro-phenyl)-4-{4-[...)
Show SMILES OC(=O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(CCCc3ccc(F)cc3)CC2)[C@H](C1)c1cccc(F)c1
Show InChI InChI=1S/C32H42F2N2O2/c33-28-12-10-23(11-13-28)4-1-5-24-14-16-35(17-15-24)20-27-21-36(31(32(37)38)18-25-6-2-7-25)22-30(27)26-8-3-9-29(34)19-26/h3,8-13,19,24-25,27,30-31H,1-2,4-7,14-18,20-22H2,(H,37,38)/t27-,30+,31+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 0.800n/an/an/an/an/an/a



Beijing University of Technology

Curated by ChEMBL


Assay Description
Displacement of [125I]MIP1alpha from human CCR5 expressed in CHO cells


Eur J Med Chem 43: 2724-34 (2008)


Article DOI: 10.1016/j.ejmech.2008.01.040
BindingDB Entry DOI: 10.7270/Q2G44Q3W
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50119337
PNG
((R)-2-((3S,4S)-3-((4-hydroxy-4-(3-phenylpropyl)pip...)
Show SMILES OC(=O)[C@H](N1C[C@H](CN2CCC(O)(CCCc3ccccc3)CC2)[C@H](C1)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C33H40N2O3/c36-32(37)31(28-16-8-3-9-17-28)35-24-29(30(25-35)27-14-6-2-7-15-27)23-34-21-19-33(38,20-22-34)18-10-13-26-11-4-1-5-12-26/h1-9,11-12,14-17,29-31,38H,10,13,18-25H2,(H,36,37)/t29-,30+,31+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 0.800n/an/an/an/an/an/a



Beijing University of Technology

Curated by ChEMBL


Assay Description
Displacement of [125I]MIP1alpha from human CCR5 expressed in CHO cells


Eur J Med Chem 43: 2724-34 (2008)


Article DOI: 10.1016/j.ejmech.2008.01.040
BindingDB Entry DOI: 10.7270/Q2G44Q3W
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50249268
PNG
((R)-2-((3S,4S)-3-(3-fluorophenyl)-4-((4-(2-(4-fluo...)
Show SMILES CC(C)C[C@@H](N1C[C@H](CN2CCC(CCSc3ccc(F)cc3)CC2)[C@H](C1)c1cccc(F)c1)C(O)=O
Show InChI InChI=1S/C30H40F2N2O2S/c1-21(2)16-29(30(35)36)34-19-24(28(20-34)23-4-3-5-26(32)17-23)18-33-13-10-22(11-14-33)12-15-37-27-8-6-25(31)7-9-27/h3-9,17,21-22,24,28-29H,10-16,18-20H2,1-2H3,(H,35,36)/t24-,28+,29+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.800n/an/an/an/an/an/a



Beijing University of Technology

Curated by ChEMBL


Assay Description
Displacement of [125I]MIP1alpha from human CCR5 expressed in CHO cells


Eur J Med Chem 43: 2724-34 (2008)


Article DOI: 10.1016/j.ejmech.2008.01.040
BindingDB Entry DOI: 10.7270/Q2G44Q3W
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50249198
PNG
((R)-2-((3S,4S)-3-((4-(3-benzylisoxazol-5-yl)piperi...)
Show SMILES OC(=O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(CC2)c2cc(Cc3ccccc3)no2)[C@H](C1)c1ccccc1
Show InChI InChI=1S/C34H43N3O3/c38-34(39)33(28-14-8-3-9-15-28)37-23-29(31(24-37)26-12-6-2-7-13-26)22-36-18-16-27(17-19-36)32-21-30(35-40-32)20-25-10-4-1-5-11-25/h1-2,4-7,10-13,21,27-29,31,33H,3,8-9,14-20,22-24H2,(H,38,39)/t29-,31+,33+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 0.800n/an/an/an/an/an/a



Beijing University of Technology

Curated by ChEMBL


Assay Description
Displacement of [125I]MIP1alpha from human CCR5 expressed in CHO cells


Eur J Med Chem 43: 2724-34 (2008)


Article DOI: 10.1016/j.ejmech.2008.01.040
BindingDB Entry DOI: 10.7270/Q2G44Q3W
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50249491
PNG
((R)-2-((3S,4S)-3-((4-(2-benzyl-4-ethyloxazol-5-yl)...)
Show SMILES CCc1nc(Cc2ccccc2)oc1C1CCN(C[C@H]2CN(C[C@@H]2c2ccccc2)[C@H](CC2CCC2)C(O)=O)CC1
Show InChI InChI=1S/C35H45N3O3/c1-2-31-34(41-33(36-31)21-26-10-5-3-6-11-26)28-16-18-37(19-17-28)22-29-23-38(24-30(29)27-14-7-4-8-15-27)32(35(39)40)20-25-12-9-13-25/h3-8,10-11,14-15,25,28-30,32H,2,9,12-13,16-24H2,1H3,(H,39,40)/t29-,30+,32+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.890n/an/an/an/an/an/a



Beijing University of Technology

Curated by ChEMBL


Assay Description
Displacement of [125I]MIP1alpha from human CCR5 expressed in CHO cells


Eur J Med Chem 43: 2724-34 (2008)


Article DOI: 10.1016/j.ejmech.2008.01.040
BindingDB Entry DOI: 10.7270/Q2G44Q3W
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50141880
PNG
((R)-2-((3S,4S)-3-((4-(3-benzyl-1-ethyl-1H-pyrazol-...)
Show SMILES CCC(CC)[C@@H](N1C[C@H](CN2CCC(CC2)c2cc(Cc3ccccc3)nn2CC)[C@H](C1)c1cccc(F)c1)C(O)=O
Show InChI InChI=1S/C35H47FN4O2/c1-4-26(5-2)34(35(41)42)39-23-29(32(24-39)28-13-10-14-30(36)20-28)22-38-17-15-27(16-18-38)33-21-31(37-40(33)6-3)19-25-11-8-7-9-12-25/h7-14,20-21,26-27,29,32,34H,4-6,15-19,22-24H2,1-3H3,(H,41,42)/t29-,32+,34+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.900n/an/an/an/an/an/a



Beijing University of Technology

Curated by ChEMBL


Assay Description
Displacement of [125I]MIP1alpha from human CCR5 expressed in CHO cells


Eur J Med Chem 43: 2724-34 (2008)


Article DOI: 10.1016/j.ejmech.2008.01.040
BindingDB Entry DOI: 10.7270/Q2G44Q3W
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50249267
PNG
((R)-2-((3S,4S)-3-(3-fluorophenyl)-4-((4-(2-(4-fluo...)
Show SMILES CC(C)C[C@@H](N1C[C@H](CN2CCC(CCS(=O)(=O)c3ccc(F)cc3)CC2)[C@H](C1)c1cccc(F)c1)C(O)=O
Show InChI InChI=1S/C30H40F2N2O4S/c1-21(2)16-29(30(35)36)34-19-24(28(20-34)23-4-3-5-26(32)17-23)18-33-13-10-22(11-14-33)12-15-39(37,38)27-8-6-25(31)7-9-27/h3-9,17,21-22,24,28-29H,10-16,18-20H2,1-2H3,(H,35,36)/t24-,28+,29+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.900n/an/an/an/an/an/a



Beijing University of Technology

Curated by ChEMBL


Assay Description
Displacement of [125I]MIP1alpha from human CCR5 expressed in CHO cells


Eur J Med Chem 43: 2724-34 (2008)


Article DOI: 10.1016/j.ejmech.2008.01.040
BindingDB Entry DOI: 10.7270/Q2G44Q3W
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50249493
PNG
((R)-2-((3S,4S)-3-((4-(2-benzyl-4-ethylthiazol-5-yl...)
Show SMILES CCc1nc(Cc2ccccc2)sc1C1CCN(C[C@H]2CN(C[C@@H]2c2ccccc2)[C@H](CC(C)C)C(O)=O)CC1
Show InChI InChI=1S/C34H45N3O2S/c1-4-30-33(40-32(35-30)20-25-11-7-5-8-12-25)27-15-17-36(18-16-27)21-28-22-37(31(34(38)39)19-24(2)3)23-29(28)26-13-9-6-10-14-26/h5-14,24,27-29,31H,4,15-23H2,1-3H3,(H,38,39)/t28-,29+,31+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1n/an/an/an/an/an/a



Beijing University of Technology

Curated by ChEMBL


Assay Description
Displacement of [125I]MIP1alpha from human CCR5 expressed in CHO cells


Eur J Med Chem 43: 2724-34 (2008)


Article DOI: 10.1016/j.ejmech.2008.01.040
BindingDB Entry DOI: 10.7270/Q2G44Q3W
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50119347
PNG
((R)-Cyclohexyl-{(3S,4S)-3-[4-hydroxy-4-(3-phenyl-p...)
Show SMILES COC(=O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(O)(CCCc3ccccc3)CC2)[C@H](C1)c1ccccc1
Show InChI InChI=1S/C34H48N2O3/c1-39-33(37)32(29-17-9-4-10-18-29)36-25-30(31(26-36)28-15-7-3-8-16-28)24-35-22-20-34(38,21-23-35)19-11-14-27-12-5-2-6-13-27/h2-3,5-8,12-13,15-16,29-32,38H,4,9-11,14,17-26H2,1H3/t30-,31+,32+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1n/an/an/an/an/an/a



Beijing University of Technology

Curated by ChEMBL


Assay Description
Displacement of [125I]MIP1alpha from human CCR5 expressed in CHO cells


Eur J Med Chem 43: 2724-34 (2008)


Article DOI: 10.1016/j.ejmech.2008.01.040
BindingDB Entry DOI: 10.7270/Q2G44Q3W
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50141884
PNG
((R)-2-((3S,4S)-3-((4-(3-benzyl-1-ethyl-1H-pyrazol-...)
Show SMILES CCn1nc(Cc2ccccc2)cc1C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@H](CC2CCC2)C(O)=O)CC1
Show InChI InChI=1S/C35H45FN4O2/c1-2-40-33(21-31(37-40)18-25-8-4-3-5-9-25)27-14-16-38(17-15-27)22-29-23-39(34(35(41)42)19-26-10-6-11-26)24-32(29)28-12-7-13-30(36)20-28/h3-5,7-9,12-13,20-21,26-27,29,32,34H,2,6,10-11,14-19,22-24H2,1H3,(H,41,42)/t29-,32+,34+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.20n/an/an/an/an/an/a



Beijing University of Technology

Curated by ChEMBL


Assay Description
Displacement of [125I]MIP1alpha from human CCR5 expressed in CHO cells


Eur J Med Chem 43: 2724-34 (2008)


Article DOI: 10.1016/j.ejmech.2008.01.040
BindingDB Entry DOI: 10.7270/Q2G44Q3W
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50141882
PNG
((R)-2-((3S,4S)-3-((4-(3-benzyl-1-ethyl-1H-pyrazol-...)
Show SMILES CCn1nc(Cc2ccccc2)cc1C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@H](CC2CC2)C(O)=O)CC1
Show InChI InChI=1S/C34H43FN4O2/c1-2-39-32(20-30(36-39)17-24-7-4-3-5-8-24)26-13-15-37(16-14-26)21-28-22-38(33(34(40)41)18-25-11-12-25)23-31(28)27-9-6-10-29(35)19-27/h3-10,19-20,25-26,28,31,33H,2,11-18,21-23H2,1H3,(H,40,41)/t28-,31+,33+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.20n/an/an/an/an/an/a



Beijing University of Technology

Curated by ChEMBL


Assay Description
Displacement of [125I]MIP1alpha from human CCR5 expressed in CHO cells


Eur J Med Chem 43: 2724-34 (2008)


Article DOI: 10.1016/j.ejmech.2008.01.040
BindingDB Entry DOI: 10.7270/Q2G44Q3W
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50141856
PNG
((R)-2-((3S,4S)-3-((4-(3-benzyl-1-ethyl-1H-pyrazol-...)
Show SMILES CCn1nc(Cc2ccccc2)cc1C1CCN(C[C@H]2CN(C[C@@H]2c2ccccc2)[C@H](C2CCCCC2)C(O)=O)CC1
Show InChI InChI=1S/C36H48N4O2/c1-2-40-34(23-32(37-40)22-27-12-6-3-7-13-27)29-18-20-38(21-19-29)24-31-25-39(26-33(31)28-14-8-4-9-15-28)35(36(41)42)30-16-10-5-11-17-30/h3-4,6-9,12-15,23,29-31,33,35H,2,5,10-11,16-22,24-26H2,1H3,(H,41,42)/t31-,33+,35+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.20n/an/an/an/an/an/a



Beijing University of Technology

Curated by ChEMBL


Assay Description
Displacement of [125I]MIP1alpha from human CCR5 expressed in CHO cells


Eur J Med Chem 43: 2724-34 (2008)


Article DOI: 10.1016/j.ejmech.2008.01.040
BindingDB Entry DOI: 10.7270/Q2G44Q3W
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50249199
PNG
((R)-2-((3S,4S)-3-((4-(5-benzylisoxazol-3-yl)piperi...)
Show SMILES OC(=O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(CC2)c2cc(Cc3ccccc3)on2)[C@H](C1)c1ccccc1
Show InChI InChI=1S/C34H43N3O3/c38-34(39)33(28-14-8-3-9-15-28)37-23-29(31(24-37)26-12-6-2-7-13-26)22-36-18-16-27(17-19-36)32-21-30(40-35-32)20-25-10-4-1-5-11-25/h1-2,4-7,10-13,21,27-29,31,33H,3,8-9,14-20,22-24H2,(H,38,39)/t29-,31+,33+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.20n/an/an/an/an/an/a



Beijing University of Technology

Curated by ChEMBL


Assay Description
Displacement of [125I]MIP1alpha from human CCR5 expressed in CHO cells


Eur J Med Chem 43: 2724-34 (2008)


Article DOI: 10.1016/j.ejmech.2008.01.040
BindingDB Entry DOI: 10.7270/Q2G44Q3W
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50249303
PNG
((R)-2-((3S,4S)-3-((4-(2-benzylthiazol-4-yl)piperid...)
Show SMILES OC(=O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(CC2)c2csc(Cc3ccccc3)n2)[C@H](C1)c1ccccc1
Show InChI InChI=1S/C34H43N3O2S/c38-34(39)33(28-14-8-3-9-15-28)37-22-29(30(23-37)26-12-6-2-7-13-26)21-36-18-16-27(17-19-36)31-24-40-32(35-31)20-25-10-4-1-5-11-25/h1-2,4-7,10-13,24,27-30,33H,3,8-9,14-23H2,(H,38,39)/t29-,30+,33+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.30n/an/an/an/an/an/a



Beijing University of Technology

Curated by ChEMBL


Assay Description
Displacement of [125I]MIP1alpha from human CCR5 expressed in CHO cells


Eur J Med Chem 43: 2724-34 (2008)


Article DOI: 10.1016/j.ejmech.2008.01.040
BindingDB Entry DOI: 10.7270/Q2G44Q3W
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50249304
PNG
((R)-2-((3S,4S)-3-((4-(5-benzyloxazol-2-yl)piperidi...)
Show SMILES OC(=O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(CC2)c2ncc(Cc3ccccc3)o2)[C@H](C1)c1ccccc1
Show InChI InChI=1S/C34H43N3O3/c38-34(39)32(27-14-8-3-9-15-27)37-23-29(31(24-37)26-12-6-2-7-13-26)22-36-18-16-28(17-19-36)33-35-21-30(40-33)20-25-10-4-1-5-11-25/h1-2,4-7,10-13,21,27-29,31-32H,3,8-9,14-20,22-24H2,(H,38,39)/t29-,31+,32+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.5n/an/an/an/an/an/a



Beijing University of Technology

Curated by ChEMBL


Assay Description
Displacement of [125I]MIP1alpha from human CCR5 expressed in CHO cells


Eur J Med Chem 43: 2724-34 (2008)


Article DOI: 10.1016/j.ejmech.2008.01.040
BindingDB Entry DOI: 10.7270/Q2G44Q3W
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50141883
PNG
((R)-2-((3S,4S)-3-((4-(3-benzyl-1-ethyl-1H-pyrazol-...)
Show SMILES CCn1nc(Cc2ccccc2)cc1C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@H](C(C)C)C(O)=O)CC1
Show InChI InChI=1S/C33H43FN4O2/c1-4-38-31(19-29(35-38)17-24-9-6-5-7-10-24)25-13-15-36(16-14-25)20-27-21-37(32(23(2)3)33(39)40)22-30(27)26-11-8-12-28(34)18-26/h5-12,18-19,23,25,27,30,32H,4,13-17,20-22H2,1-3H3,(H,39,40)/t27-,30+,32+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.5n/an/an/an/an/an/a



Beijing University of Technology

Curated by ChEMBL


Assay Description
Displacement of [125I]MIP1alpha from human CCR5 expressed in CHO cells


Eur J Med Chem 43: 2724-34 (2008)


Article DOI: 10.1016/j.ejmech.2008.01.040
BindingDB Entry DOI: 10.7270/Q2G44Q3W
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50121825
PNG
((2R)-3-cyclopropyl-2-((3S,4S)-3-(3-fluorophenyl)-4...)
Show SMILES COC(=O)C(CCC1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@H](CC2CC2)C(O)=O)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C33H42F2N2O4/c1-41-33(40)29(24-8-10-27(34)11-9-24)12-7-22-13-15-36(16-14-22)19-26-20-37(31(32(38)39)17-23-5-6-23)21-30(26)25-3-2-4-28(35)18-25/h2-4,8-11,18,22-23,26,29-31H,5-7,12-17,19-21H2,1H3,(H,38,39)/t26-,29?,30+,31+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.5n/an/an/an/an/an/a



Beijing University of Technology

Curated by ChEMBL


Assay Description
Displacement of [125I]MIP1alpha from human CCR5 expressed in CHO cells


Eur J Med Chem 43: 2724-34 (2008)


Article DOI: 10.1016/j.ejmech.2008.01.040
BindingDB Entry DOI: 10.7270/Q2G44Q3W
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50249466
PNG
((R)-2-((3S,4S)-3-((4-(2-benzyloxazol-5-yl)piperidi...)
Show SMILES OC(=O)[C@@H](CC1CC1)N1C[C@H](CN2CCC(CC2)c2cnc(Cc3ccccc3)o2)[C@H](C1)c1ccccc1
Show InChI InChI=1S/C32H39N3O3/c36-32(37)29(17-24-11-12-24)35-21-27(28(22-35)25-9-5-2-6-10-25)20-34-15-13-26(14-16-34)30-19-33-31(38-30)18-23-7-3-1-4-8-23/h1-10,19,24,26-29H,11-18,20-22H2,(H,36,37)/t27-,28+,29+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.60n/an/an/an/an/an/a



Beijing University of Technology

Curated by ChEMBL


Assay Description
Displacement of [125I]MIP1alpha from human CCR5 expressed in CHO cells


Eur J Med Chem 43: 2724-34 (2008)


Article DOI: 10.1016/j.ejmech.2008.01.040
BindingDB Entry DOI: 10.7270/Q2G44Q3W
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50141873
PNG
((R)-2-((3S,4S)-3-((4-(3-benzyl-1-ethyl-1H-pyrazol-...)
Show SMILES CCn1nc(Cc2ccccc2)cc1C1CCN(C[C@H]2CN(C[C@@H]2c2ccccc2)[C@H](C2CCC2)C(O)=O)CC1
Show InChI InChI=1S/C34H44N4O2/c1-2-38-32(21-30(35-38)20-25-10-5-3-6-11-25)27-16-18-36(19-17-27)22-29-23-37(33(34(39)40)28-14-9-15-28)24-31(29)26-12-7-4-8-13-26/h3-8,10-13,21,27-29,31,33H,2,9,14-20,22-24H2,1H3,(H,39,40)/t29-,31+,33+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.60n/an/an/an/an/an/a



Beijing University of Technology

Curated by ChEMBL


Assay Description
Displacement of [125I]MIP1alpha from human CCR5 expressed in CHO cells


Eur J Med Chem 43: 2724-34 (2008)


Article DOI: 10.1016/j.ejmech.2008.01.040
BindingDB Entry DOI: 10.7270/Q2G44Q3W
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50121826
PNG
((2R)-3-cyclopropyl-2-((3S,4S)-3-(3-fluorophenyl)-4...)
Show SMILES CC(O)(CCC1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@H](CC2CC2)C(O)=O)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C32H42F2N2O3/c1-32(39,26-7-9-27(33)10-8-26)14-11-22-12-15-35(16-13-22)19-25-20-36(30(31(37)38)17-23-5-6-23)21-29(25)24-3-2-4-28(34)18-24/h2-4,7-10,18,22-23,25,29-30,39H,5-6,11-17,19-21H2,1H3,(H,37,38)/t25-,29+,30+,32?/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.60n/an/an/an/an/an/a



Beijing University of Technology

Curated by ChEMBL


Assay Description
Displacement of [125I]MIP1alpha from human CCR5 expressed in CHO cells


Eur J Med Chem 43: 2724-34 (2008)


Article DOI: 10.1016/j.ejmech.2008.01.040
BindingDB Entry DOI: 10.7270/Q2G44Q3W
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50123136
PNG
((R)-3-Cyclobutyl-2-{(3S,4S)-3-(3-fluoro-phenyl)-4-...)
Show SMILES CCCN(C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@H](CC2CCC2)C(O)=O)CC1)c1ncccn1
Show InChI InChI=1S/C30H42FN5O2/c1-2-14-36(30-32-12-5-13-33-30)26-10-15-34(16-11-26)19-24-20-35(28(29(37)38)17-22-6-3-7-22)21-27(24)23-8-4-9-25(31)18-23/h4-5,8-9,12-13,18,22,24,26-28H,2-3,6-7,10-11,14-17,19-21H2,1H3,(H,37,38)/t24-,27+,28+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.80n/an/an/an/an/an/a



Beijing University of Technology

Curated by ChEMBL


Assay Description
Displacement of [125I]MIP1alpha from human CCR5 expressed in CHO cells


Eur J Med Chem 43: 2724-34 (2008)


Article DOI: 10.1016/j.ejmech.2008.01.040
BindingDB Entry DOI: 10.7270/Q2G44Q3W
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50171877
PNG
(CHEMBL3806248)
Show SMILES CCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2c2OCCOc12
Show InChI InChI=1S/C18H15ClFN3O3/c1-2-24-14-8-13-15(17-16(14)25-5-6-26-17)18(22-9-21-13)23-10-3-4-12(20)11(19)7-10/h3-4,7-9H,2,5-6H2,1H3,(H,21,22,23)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2n/an/an/an/an/an/a



Beijing University of Technology

Curated by ChEMBL


Assay Description
Inhibition of wild type EGFR (unknown origin) autophosphorylation preincubated for 30 mins followed by ATP addition measured after 1 hr by kinase-glo...


Bioorg Med Chem 24: 2871-2881 (2016)


Article DOI: 10.1016/j.bmc.2016.01.003
BindingDB Entry DOI: 10.7270/Q2NP269P
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50119345
PNG
((R)-2-((3S,4S)-3-((4-hydroxy-4-(3-phenylpropyl)pip...)
Show SMILES CC(C)[C@@H](N1C[C@H](CN2CCC(O)(CCCc3ccccc3)CC2)[C@H](C1)c1ccccc1)C(O)=O
Show InChI InChI=1S/C30H42N2O3/c1-23(2)28(29(33)34)32-21-26(27(22-32)25-13-7-4-8-14-25)20-31-18-16-30(35,17-19-31)15-9-12-24-10-5-3-6-11-24/h3-8,10-11,13-14,23,26-28,35H,9,12,15-22H2,1-2H3,(H,33,34)/t26-,27+,28+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 2n/an/an/an/an/an/a



Beijing University of Technology

Curated by ChEMBL


Assay Description
Displacement of [125I]MIP1alpha from human CCR5 expressed in CHO cells


Eur J Med Chem 43: 2724-34 (2008)


Article DOI: 10.1016/j.ejmech.2008.01.040
BindingDB Entry DOI: 10.7270/Q2G44Q3W
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 264 total )  |  Next  |  Last  >>
Jump to: