BindingDB logo
myBDB logout

Patent code US9624188

Compile Data Set for Download or QSAR
Found 12 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (human))
BDBM317549
PNG
(3-(3-(3-(2,4- difluorophenyl)ureido)-4- (diisobuty...)
Show SMILES CC(C)CN(CC(C)C)c1ccc(cc1NC(=O)Nc1ccc(F)cc1F)C(CC(O)=O)C(F)(F)F
Show InChI InChI=1S/C25H30F5N3O3/c1-14(2)12-33(13-15(3)4)22-8-5-16(18(11-23(34)35)25(28,29)30)9-21(22)32-24(36)31-20-7-6-17(26)10-19(20)27/h5-10,14-15,18H,11-13H2,1-4H3,(H,34,35)(H2,31,32,36)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.700n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Human IDO1/HEK293 cells were seeded at 10,000 cells per 50 uL per well with RPMI/phenol red free media contains 10% FBS in a 384-well black wall clea...


US Patent US9624188 (2017)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (human))
BDBM317558
PNG
(US9624188, 49 | racemic)
Show SMILES CC(C)CN(C1CCCCC1)c1ccc(cc1NC(=O)Nc1ccc(C)cc1)C(C)CC(O)=O
Show InChI InChI=1S/C28H39N3O3/c1-19(2)18-31(24-8-6-5-7-9-24)26-15-12-22(21(4)16-27(32)33)17-25(26)30-28(34)29-23-13-10-20(3)11-14-23/h10-15,17,19,21,24H,5-9,16,18H2,1-4H3,(H,32,33)(H2,29,30,34)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Human IDO1/HEK293 cells were seeded at 10,000 cells per 50 uL per well with RPMI/phenol red free media contains 10% FBS in a 384-well black wall clea...


US Patent US9624188 (2017)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (human))
BDBM317548
PNG
(US9624188, 13 | racemic)
Show SMILES CC(C)CN(CC(C)C)c1ccc(cc1NC(=O)Nc1cc(C)no1)C(C)CC(O)=O
Show InChI InChI=1S/C23H34N4O4/c1-14(2)12-27(13-15(3)4)20-8-7-18(16(5)9-22(28)29)11-19(20)24-23(30)25-21-10-17(6)26-31-21/h7-8,10-11,14-16H,9,12-13H2,1-6H3,(H,28,29)(H2,24,25,30)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Human IDO1/HEK293 cells were seeded at 10,000 cells per 50 uL per well with RPMI/phenol red free media contains 10% FBS in a 384-well black wall clea...


US Patent US9624188 (2017)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (human))
BDBM317556
PNG
((r)-3-(3-(2-(4-cyanophenyl)acetamido)-4-(diisobuty...)
Show SMILES CC(C)CN(CC(C)C)c1ccc(cc1NC(=O)Cc1ccc(cc1)C#N)[C@H](C)CC(O)=O
Show InChI InChI=1S/C27H35N3O3/c1-18(2)16-30(17-19(3)4)25-11-10-23(20(5)12-27(32)33)14-24(25)29-26(31)13-21-6-8-22(15-28)9-7-21/h6-11,14,18-20H,12-13,16-17H2,1-5H3,(H,29,31)(H,32,33)/t20-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 5n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Human IDO1/HEK293 cells were seeded at 10,000 cells per 50 uL per well with RPMI/phenol red free media contains 10% FBS in a 384-well black wall clea...


US Patent US9624188 (2017)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (human))
BDBM317557
PNG
(3-(4-(diisobutylamino)-3-(3-(3-(trifluoromethyl)is...)
Show SMILES CC(C)CN(CC(C)C)c1ccc(cc1NC(=O)Nc1cc(no1)C(F)(F)F)C(C)CC(O)=O
Show InChI InChI=1S/C23H31F3N4O4/c1-13(2)11-30(12-14(3)4)18-7-6-16(15(5)8-21(31)32)9-17(18)27-22(33)28-20-10-19(29-34-20)23(24,25)26/h6-7,9-10,13-15H,8,11-12H2,1-5H3,(H,31,32)(H2,27,28,33)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 7n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Human IDO1/HEK293 cells were seeded at 10,000 cells per 50 uL per well with RPMI/phenol red free media contains 10% FBS in a 384-well black wall clea...


US Patent US9624188 (2017)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (human))
BDBM317550
PNG
((r)-3-(4-(diisobutylamino)-3-(3-(pyrimidin-5-yl)ur...)
Show SMILES CC(C)CN(CC(C)C)c1ccc(cc1NC(=O)Nc1cncnc1)[C@H](C)CC(O)=O
Show InChI InChI=1S/C23H33N5O3/c1-15(2)12-28(13-16(3)4)21-7-6-18(17(5)8-22(29)30)9-20(21)27-23(31)26-19-10-24-14-25-11-19/h6-7,9-11,14-17H,8,12-13H2,1-5H3,(H,29,30)(H2,26,27,31)/t17-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 11n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Human IDO1/HEK293 cells were seeded at 10,000 cells per 50 uL per well with RPMI/phenol red free media contains 10% FBS in a 384-well black wall clea...


US Patent US9624188 (2017)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (human))
BDBM317554
PNG
((s)-3-(4-(diisobutylamino)-3-(3-(p-tolyl)ureido)ph...)
Show SMILES CC(C)CN(CC(C)C)c1ccc(cc1NC(=O)Nc1ccc(C)cc1)[C@@H](C)CC(O)=O
Show InChI InChI=1S/C26H37N3O3/c1-17(2)15-29(16-18(3)4)24-12-9-21(20(6)13-25(30)31)14-23(24)28-26(32)27-22-10-7-19(5)8-11-22/h7-12,14,17-18,20H,13,15-16H2,1-6H3,(H,30,31)(H2,27,28,32)/t20-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 17n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Human IDO1/HEK293 cells were seeded at 10,000 cells per 50 uL per well with RPMI/phenol red free media contains 10% FBS in a 384-well black wall clea...


US Patent US9624188 (2017)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (human))
BDBM317553
PNG
((r)-3-(4-(diisobutylamino)-3-(3-(2-methylpyrimidin...)
Show SMILES CC(C)CN(CC(C)C)c1ccc(cc1NC(=O)Nc1cnc(C)nc1)[C@H](C)CC(O)=O
Show InChI InChI=1S/C24H35N5O3/c1-15(2)13-29(14-16(3)4)22-8-7-19(17(5)9-23(30)31)10-21(22)28-24(32)27-20-11-25-18(6)26-12-20/h7-8,10-12,15-17H,9,13-14H2,1-6H3,(H,30,31)(H2,27,28,32)/t17-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 22n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Human IDO1/HEK293 cells were seeded at 10,000 cells per 50 uL per well with RPMI/phenol red free media contains 10% FBS in a 384-well black wall clea...


US Patent US9624188 (2017)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (human))
BDBM317551
PNG
((s)-3-(4-(diisobutylamino)-3-(3-(pyrimidin-5-yl)ur...)
Show SMILES CC(C)CN(CC(C)C)c1ccc(cc1NC(=O)Nc1cncnc1)[C@@H](C)CC(O)=O
Show InChI InChI=1S/C23H33N5O3/c1-15(2)12-28(13-16(3)4)21-7-6-18(17(5)8-22(29)30)9-20(21)27-23(31)26-19-10-24-14-25-11-19/h6-7,9-11,14-17H,8,12-13H2,1-5H3,(H,29,30)(H2,26,27,31)/t17-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 29n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Human IDO1/HEK293 cells were seeded at 10,000 cells per 50 uL per well with RPMI/phenol red free media contains 10% FBS in a 384-well black wall clea...


US Patent US9624188 (2017)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (human))
BDBM317555
PNG
((s)-3-(4-(diisobutylamino)-3-(3-(5-methylisoxazol-...)
Show SMILES CC(C)CN(CC(C)C)c1ccc(cc1NC(=O)Nc1cc(C)on1)[C@@H](C)CC(O)=O
Show InChI InChI=1S/C23H34N4O4/c1-14(2)12-27(13-15(3)4)20-8-7-18(16(5)9-22(28)29)11-19(20)24-23(30)25-21-10-17(6)31-26-21/h7-8,10-11,14-16H,9,12-13H2,1-6H3,(H,28,29)(H2,24,25,26,30)/t16-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 87n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Human IDO1/HEK293 cells were seeded at 10,000 cells per 50 uL per well with RPMI/phenol red free media contains 10% FBS in a 384-well black wall clea...


US Patent US9624188 (2017)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (human))
BDBM317552
PNG
((s)-3-(4-(diisobutylamino)-3-(3-(2-methylpyrimidin...)
Show SMILES CC(C)CN(CC(C)C)c1ccc(cc1NC(=O)Nc1cnc(C)nc1)[C@@H](C)CC(O)=O
Show InChI InChI=1S/C24H35N5O3/c1-15(2)13-29(14-16(3)4)22-8-7-19(17(5)9-23(30)31)10-21(22)28-24(32)27-20-11-25-18(6)26-12-20/h7-8,10-12,15-17H,9,13-14H2,1-6H3,(H,30,31)(H2,27,28,32)/t17-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 169n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Human IDO1/HEK293 cells were seeded at 10,000 cells per 50 uL per well with RPMI/phenol red free media contains 10% FBS in a 384-well black wall clea...


US Patent US9624188 (2017)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (human))
BDBM317547
PNG
(2-(3-(4-(diisobutylamino)-3-(3-(p-tolyl)ureido)phe...)
Show SMILES CC(C)CN(CC(C)C)c1ccc(cc1NC(=O)Nc1ccc(C)cc1)C1(CC(O)=O)COC1
Show InChI InChI=1S/C27H37N3O4/c1-18(2)14-30(15-19(3)4)24-11-8-21(27(13-25(31)32)16-34-17-27)12-23(24)29-26(33)28-22-9-6-20(5)7-10-22/h6-12,18-19H,13-17H2,1-5H3,(H,31,32)(H2,28,29,33)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 205n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Human IDO1/HEK293 cells were seeded at 10,000 cells per 50 uL per well with RPMI/phenol red free media contains 10% FBS in a 384-well black wall clea...


US Patent US9624188 (2017)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%