Found 83 hits Enz. Inhib. hit(s) with all data for entry = 50046417 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 |
|---|
ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1
(Mus musculus) | BDBM50111203
(CHEMBL3604735)Show SMILES Cc1cc(NCc2c(Cl)ccc(Cl)c2Cl)c2cccc(C(N)=O)c2n1 Show InChI InChI=1S/C18H14Cl3N3O/c1-9-7-15(10-3-2-4-11(18(22)25)17(10)24-9)23-8-12-13(19)5-6-14(20)16(12)21/h2-7H,8H2,1H3,(H2,22,25)(H,23,24) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 46 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of mouse CD38 |
J Med Chem 58: 7021-56 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00992
BindingDB Entry DOI: 10.7270/Q2542QCX |
More data for this
Ligand-Target Pair | |
ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1
(Homo sapiens (Human)) | BDBM50111135
(CHEMBL3604758)Show SMILES Cc1cc(NCc2c(Cl)ccc(Cl)c2Cl)c2cc(F)cc(C(N)=O)c2n1 Show InChI InChI=1S/C18H13Cl3FN3O/c1-8-4-15(24-7-12-13(19)2-3-14(20)16(12)21)10-5-9(22)6-11(18(23)26)17(10)25-8/h2-6H,7H2,1H3,(H2,23,26)(H,24,25) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | 76 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of human CD38 extracellular domain expressed in Pichia pastoris using CHAPS and NAD by colorimetric-based assay |
J Med Chem 58: 7021-56 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00992
BindingDB Entry DOI: 10.7270/Q2542QCX |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1
(Mus musculus) | BDBM50111218
(CHEMBL3604734)Show SMILES Cc1cc(NCc2c(F)cccc2C(F)(F)F)c2cccc(C(N)=O)c2n1 Show InChI InChI=1S/C19H15F4N3O/c1-10-8-16(11-4-2-5-12(18(24)27)17(11)26-10)25-9-13-14(19(21,22)23)6-3-7-15(13)20/h2-8H,9H2,1H3,(H2,24,27)(H,25,26) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 115 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of mouse CD38 |
J Med Chem 58: 7021-56 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00992
BindingDB Entry DOI: 10.7270/Q2542QCX |
More data for this
Ligand-Target Pair | |
ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1
(Homo sapiens (Human)) | BDBM50111158
(CHEMBL3604739)Show SMILES Cc1cc(NCc2c(F)ccc(Cl)c2Cl)c2cccc(C(N)=O)c2n1 Show InChI InChI=1S/C18H14Cl2FN3O/c1-9-7-15(10-3-2-4-11(18(22)25)17(10)24-9)23-8-12-14(21)6-5-13(19)16(12)20/h2-7H,8H2,1H3,(H2,22,25)(H,23,24) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of human CD38 extracellular domain expressed in Pichia pastoris using CHAPS and NAD by colorimetric-based assay |
J Med Chem 58: 7021-56 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00992
BindingDB Entry DOI: 10.7270/Q2542QCX |
More data for this
Ligand-Target Pair | |
ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1
(Homo sapiens (Human)) | BDBM50111203
(CHEMBL3604735)Show SMILES Cc1cc(NCc2c(Cl)ccc(Cl)c2Cl)c2cccc(C(N)=O)c2n1 Show InChI InChI=1S/C18H14Cl3N3O/c1-9-7-15(10-3-2-4-11(18(22)25)17(10)24-9)23-8-12-13(19)5-6-14(20)16(12)21/h2-7H,8H2,1H3,(H2,22,25)(H,23,24) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of human CD38 extracellular domain expressed in Pichia pastoris using CHAPS and NAD by colorimetric-based assay |
J Med Chem 58: 7021-56 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00992
BindingDB Entry DOI: 10.7270/Q2542QCX |
More data for this
Ligand-Target Pair | |
ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1
(Homo sapiens (Human)) | BDBM50111177
(CHEMBL3604737)Show SMILES Cc1cc(NCc2c(F)ccc(F)c2Cl)c2cccc(C(N)=O)c2n1 Show InChI InChI=1S/C18H14ClF2N3O/c1-9-7-15(10-3-2-4-11(18(22)25)17(10)24-9)23-8-12-13(20)5-6-14(21)16(12)19/h2-7H,8H2,1H3,(H2,22,25)(H,23,24) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 170 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of human CD38 extracellular domain expressed in Pichia pastoris using CHAPS and NAD by colorimetric-based assay |
J Med Chem 58: 7021-56 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00992
BindingDB Entry DOI: 10.7270/Q2542QCX |
More data for this
Ligand-Target Pair | |
ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1
(Homo sapiens (Human)) | BDBM50111153
(CHEMBL3604740)Show SMILES Cc1cc(NCc2c(F)ccc(C)c2Cl)c2cccc(C(N)=O)c2n1 Show InChI InChI=1S/C19H17ClFN3O/c1-10-6-7-15(21)14(17(10)20)9-23-16-8-11(2)24-18-12(16)4-3-5-13(18)19(22)25/h3-8H,9H2,1-2H3,(H2,22,25)(H,23,24) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 280 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of human CD38 extracellular domain expressed in Pichia pastoris using CHAPS and NAD by colorimetric-based assay |
J Med Chem 58: 7021-56 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00992
BindingDB Entry DOI: 10.7270/Q2542QCX |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50111218
(CHEMBL3604734)Show SMILES Cc1cc(NCc2c(F)cccc2C(F)(F)F)c2cccc(C(N)=O)c2n1 Show InChI InChI=1S/C19H15F4N3O/c1-10-8-16(11-4-2-5-12(18(24)27)17(11)26-10)25-9-13-14(19(21,22)23)6-3-7-15(13)20/h2-8H,9H2,1H3,(H2,24,27)(H,25,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 398 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
J Med Chem 58: 7021-56 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00992
BindingDB Entry DOI: 10.7270/Q2542QCX |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50110915
(CHEMBL3604701)Show InChI InChI=1S/C20H21N3O/c1-12-6-4-7-13(2)17(12)11-22-18-10-14(3)23-19-15(18)8-5-9-16(19)20(21)24/h4-10H,11H2,1-3H3,(H2,21,24)(H,22,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 501 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
J Med Chem 58: 7021-56 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00992
BindingDB Entry DOI: 10.7270/Q2542QCX |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50111203
(CHEMBL3604735)Show SMILES Cc1cc(NCc2c(Cl)ccc(Cl)c2Cl)c2cccc(C(N)=O)c2n1 Show InChI InChI=1S/C18H14Cl3N3O/c1-9-7-15(10-3-2-4-11(18(22)25)17(10)24-9)23-8-12-13(19)5-6-14(20)16(12)21/h2-7H,8H2,1H3,(H2,22,25)(H,23,24) | 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 | 501 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
J Med Chem 58: 7021-56 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00992
BindingDB Entry DOI: 10.7270/Q2542QCX |
More data for this
Ligand-Target Pair | |
ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1
(Homo sapiens (Human)) | BDBM50111218
(CHEMBL3604734)Show SMILES Cc1cc(NCc2c(F)cccc2C(F)(F)F)c2cccc(C(N)=O)c2n1 Show InChI InChI=1S/C19H15F4N3O/c1-10-8-16(11-4-2-5-12(18(24)27)17(11)26-10)25-9-13-14(19(21,22)23)6-3-7-15(13)20/h2-8H,9H2,1H3,(H2,24,27)(H,25,26) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 510 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of human CD38 extracellular domain expressed in Pichia pastoris using CHAPS and NAD by colorimetric-based assay |
J Med Chem 58: 7021-56 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00992
BindingDB Entry DOI: 10.7270/Q2542QCX |
More data for this
Ligand-Target Pair | |
ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1
(Homo sapiens (Human)) | BDBM50111011
(CHEMBL3604717)Show InChI InChI=1S/C18H15Cl2N3O/c1-10-8-15(22-9-11-4-2-7-14(19)16(11)20)12-5-3-6-13(18(21)24)17(12)23-10/h2-8H,9H2,1H3,(H2,21,24)(H,22,23) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 620 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of human CD38 extracellular domain expressed in Pichia pastoris using CHAPS and NAD by colorimetric-based assay |
J Med Chem 58: 7021-56 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00992
BindingDB Entry DOI: 10.7270/Q2542QCX |
More data for this
Ligand-Target Pair | |
ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1
(Homo sapiens (Human)) | BDBM50111263
(CHEMBL3604732)Show InChI InChI=1S/C18H15ClFN3O/c1-10-8-16(22-9-13-14(19)6-3-7-15(13)20)11-4-2-5-12(18(21)24)17(11)23-10/h2-8H,9H2,1H3,(H2,21,24)(H,22,23) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 780 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of human CD38 extracellular domain expressed in Pichia pastoris using CHAPS and NAD by colorimetric-based assay |
J Med Chem 58: 7021-56 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00992
BindingDB Entry DOI: 10.7270/Q2542QCX |
More data for this
Ligand-Target Pair | |
ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1
(Homo sapiens (Human)) | BDBM50110922
(CHEMBL3604722)Show InChI InChI=1S/C18H15Cl2N3O/c1-10-8-16(22-9-13-14(19)6-3-7-15(13)20)11-4-2-5-12(18(21)24)17(11)23-10/h2-8H,9H2,1H3,(H2,21,24)(H,22,23) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 990 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of human CD38 extracellular domain expressed in Pichia pastoris using CHAPS and NAD by colorimetric-based assay |
J Med Chem 58: 7021-56 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00992
BindingDB Entry DOI: 10.7270/Q2542QCX |
More data for this
Ligand-Target Pair | |
ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1
(Homo sapiens (Human)) | BDBM50111262
(CHEMBL3604733)Show InChI InChI=1S/C19H18ClN3O/c1-11-5-3-8-16(20)15(11)10-22-17-9-12(2)23-18-13(17)6-4-7-14(18)19(21)24/h3-9H,10H2,1-2H3,(H2,21,24)(H,22,23) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of human CD38 extracellular domain expressed in Pichia pastoris using CHAPS and NAD by colorimetric-based assay |
J Med Chem 58: 7021-56 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00992
BindingDB Entry DOI: 10.7270/Q2542QCX |
More data for this
Ligand-Target Pair | |
ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1
(Homo sapiens (Human)) | BDBM50111149
(CHEMBL3604744)Show SMILES Cc1cc(NCc2cccnc2C(F)(F)F)c2cccc(C(N)=O)c2n1 Show InChI InChI=1S/C18H15F3N4O/c1-10-8-14(12-5-2-6-13(17(22)26)15(12)25-10)24-9-11-4-3-7-23-16(11)18(19,20)21/h2-8H,9H2,1H3,(H2,22,26)(H,24,25) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of human CD38 extracellular domain expressed in Pichia pastoris using CHAPS and NAD by colorimetric-based assay |
J Med Chem 58: 7021-56 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00992
BindingDB Entry DOI: 10.7270/Q2542QCX |
More data for this
Ligand-Target Pair | |
ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1
(Homo sapiens (Human)) | BDBM50111014
(CHEMBL3604714)Show InChI InChI=1S/C18H16BrN3O/c1-11-9-16(21-10-12-5-2-3-8-15(12)19)13-6-4-7-14(18(20)23)17(13)22-11/h2-9H,10H2,1H3,(H2,20,23)(H,21,22) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of human CD38 extracellular domain expressed in Pichia pastoris using CHAPS and NAD by colorimetric-based assay |
J Med Chem 58: 7021-56 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00992
BindingDB Entry DOI: 10.7270/Q2542QCX |
More data for this
Ligand-Target Pair | |
ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1
(Homo sapiens (Human)) | BDBM50111140
(CHEMBL3604753)Show SMILES Cc1cc(N[C@H]2CCCc3ccccc23)c2cccc(C(N)=O)c2n1 |r| Show InChI InChI=1S/C21H21N3O/c1-13-12-19(16-9-5-10-17(21(22)25)20(16)23-13)24-18-11-4-7-14-6-2-3-8-15(14)18/h2-3,5-6,8-10,12,18H,4,7,11H2,1H3,(H2,22,25)(H,23,24)/t18-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of human CD38 extracellular domain expressed in Pichia pastoris using CHAPS and NAD by colorimetric-based assay |
J Med Chem 58: 7021-56 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00992
BindingDB Entry DOI: 10.7270/Q2542QCX |
More data for this
Ligand-Target Pair | |
ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1
(Homo sapiens (Human)) | BDBM50111023
(CHEMBL3604705)Show InChI InChI=1S/C18H16ClN3O/c1-11-9-16(21-10-12-5-2-3-8-15(12)19)13-6-4-7-14(18(20)23)17(13)22-11/h2-9H,10H2,1H3,(H2,20,23)(H,21,22) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of human CD38 extracellular domain expressed in Pichia pastoris using CHAPS and NAD by colorimetric-based assay |
J Med Chem 58: 7021-56 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00992
BindingDB Entry DOI: 10.7270/Q2542QCX |
More data for this
Ligand-Target Pair | |
ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1
(Homo sapiens (Human)) | BDBM50111015
(CHEMBL3604713)Show SMILES Cc1cc(NCc2ccccc2C(F)(F)F)c2cccc(C(N)=O)c2n1 Show InChI InChI=1S/C19H16F3N3O/c1-11-9-16(13-6-4-7-14(18(23)26)17(13)25-11)24-10-12-5-2-3-8-15(12)19(20,21)22/h2-9H,10H2,1H3,(H2,23,26)(H,24,25) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of human CD38 extracellular domain expressed in Pichia pastoris using CHAPS and NAD by colorimetric-based assay |
J Med Chem 58: 7021-56 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00992
BindingDB Entry DOI: 10.7270/Q2542QCX |
More data for this
Ligand-Target Pair | |
ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1
(Homo sapiens (Human)) | BDBM50111170
(CHEMBL3604738)Show SMILES Cc1cc(NCc2c(Cl)ccc(Cl)c2F)c2cccc(C(N)=O)c2n1 Show InChI InChI=1S/C18H14Cl2FN3O/c1-9-7-15(10-3-2-4-11(18(22)25)17(10)24-9)23-8-12-13(19)5-6-14(20)16(12)21/h2-7H,8H2,1H3,(H2,22,25)(H,23,24) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of human CD38 extracellular domain expressed in Pichia pastoris using CHAPS and NAD by colorimetric-based assay |
J Med Chem 58: 7021-56 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00992
BindingDB Entry DOI: 10.7270/Q2542QCX |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50111011
(CHEMBL3604717)Show InChI InChI=1S/C18H15Cl2N3O/c1-10-8-15(22-9-11-4-2-7-14(19)16(11)20)12-5-3-6-13(18(21)24)17(12)23-10/h2-8H,9H2,1H3,(H2,21,24)(H,22,23) | 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 | 3.98E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 (unknown origin) |
J Med Chem 58: 7021-56 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00992
BindingDB Entry DOI: 10.7270/Q2542QCX |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50111158
(CHEMBL3604739)Show SMILES Cc1cc(NCc2c(F)ccc(Cl)c2Cl)c2cccc(C(N)=O)c2n1 Show InChI InChI=1S/C18H14Cl2FN3O/c1-9-7-15(10-3-2-4-11(18(22)25)17(10)24-9)23-8-12-14(21)6-5-13(19)16(12)20/h2-7H,8H2,1H3,(H2,22,25)(H,23,24) | 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 | 3.98E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 (unknown origin) |
J Med Chem 58: 7021-56 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00992
BindingDB Entry DOI: 10.7270/Q2542QCX |
More data for this
Ligand-Target Pair | |
ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1
(Homo sapiens (Human)) | BDBM50110916
(CHEMBL3604728)Show InChI InChI=1S/C19H18ClN3O/c1-11-9-17(22-10-13-5-3-8-16(20)12(13)2)14-6-4-7-15(19(21)24)18(14)23-11/h3-9H,10H2,1-2H3,(H2,21,24)(H,22,23) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of human CD38 extracellular domain expressed in Pichia pastoris using CHAPS and NAD by colorimetric-based assay |
J Med Chem 58: 7021-56 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00992
BindingDB Entry DOI: 10.7270/Q2542QCX |
More data for this
Ligand-Target Pair | |
ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1
(Homo sapiens (Human)) | BDBM50110970
(CHEMBL3604719)Show InChI InChI=1S/C18H15Cl2N3O/c1-10-7-16(22-9-11-5-6-12(19)8-15(11)20)13-3-2-4-14(18(21)24)17(13)23-10/h2-8H,9H2,1H3,(H2,21,24)(H,22,23) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of human CD38 extracellular domain expressed in Pichia pastoris using CHAPS and NAD by colorimetric-based assay |
J Med Chem 58: 7021-56 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00992
BindingDB Entry DOI: 10.7270/Q2542QCX |
More data for this
Ligand-Target Pair | |
ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1
(Homo sapiens (Human)) | BDBM50111194
(CHEMBL3604736)Show SMILES Cc1cc(NCc2c(F)ccc(Cl)c2F)c2cccc(C(N)=O)c2n1 Show InChI InChI=1S/C18H14ClF2N3O/c1-9-7-15(10-3-2-4-11(18(22)25)17(10)24-9)23-8-12-14(20)6-5-13(19)16(12)21/h2-7H,8H2,1H3,(H2,22,25)(H,23,24) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of human CD38 extracellular domain expressed in Pichia pastoris using CHAPS and NAD by colorimetric-based assay |
J Med Chem 58: 7021-56 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00992
BindingDB Entry DOI: 10.7270/Q2542QCX |
More data for this
Ligand-Target Pair | |
ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1
(Homo sapiens (Human)) | BDBM50111148
(CHEMBL3604745)Show InChI InChI=1S/C16H14ClN3OS/c1-9-7-13(19-8-14-12(17)5-6-22-14)10-3-2-4-11(16(18)21)15(10)20-9/h2-7H,8H2,1H3,(H2,18,21)(H,19,20) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of human CD38 extracellular domain expressed in Pichia pastoris using CHAPS and NAD by colorimetric-based assay |
J Med Chem 58: 7021-56 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00992
BindingDB Entry DOI: 10.7270/Q2542QCX |
More data for this
Ligand-Target Pair | |
ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1
(Homo sapiens (Human)) | BDBM50111264
(CHEMBL3604731)Show InChI InChI=1S/C18H15F2N3O/c1-10-8-16(22-9-13-14(19)6-3-7-15(13)20)11-4-2-5-12(18(21)24)17(11)23-10/h2-8H,9H2,1H3,(H2,21,24)(H,22,23) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of human CD38 extracellular domain expressed in Pichia pastoris using CHAPS and NAD by colorimetric-based assay |
J Med Chem 58: 7021-56 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00992
BindingDB Entry DOI: 10.7270/Q2542QCX |
More data for this
Ligand-Target Pair | |
ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1
(Homo sapiens (Human)) | BDBM50111141
(CHEMBL3604752)Show SMILES Cc1cc(N[C@@H]2CCCc3ccccc23)c2cccc(C(N)=O)c2n1 |r| Show InChI InChI=1S/C21H21N3O/c1-13-12-19(16-9-5-10-17(21(22)25)20(16)23-13)24-18-11-4-7-14-6-2-3-8-15(14)18/h2-3,5-6,8-10,12,18H,4,7,11H2,1H3,(H2,22,25)(H,23,24)/t18-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of human CD38 extracellular domain expressed in Pichia pastoris using CHAPS and NAD by colorimetric-based assay |
J Med Chem 58: 7021-56 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00992
BindingDB Entry DOI: 10.7270/Q2542QCX |
More data for this
Ligand-Target Pair | |
ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1
(Homo sapiens (Human)) | BDBM50110915
(CHEMBL3604701)Show InChI InChI=1S/C20H21N3O/c1-12-6-4-7-13(2)17(12)11-22-18-10-14(3)23-19-15(18)8-5-9-16(19)20(21)24/h4-10H,11H2,1-3H3,(H2,21,24)(H,22,23) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | 7.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of human CD38 extracellular domain expressed in Pichia pastoris using CHAPS and NAD by colorimetric-based assay |
J Med Chem 58: 7021-56 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00992
BindingDB Entry DOI: 10.7270/Q2542QCX |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1
(Homo sapiens (Human)) | BDBM50111151
(CHEMBL3604742)Show SMILES Cc1cc(NCc2cnccc2C(F)(F)F)c2cccc(C(N)=O)c2n1 Show InChI InChI=1S/C18H15F3N4O/c1-10-7-15(12-3-2-4-13(17(22)26)16(12)25-10)24-9-11-8-23-6-5-14(11)18(19,20)21/h2-8H,9H2,1H3,(H2,22,26)(H,24,25) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of human CD38 extracellular domain expressed in Pichia pastoris using CHAPS and NAD by colorimetric-based assay |
J Med Chem 58: 7021-56 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00992
BindingDB Entry DOI: 10.7270/Q2542QCX |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50110922
(CHEMBL3604722)Show InChI InChI=1S/C18H15Cl2N3O/c1-10-8-16(22-9-13-14(19)6-3-7-15(13)20)11-4-2-5-12(18(21)24)17(11)23-10/h2-8H,9H2,1H3,(H2,21,24)(H,22,23) | 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 | 7.94E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 (unknown origin) |
J Med Chem 58: 7021-56 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00992
BindingDB Entry DOI: 10.7270/Q2542QCX |
More data for this
Ligand-Target Pair | |
ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1
(Homo sapiens (Human)) | BDBM50111152
(CHEMBL3604741)Show SMILES Cc1cc(NCc2ncccc2C(F)(F)F)c2cccc(C(N)=O)c2n1 Show InChI InChI=1S/C18H15F3N4O/c1-10-8-14(11-4-2-5-12(17(22)26)16(11)25-10)24-9-15-13(18(19,20)21)6-3-7-23-15/h2-8H,9H2,1H3,(H2,22,26)(H,24,25) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of human CD38 extracellular domain expressed in Pichia pastoris using CHAPS and NAD by colorimetric-based assay |
J Med Chem 58: 7021-56 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00992
BindingDB Entry DOI: 10.7270/Q2542QCX |
More data for this
Ligand-Target Pair | |
ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1
(Homo sapiens (Human)) | BDBM50111267
(CHEMBL3604770)Show SMILES Cc1cc(NCc2cccc(Cl)c2Cl)c2cccc(c2n1)S(N)(=O)=O Show InChI InChI=1S/C17H15Cl2N3O2S/c1-10-8-14(21-9-11-4-2-6-13(18)16(11)19)12-5-3-7-15(17(12)22-10)25(20,23)24/h2-8H,9H2,1H3,(H,21,22)(H2,20,23,24) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 9.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of human CD38 extracellular domain expressed in Pichia pastoris using CHAPS and NAD by colorimetric-based assay |
J Med Chem 58: 7021-56 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00992
BindingDB Entry DOI: 10.7270/Q2542QCX |
More data for this
Ligand-Target Pair | |
ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1
(Homo sapiens (Human)) | BDBM50111266
(CHEMBL3604729)Show SMILES Cc1cc(NCc2cccc(c2F)C(F)(F)F)c2cccc(C(N)=O)c2n1 Show InChI InChI=1S/C19H15F4N3O/c1-10-8-15(12-5-3-6-13(18(24)27)17(12)26-10)25-9-11-4-2-7-14(16(11)20)19(21,22)23/h2-8H,9H2,1H3,(H2,24,27)(H,25,26) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 9.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of human CD38 extracellular domain expressed in Pichia pastoris using CHAPS and NAD by colorimetric-based assay |
J Med Chem 58: 7021-56 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00992
BindingDB Entry DOI: 10.7270/Q2542QCX |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50110915
(CHEMBL3604701)Show InChI InChI=1S/C20H21N3O/c1-12-6-4-7-13(2)17(12)11-22-18-10-14(3)23-19-15(18)8-5-9-16(19)20(21)24/h4-10H,11H2,1-3H3,(H2,21,24)(H,22,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 (unknown origin) |
J Med Chem 58: 7021-56 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00992
BindingDB Entry DOI: 10.7270/Q2542QCX |
More data for this
Ligand-Target Pair | |
ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1
(Homo sapiens (Human)) | BDBM50111133
(CHEMBL3604759)Show SMILES Cc1cc(NCc2c(C)cccc2C)c2cc(Br)cc(C(N)=O)c2n1 Show InChI InChI=1S/C20H20BrN3O/c1-11-5-4-6-12(2)17(11)10-23-18-7-13(3)24-19-15(18)8-14(21)9-16(19)20(22)25/h4-9H,10H2,1-3H3,(H2,22,25)(H,23,24) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of human CD38 extracellular domain expressed in Pichia pastoris using CHAPS and NAD by colorimetric-based assay |
J Med Chem 58: 7021-56 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00992
BindingDB Entry DOI: 10.7270/Q2542QCX |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50111262
(CHEMBL3604733)Show InChI InChI=1S/C19H18ClN3O/c1-11-5-3-8-16(20)15(11)10-22-17-9-12(2)23-18-13(17)6-4-7-14(18)19(21)24/h3-9H,10H2,1-2H3,(H2,21,24)(H,22,23) | 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 | 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 (unknown origin) |
J Med Chem 58: 7021-56 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00992
BindingDB Entry DOI: 10.7270/Q2542QCX |
More data for this
Ligand-Target Pair | |
ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1
(Homo sapiens (Human)) | BDBM50111146
(CHEMBL3604747)Show InChI InChI=1S/C18H23N3O/c1-12-10-16(20-11-13-6-3-2-4-7-13)14-8-5-9-15(18(19)22)17(14)21-12/h5,8-10,13H,2-4,6-7,11H2,1H3,(H2,19,22)(H,20,21) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of human CD38 extracellular domain expressed in Pichia pastoris using CHAPS and NAD by colorimetric-based assay |
J Med Chem 58: 7021-56 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00992
BindingDB Entry DOI: 10.7270/Q2542QCX |
More data for this
Ligand-Target Pair | |
ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1
(Homo sapiens (Human)) | BDBM50110943
(CHEMBL3604721)Show InChI InChI=1S/C18H15Cl2N3O/c1-10-7-16(22-9-11-8-12(19)5-6-15(11)20)13-3-2-4-14(18(21)24)17(13)23-10/h2-8H,9H2,1H3,(H2,21,24)(H,22,23) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of human CD38 extracellular domain expressed in Pichia pastoris using CHAPS and NAD by colorimetric-based assay |
J Med Chem 58: 7021-56 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00992
BindingDB Entry DOI: 10.7270/Q2542QCX |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50111015
(CHEMBL3604713)Show SMILES Cc1cc(NCc2ccccc2C(F)(F)F)c2cccc(C(N)=O)c2n1 Show InChI InChI=1S/C19H16F3N3O/c1-11-9-16(13-6-4-7-14(18(23)26)17(13)25-11)24-10-12-5-2-3-8-15(12)19(20,21)22/h2-9H,10H2,1H3,(H2,23,26)(H,24,25) | 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 | 1.26E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 (unknown origin) |
J Med Chem 58: 7021-56 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00992
BindingDB Entry DOI: 10.7270/Q2542QCX |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50111218
(CHEMBL3604734)Show SMILES Cc1cc(NCc2c(F)cccc2C(F)(F)F)c2cccc(C(N)=O)c2n1 Show InChI InChI=1S/C19H15F4N3O/c1-10-8-16(11-4-2-5-12(18(24)27)17(11)26-10)25-9-13-14(19(21,22)23)6-3-7-15(13)20/h2-8H,9H2,1H3,(H2,24,27)(H,25,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.26E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 (unknown origin) |
J Med Chem 58: 7021-56 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00992
BindingDB Entry DOI: 10.7270/Q2542QCX |
More data for this
Ligand-Target Pair | |
ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1
(Homo sapiens (Human)) | BDBM50110920
(CHEMBL3604724)Show SMILES Cc1cc(NCc2ccc(Cl)c(Cl)c2)c2cccc(C(N)=O)c2n1 Show InChI InChI=1S/C18H15Cl2N3O/c1-10-7-16(22-9-11-5-6-14(19)15(20)8-11)12-3-2-4-13(18(21)24)17(12)23-10/h2-8H,9H2,1H3,(H2,21,24)(H,22,23) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of human CD38 extracellular domain expressed in Pichia pastoris using CHAPS and NAD by colorimetric-based assay |
J Med Chem 58: 7021-56 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00992
BindingDB Entry DOI: 10.7270/Q2542QCX |
More data for this
Ligand-Target Pair | |
ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1
(Homo sapiens (Human)) | BDBM50110917
(CHEMBL3604727)Show InChI InChI=1S/C18H15ClFN3O/c1-10-8-15(22-9-11-4-2-7-14(19)16(11)20)12-5-3-6-13(18(21)24)17(12)23-10/h2-8H,9H2,1H3,(H2,21,24)(H,22,23) | PDB
MMDB
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 |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of human CD38 extracellular domain expressed in Pichia pastoris using CHAPS and NAD by colorimetric-based assay |
J Med Chem 58: 7021-56 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00992
BindingDB Entry DOI: 10.7270/Q2542QCX |
More data for this
Ligand-Target Pair | |
ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1
(Homo sapiens (Human)) | BDBM50111017
(CHEMBL3604711)Show InChI InChI=1S/C18H16ClN3O/c1-11-9-16(21-10-12-5-7-13(19)8-6-12)14-3-2-4-15(18(20)23)17(14)22-11/h2-9H,10H2,1H3,(H2,20,23)(H,21,22) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of human CD38 extracellular domain expressed in Pichia pastoris using CHAPS and NAD by colorimetric-based assay |
J Med Chem 58: 7021-56 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00992
BindingDB Entry DOI: 10.7270/Q2542QCX |
More data for this
Ligand-Target Pair | |
ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1
(Homo sapiens (Human)) | BDBM50111012
(CHEMBL3604716)Show InChI InChI=1S/C20H21N3O/c1-13-6-4-8-17(15(13)3)12-21-23-20(24)18-9-5-7-16-11-10-14(2)22-19(16)18/h4-11,21H,12H2,1-3H3,(H,23,24) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of human CD38 extracellular domain expressed in Pichia pastoris using CHAPS and NAD by colorimetric-based assay |
J Med Chem 58: 7021-56 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00992
BindingDB Entry DOI: 10.7270/Q2542QCX |
More data for this
Ligand-Target Pair | |
ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1
(Homo sapiens (Human)) | BDBM50111020
(CHEMBL3604708)Show InChI InChI=1S/C18H16ClN3O/c1-11-8-16(21-10-12-4-2-5-13(19)9-12)14-6-3-7-15(18(20)23)17(14)22-11/h2-9H,10H2,1H3,(H2,20,23)(H,21,22) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of human CD38 extracellular domain expressed in Pichia pastoris using CHAPS and NAD by colorimetric-based assay |
J Med Chem 58: 7021-56 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00992
BindingDB Entry DOI: 10.7270/Q2542QCX |
More data for this
Ligand-Target Pair | |
ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1
(Homo sapiens (Human)) | BDBM50110912
(CHEMBL3604704)Show InChI InChI=1S/C19H19N3O/c1-12-6-3-4-7-14(12)11-21-17-10-13(2)22-18-15(17)8-5-9-16(18)19(20)23/h3-10H,11H2,1-2H3,(H2,20,23)(H,21,22) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of human CD38 extracellular domain expressed in Pichia pastoris using CHAPS and NAD by colorimetric-based assay |
J Med Chem 58: 7021-56 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00992
BindingDB Entry DOI: 10.7270/Q2542QCX |
More data for this
Ligand-Target Pair | |
ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1
(Homo sapiens (Human)) | BDBM50110913
(CHEMBL3604703)Show InChI InChI=1S/C18H17N3O/c1-12-10-16(20-11-13-6-3-2-4-7-13)14-8-5-9-15(18(19)22)17(14)21-12/h2-10H,11H2,1H3,(H2,19,22)(H,20,21) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of human CD38 extracellular domain expressed in Pichia pastoris using CHAPS and NAD by colorimetric-based assay |
J Med Chem 58: 7021-56 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00992
BindingDB Entry DOI: 10.7270/Q2542QCX |
More data for this
Ligand-Target Pair | |
ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1
(Homo sapiens (Human)) | BDBM50111134
(CHEMBL3603850)Show InChI InChI=1S/C21H23N3O/c1-12-8-16-19(23-11-18-13(2)6-5-7-14(18)3)10-15(4)24-20(16)17(9-12)21(22)25/h5-10H,11H2,1-4H3,(H2,22,25)(H,23,24) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of human CD38 extracellular domain expressed in Pichia pastoris using CHAPS and NAD by colorimetric-based assay |
J Med Chem 58: 7021-56 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00992
BindingDB Entry DOI: 10.7270/Q2542QCX |
More data for this
Ligand-Target Pair | |
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