Found 30 hits of Enzyme Inhibition Constant Data 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 |
|---|
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50394591
(CHEMBL2164207)Show SMILES CONC(=O)N(Cc1ccsc1)C1CCN(CC1)[C@H](C)CCNC(=O)c1c(C)cc(Cl)nc1Cl |r| Show InChI InChI=1S/C23H31Cl2N5O3S/c1-15-12-19(24)27-21(25)20(15)22(31)26-8-4-16(2)29-9-5-18(6-10-29)30(23(32)28-33-3)13-17-7-11-34-14-17/h7,11-12,14,16,18H,4-6,8-10,13H2,1-3H3,(H,26,31)(H,28,32)/t16-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.0800 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR5 receptor expressed in P4R5 cells co-expressing CD4, and LTR-beta-gal construct assessed as inhibition of infusion to HIV ... |
ACS Med Chem Lett 3: 216-221 (2012)
Article DOI: 10.1021/ml2002604
BindingDB Entry DOI: 10.7270/Q2T43V6M |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50394596
(CHEMBL2164202)Show SMILES C[C@H](CCNC(=O)c1c(C)cc(Cl)nc1C)N1CCC(CC1)N(Cc1ccsc1)C(=O)CN1CCOC1=O |r| Show InChI InChI=1S/C27H36ClN5O4S/c1-18-14-23(28)30-20(3)25(18)26(35)29-8-4-19(2)31-9-5-22(6-10-31)33(15-21-7-13-38-17-21)24(34)16-32-11-12-37-27(32)36/h7,13-14,17,19,22H,4-6,8-12,15-16H2,1-3H3,(H,29,35)/t19-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR5 receptor expressed in P4R5 cells co-expressing CD4, and LTR-beta-gal construct assessed as inhibition of infusion to HIV ... |
ACS Med Chem Lett 3: 216-221 (2012)
Article DOI: 10.1021/ml2002604
BindingDB Entry DOI: 10.7270/Q2T43V6M |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50394588
(CHEMBL2164210)Show SMILES CONC(=O)N(Cc1ccsc1)C1CCN(CC1)[C@H](C)CCNC(=O)c1c(C)cc(nc1Cl)C#N |r| Show InChI InChI=1S/C24H31ClN6O3S/c1-16-12-19(13-26)28-22(25)21(16)23(32)27-8-4-17(2)30-9-5-20(6-10-30)31(24(33)29-34-3)14-18-7-11-35-15-18/h7,11-12,15,17,20H,4-6,8-10,14H2,1-3H3,(H,27,32)(H,29,33)/t17-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR5 receptor expressed in P4R5 cells co-expressing CD4, and LTR-beta-gal construct assessed as inhibition of infusion to HIV ... |
ACS Med Chem Lett 3: 216-221 (2012)
Article DOI: 10.1021/ml2002604
BindingDB Entry DOI: 10.7270/Q2T43V6M |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50394601
(CHEMBL2164217)Show SMILES C[C@H](CCNC(=O)c1c(C)cc(Cl)nc1C)N1CCC(CC1)N(Cc1ccsc1)C(=O)Nc1cccnc1 |r| Show InChI InChI=1S/C28H35ClN6O2S/c1-19-15-25(29)32-21(3)26(19)27(36)31-11-6-20(2)34-12-7-24(8-13-34)35(17-22-9-14-38-18-22)28(37)33-23-5-4-10-30-16-23/h4-5,9-10,14-16,18,20,24H,6-8,11-13,17H2,1-3H3,(H,31,36)(H,33,37)/t20-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.110 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR5 receptor expressed in P4R5 cells co-expressing CD4, and LTR-beta-gal construct assessed as inhibition of infusion to HIV ... |
ACS Med Chem Lett 3: 216-221 (2012)
Article DOI: 10.1021/ml2002604
BindingDB Entry DOI: 10.7270/Q2T43V6M |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50394595
(CHEMBL2164203)Show SMILES CNC(=O)N(Cc1ccsc1)C1CCN(CC1)[C@H](C)CCNC(=O)c1c(C)cc(Cl)nc1C |r| Show InChI InChI=1S/C24H34ClN5O2S/c1-16-13-21(25)28-18(3)22(16)23(31)27-9-5-17(2)29-10-6-20(7-11-29)30(24(32)26-4)14-19-8-12-33-15-19/h8,12-13,15,17,20H,5-7,9-11,14H2,1-4H3,(H,26,32)(H,27,31)/t17-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR5 receptor expressed in P4R5 cells co-expressing CD4, and LTR-beta-gal construct assessed as inhibition of infusion to HIV ... |
ACS Med Chem Lett 3: 216-221 (2012)
Article DOI: 10.1021/ml2002604
BindingDB Entry DOI: 10.7270/Q2T43V6M |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50394593
(CHEMBL2164205)Show SMILES C[C@H](CCNC(=O)c1c(C)cc(Cl)nc1C)N1CCC(CC1)N(Cc1ccsc1)C(=O)NO |r| Show InChI InChI=1S/C23H32ClN5O3S/c1-15-12-20(24)26-17(3)21(15)22(30)25-8-4-16(2)28-9-5-19(6-10-28)29(23(31)27-32)13-18-7-11-33-14-18/h7,11-12,14,16,19,32H,4-6,8-10,13H2,1-3H3,(H,25,30)(H,27,31)/t16-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR5 receptor expressed in P4R5 cells co-expressing CD4, and LTR-beta-gal construct assessed as inhibition of infusion to HIV ... |
ACS Med Chem Lett 3: 216-221 (2012)
Article DOI: 10.1021/ml2002604
BindingDB Entry DOI: 10.7270/Q2T43V6M |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50394587
(CHEMBL2164211)Show SMILES COCCONC(=O)N(Cc1ccsc1)C1CCN(CC1)[C@H](C)CCNC(=O)c1c(C)cc(Cl)nc1C |r| Show InChI InChI=1S/C26H38ClN5O4S/c1-18-15-23(27)29-20(3)24(18)25(33)28-9-5-19(2)31-10-6-22(7-11-31)32(16-21-8-14-37-17-21)26(34)30-36-13-12-35-4/h8,14-15,17,19,22H,5-7,9-13,16H2,1-4H3,(H,28,33)(H,30,34)/t19-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR5 receptor expressed in P4R5 cells co-expressing CD4, and LTR-beta-gal construct assessed as inhibition of infusion to HIV ... |
ACS Med Chem Lett 3: 216-221 (2012)
Article DOI: 10.1021/ml2002604
BindingDB Entry DOI: 10.7270/Q2T43V6M |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50394592
(CHEMBL2164206)Show SMILES CONC(=O)N(Cc1ccsc1)C1CCN(CC1)[C@H](C)CCNC(=O)c1c(C)cc(Cl)nc1C |r| Show InChI InChI=1S/C24H34ClN5O3S/c1-16-13-21(25)27-18(3)22(16)23(31)26-9-5-17(2)29-10-6-20(7-11-29)30(24(32)28-33-4)14-19-8-12-34-15-19/h8,12-13,15,17,20H,5-7,9-11,14H2,1-4H3,(H,26,31)(H,28,32)/t17-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR5 receptor expressed in P4R5 cells co-expressing CD4, and LTR-beta-gal construct assessed as inhibition of infusion to HIV ... |
ACS Med Chem Lett 3: 216-221 (2012)
Article DOI: 10.1021/ml2002604
BindingDB Entry DOI: 10.7270/Q2T43V6M |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50394590
(CHEMBL2164208)Show SMILES CONC(=O)N(Cc1ccsc1)C1CCN(CC1)[C@H](C)CCNC(=O)c1c(C)cc(nc1C)C(=O)NC(C)C |r| Show InChI InChI=1S/C28H42N6O4S/c1-18(2)30-26(35)24-15-19(3)25(21(5)31-24)27(36)29-11-7-20(4)33-12-8-23(9-13-33)34(28(37)32-38-6)16-22-10-14-39-17-22/h10,14-15,17-18,20,23H,7-9,11-13,16H2,1-6H3,(H,29,36)(H,30,35)(H,32,37)/t20-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR5 receptor expressed in P4R5 cells co-expressing CD4, and LTR-beta-gal construct assessed as inhibition of infusion to HIV ... |
ACS Med Chem Lett 3: 216-221 (2012)
Article DOI: 10.1021/ml2002604
BindingDB Entry DOI: 10.7270/Q2T43V6M |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50394589
(CHEMBL2164209)Show SMILES CONC(=O)N(Cc1ccsc1)C1CCN(CC1)[C@H](C)CCNC(=O)c1c(C)cc(Cl)[n+]([O-])c1Cl |r| Show InChI InChI=1S/C23H31Cl2N5O4S/c1-15-12-19(24)30(33)21(25)20(15)22(31)26-8-4-16(2)28-9-5-18(6-10-28)29(23(32)27-34-3)13-17-7-11-35-14-17/h7,11-12,14,16,18H,4-6,8-10,13H2,1-3H3,(H,26,31)(H,27,32)/t16-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR5 receptor expressed in P4R5 cells co-expressing CD4, and LTR-beta-gal construct assessed as inhibition of infusion to HIV ... |
ACS Med Chem Lett 3: 216-221 (2012)
Article DOI: 10.1021/ml2002604
BindingDB Entry DOI: 10.7270/Q2T43V6M |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50394598
(CHEMBL2164220)Show SMILES C[C@H](CCNC(=O)c1c(C)cc(Cl)nc1C)N1CCC(CC1)N(Cc1ccsc1)C(=O)CC#N |r| Show InChI InChI=1S/C25H32ClN5O2S/c1-17-14-22(26)29-19(3)24(17)25(33)28-10-5-18(2)30-11-6-21(7-12-30)31(23(32)4-9-27)15-20-8-13-34-16-20/h8,13-14,16,18,21H,4-7,10-12,15H2,1-3H3,(H,28,33)/t18-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR5 receptor expressed in P4R5 cells co-expressing CD4, and LTR-beta-gal construct assessed as inhibition of infusion to HIV ... |
ACS Med Chem Lett 3: 216-221 (2012)
Article DOI: 10.1021/ml2002604
BindingDB Entry DOI: 10.7270/Q2T43V6M |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50394599
(CHEMBL2164219)Show SMILES COCC(=O)N(Cc1ccsc1)C1CCN(CC1)[C@H](C)CCNC(=O)c1c(C)cc(Cl)nc1C |r| Show InChI InChI=1S/C25H35ClN4O3S/c1-17-13-22(26)28-19(3)24(17)25(32)27-9-5-18(2)29-10-6-21(7-11-29)30(23(31)15-33-4)14-20-8-12-34-16-20/h8,12-13,16,18,21H,5-7,9-11,14-15H2,1-4H3,(H,27,32)/t18-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR5 receptor expressed in P4R5 cells co-expressing CD4, and LTR-beta-gal construct assessed as inhibition of infusion to HIV ... |
ACS Med Chem Lett 3: 216-221 (2012)
Article DOI: 10.1021/ml2002604
BindingDB Entry DOI: 10.7270/Q2T43V6M |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50394586
(CHEMBL2164212)Show SMILES C[C@H](CCNC(=O)c1c(C)cc(Cl)nc1C)N1CCC(CC1)N(Cc1ccsc1)C(=O)NCc1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C31H38ClN5O4S/c1-20-16-27(32)35-22(3)28(20)29(38)33-12-8-21(2)36-13-9-26(10-14-36)37(18-24-11-15-42-19-24)31(41)34-17-23-4-6-25(7-5-23)30(39)40/h4-7,11,15-16,19,21,26H,8-10,12-14,17-18H2,1-3H3,(H,33,38)(H,34,41)(H,39,40)/t21-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR5 receptor expressed in P4R5 cells co-expressing CD4, and LTR-beta-gal construct assessed as inhibition of infusion to HIV ... |
ACS Med Chem Lett 3: 216-221 (2012)
Article DOI: 10.1021/ml2002604
BindingDB Entry DOI: 10.7270/Q2T43V6M |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50394603
(CHEMBL2164215)Show SMILES C[C@H](CCNC(=O)c1c(C)cc(Cl)nc1C)N1CCC(CC1)N(Cc1ccsc1)C(=O)CC1CCOCC1 |r| Show InChI InChI=1S/C29H41ClN4O3S/c1-20-16-26(30)32-22(3)28(20)29(36)31-10-4-21(2)33-11-5-25(6-12-33)34(18-24-9-15-38-19-24)27(35)17-23-7-13-37-14-8-23/h9,15-16,19,21,23,25H,4-8,10-14,17-18H2,1-3H3,(H,31,36)/t21-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR5 receptor expressed in P4R5 cells co-expressing CD4, and LTR-beta-gal construct assessed as inhibition of infusion to HIV ... |
ACS Med Chem Lett 3: 216-221 (2012)
Article DOI: 10.1021/ml2002604
BindingDB Entry DOI: 10.7270/Q2T43V6M |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50394597
(CHEMBL2164201)Show SMILES C[C@H](CCNC(=O)c1c(C)cc(nc1C)C#N)N1CCC(CC1)N(Cc1ccsc1)C(=O)CC1CCOCC1 |r| Show InChI InChI=1S/C30H41N5O3S/c1-21-16-26(18-31)33-23(3)29(21)30(37)32-10-4-22(2)34-11-5-27(6-12-34)35(19-25-9-15-39-20-25)28(36)17-24-7-13-38-14-8-24/h9,15-16,20,22,24,27H,4-8,10-14,17,19H2,1-3H3,(H,32,37)/t22-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR5 receptor expressed in P4R5 cells co-expressing CD4, and LTR-beta-gal construct assessed as inhibition of infusion to HIV ... |
ACS Med Chem Lett 3: 216-221 (2012)
Article DOI: 10.1021/ml2002604
BindingDB Entry DOI: 10.7270/Q2T43V6M |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50394600
(CHEMBL2164218)Show SMILES C[C@H](CCNC(=O)c1c(C)cc(Cl)nc1C)N1CCC(CC1)N(Cc1ccsc1)C(C)=O |r| Show InChI InChI=1S/C24H33ClN4O2S/c1-16-13-22(25)27-18(3)23(16)24(31)26-9-5-17(2)28-10-6-21(7-11-28)29(19(4)30)14-20-8-12-32-15-20/h8,12-13,15,17,21H,5-7,9-11,14H2,1-4H3,(H,26,31)/t17-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR5 receptor expressed in P4R5 cells co-expressing CD4, and LTR-beta-gal construct assessed as inhibition of infusion to HIV ... |
ACS Med Chem Lett 3: 216-221 (2012)
Article DOI: 10.1021/ml2002604
BindingDB Entry DOI: 10.7270/Q2T43V6M |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50394605
(CHEMBL2164213)Show SMILES COc1ccc(cc1)N(Cc1ccsc1)C1CCN(CC1)[C@H](C)CCNC(=O)c1c(C)ncnc1C |r| Show InChI InChI=1S/C28H37N5O2S/c1-20(9-13-29-28(34)27-21(2)30-19-31-22(27)3)32-14-10-25(11-15-32)33(17-23-12-16-36-18-23)24-5-7-26(35-4)8-6-24/h5-8,12,16,18-20,25H,9-11,13-15,17H2,1-4H3,(H,29,34)/t20-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR5 receptor expressed in P4R5 cells co-expressing CD4, and LTR-beta-gal construct assessed as inhibition of infusion to HIV ... |
ACS Med Chem Lett 3: 216-221 (2012)
Article DOI: 10.1021/ml2002604
BindingDB Entry DOI: 10.7270/Q2T43V6M |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50359492
(CHEMBL1926888)Show SMILES COc1ccc(cc1)N(Cc1cnccc1C)C1CCN(CC1)[C@H](C)CCNC(=O)c1c(C)ncnc1C |r| Show InChI InChI=1S/C30H40N6O2/c1-21-10-14-31-18-25(21)19-36(26-6-8-28(38-5)9-7-26)27-12-16-35(17-13-27)22(2)11-15-32-30(37)29-23(3)33-20-34-24(29)4/h6-10,14,18,20,22,27H,11-13,15-17,19H2,1-5H3,(H,32,37)/t22-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 10.9 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR5 receptor expressed in P4R5 cells co-expressing CD4, and LTR-beta-gal construct assessed as inhibition of infusion to HIV ... |
ACS Med Chem Lett 3: 216-221 (2012)
Article DOI: 10.1021/ml2002604
BindingDB Entry DOI: 10.7270/Q2T43V6M |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50394602
(CHEMBL2164216)Show SMILES C[C@H](CCNC(=O)c1c(C)cc(Cl)nc1C)N1CCC(CC1)N(Cc1cnccc1C)C(=O)Nc1cccnc1 |r| Show InChI InChI=1S/C30H38ClN7O2/c1-20-7-12-33-17-24(20)19-38(30(40)36-25-6-5-11-32-18-25)26-9-14-37(15-10-26)22(3)8-13-34-29(39)28-21(2)16-27(31)35-23(28)4/h5-7,11-12,16-18,22,26H,8-10,13-15,19H2,1-4H3,(H,34,39)(H,36,40)/t22-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 14.3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR5 receptor expressed in P4R5 cells co-expressing CD4, and LTR-beta-gal construct assessed as inhibition of infusion to HIV ... |
ACS Med Chem Lett 3: 216-221 (2012)
Article DOI: 10.1021/ml2002604
BindingDB Entry DOI: 10.7270/Q2T43V6M |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50394604
(CHEMBL2164214)Show SMILES C[C@H](CCNC(=O)c1c(C)cc(Cl)nc1C)N1CCC(CC1)N(Cc1cnccc1C)C(=O)CC1CCOCC1 |r| Show InChI InChI=1S/C31H44ClN5O3/c1-21-5-11-33-19-26(21)20-37(29(38)18-25-9-15-40-16-10-25)27-7-13-36(14-8-27)23(3)6-12-34-31(39)30-22(2)17-28(32)35-24(30)4/h5,11,17,19,23,25,27H,6-10,12-16,18,20H2,1-4H3,(H,34,39)/t23-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 31.1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR5 receptor expressed in P4R5 cells co-expressing CD4, and LTR-beta-gal construct assessed as inhibition of infusion to HIV ... |
ACS Med Chem Lett 3: 216-221 (2012)
Article DOI: 10.1021/ml2002604
BindingDB Entry DOI: 10.7270/Q2T43V6M |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50394594
(CHEMBL2164204)Show SMILES C[C@H](CCNC(=O)c1c(C)cc(Cl)nc1C)N1CCC(CC1)N(Cc1ccsc1)C(=O)N(C)C |r| Show InChI InChI=1S/C25H36ClN5O2S/c1-17-14-22(26)28-19(3)23(17)24(32)27-10-6-18(2)30-11-7-21(8-12-30)31(25(33)29(4)5)15-20-9-13-34-16-20/h9,13-14,16,18,21H,6-8,10-12,15H2,1-5H3,(H,27,32)/t18-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 48.4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR5 receptor expressed in P4R5 cells co-expressing CD4, and LTR-beta-gal construct assessed as inhibition of infusion to HIV ... |
ACS Med Chem Lett 3: 216-221 (2012)
Article DOI: 10.1021/ml2002604
BindingDB Entry DOI: 10.7270/Q2T43V6M |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50394591
(CHEMBL2164207)Show SMILES CONC(=O)N(Cc1ccsc1)C1CCN(CC1)[C@H](C)CCNC(=O)c1c(C)cc(Cl)nc1Cl |r| Show InChI InChI=1S/C23H31Cl2N5O3S/c1-15-12-19(24)27-21(25)20(15)22(31)26-8-4-16(2)29-9-5-18(6-10-29)30(23(32)28-33-3)13-17-7-11-34-14-17/h7,11-12,14,16,18H,4-6,8-10,13H2,1-3H3,(H,26,31)(H,28,32)/t16-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant hERG expressed in CHO cells by automated patch clamp assay |
ACS Med Chem Lett 3: 216-221 (2012)
Article DOI: 10.1021/ml2002604
BindingDB Entry DOI: 10.7270/Q2T43V6M |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50394595
(CHEMBL2164203)Show SMILES CNC(=O)N(Cc1ccsc1)C1CCN(CC1)[C@H](C)CCNC(=O)c1c(C)cc(Cl)nc1C |r| Show InChI InChI=1S/C24H34ClN5O2S/c1-16-13-21(25)28-18(3)22(16)23(31)27-9-5-17(2)29-10-6-20(7-11-29)30(24(32)26-4)14-19-8-12-33-15-19/h8,12-13,15,17,20H,5-7,9-11,14H2,1-4H3,(H,26,32)(H,27,31)/t17-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant hERG expressed in CHO cells by automated patch clamp assay |
ACS Med Chem Lett 3: 216-221 (2012)
Article DOI: 10.1021/ml2002604
BindingDB Entry DOI: 10.7270/Q2T43V6M |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50394592
(CHEMBL2164206)Show SMILES CONC(=O)N(Cc1ccsc1)C1CCN(CC1)[C@H](C)CCNC(=O)c1c(C)cc(Cl)nc1C |r| Show InChI InChI=1S/C24H34ClN5O3S/c1-16-13-21(25)27-18(3)22(16)23(31)26-9-5-17(2)29-10-6-20(7-11-29)30(24(32)28-33-4)14-19-8-12-34-15-19/h8,12-13,15,17,20H,5-7,9-11,14H2,1-4H3,(H,26,31)(H,28,32)/t17-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant hERG expressed in CHO cells by automated patch clamp assay |
ACS Med Chem Lett 3: 216-221 (2012)
Article DOI: 10.1021/ml2002604
BindingDB Entry DOI: 10.7270/Q2T43V6M |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50394599
(CHEMBL2164219)Show SMILES COCC(=O)N(Cc1ccsc1)C1CCN(CC1)[C@H](C)CCNC(=O)c1c(C)cc(Cl)nc1C |r| Show InChI InChI=1S/C25H35ClN4O3S/c1-17-13-22(26)28-19(3)24(17)25(32)27-9-5-18(2)29-10-6-21(7-11-29)30(23(31)15-33-4)14-20-8-12-34-16-20/h8,12-13,16,18,21H,5-7,9-11,14-15H2,1-4H3,(H,27,32)/t18-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant hERG expressed in CHO cells by automated patch clamp assay |
ACS Med Chem Lett 3: 216-221 (2012)
Article DOI: 10.1021/ml2002604
BindingDB Entry DOI: 10.7270/Q2T43V6M |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50394588
(CHEMBL2164210)Show SMILES CONC(=O)N(Cc1ccsc1)C1CCN(CC1)[C@H](C)CCNC(=O)c1c(C)cc(nc1Cl)C#N |r| Show InChI InChI=1S/C24H31ClN6O3S/c1-16-12-19(13-26)28-22(25)21(16)23(32)27-8-4-17(2)30-9-5-20(6-10-30)31(24(33)29-34-3)14-18-7-11-35-15-18/h7,11-12,15,17,20H,4-6,8-10,14H2,1-3H3,(H,27,32)(H,29,33)/t17-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.08E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant hERG expressed in CHO cells by automated patch clamp assay |
ACS Med Chem Lett 3: 216-221 (2012)
Article DOI: 10.1021/ml2002604
BindingDB Entry DOI: 10.7270/Q2T43V6M |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50394598
(CHEMBL2164220)Show SMILES C[C@H](CCNC(=O)c1c(C)cc(Cl)nc1C)N1CCC(CC1)N(Cc1ccsc1)C(=O)CC#N |r| Show InChI InChI=1S/C25H32ClN5O2S/c1-17-14-22(26)29-19(3)24(17)25(33)28-10-5-18(2)30-11-6-21(7-12-30)31(23(32)4-9-27)15-20-8-13-34-16-20/h8,13-14,16,18,21H,4-7,10-12,15H2,1-3H3,(H,28,33)/t18-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant hERG expressed in CHO cells by automated patch clamp assay |
ACS Med Chem Lett 3: 216-221 (2012)
Article DOI: 10.1021/ml2002604
BindingDB Entry DOI: 10.7270/Q2T43V6M |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50394590
(CHEMBL2164208)Show SMILES CONC(=O)N(Cc1ccsc1)C1CCN(CC1)[C@H](C)CCNC(=O)c1c(C)cc(nc1C)C(=O)NC(C)C |r| Show InChI InChI=1S/C28H42N6O4S/c1-18(2)30-26(35)24-15-19(3)25(21(5)31-24)27(36)29-11-7-20(4)33-12-8-23(9-13-33)34(28(37)32-38-6)16-22-10-14-39-17-22/h10,14-15,17-18,20,23H,7-9,11-13,16H2,1-6H3,(H,29,36)(H,30,35)(H,32,37)/t20-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant hERG expressed in CHO cells by automated patch clamp assay |
ACS Med Chem Lett 3: 216-221 (2012)
Article DOI: 10.1021/ml2002604
BindingDB Entry DOI: 10.7270/Q2T43V6M |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50394587
(CHEMBL2164211)Show SMILES COCCONC(=O)N(Cc1ccsc1)C1CCN(CC1)[C@H](C)CCNC(=O)c1c(C)cc(Cl)nc1C |r| Show InChI InChI=1S/C26H38ClN5O4S/c1-18-15-23(27)29-20(3)24(18)25(33)28-9-5-19(2)31-10-6-22(7-11-31)32(16-21-8-14-37-17-21)26(34)30-36-13-12-35-4/h8,14-15,17,19,22H,5-7,9-13,16H2,1-4H3,(H,28,33)(H,30,34)/t19-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >4.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant hERG expressed in CHO cells by automated patch clamp assay |
ACS Med Chem Lett 3: 216-221 (2012)
Article DOI: 10.1021/ml2002604
BindingDB Entry DOI: 10.7270/Q2T43V6M |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50394586
(CHEMBL2164212)Show SMILES C[C@H](CCNC(=O)c1c(C)cc(Cl)nc1C)N1CCC(CC1)N(Cc1ccsc1)C(=O)NCc1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C31H38ClN5O4S/c1-20-16-27(32)35-22(3)28(20)29(38)33-12-8-21(2)36-13-9-26(10-14-36)37(18-24-11-15-42-19-24)31(41)34-17-23-4-6-25(7-5-23)30(39)40/h4-7,11,15-16,19,21,26H,8-10,12-14,17-18H2,1-3H3,(H,33,38)(H,34,41)(H,39,40)/t21-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant hERG expressed in CHO cells by automated patch clamp assay |
ACS Med Chem Lett 3: 216-221 (2012)
Article DOI: 10.1021/ml2002604
BindingDB Entry DOI: 10.7270/Q2T43V6M |
More data for this
Ligand-Target Pair | |
Search and Browse
