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6 similar compounds to monomer 6477

Compile data set for download or QSAR
Wt: 383.8
BDBM4531		Wt: 533.0
BDBM6460		Wt: 546.0
BDBM6461		Wt: 533.0
BDBM6469		Wt: 546.0
BDBM6470
Wt: 401.4
BDBM4532

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 4531,6460,6461,6469,6470,4532   
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
Orexin receptor type 2


(Homo sapiens (Human))		BDBM4532
PNG
(US9475819, 3B)
Show SMILES Cc1ccc(-c2ncccn2)c(n1)C(=O)N1[C@@H]2CC[C@H]1[C@H](COc1ccccn1)C2
Show InChI InChI=1S/C19H16ClN3O3/c1-24-16-6-12(4-5-14(16)20)23-19-11(9-21)10-22-15-8-18(26-3)17(25-2)7-13(15)19/h4-8,10H,1-3H3,(H,22,23)
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US Patent
>1.00E+4>-7.16n/an/an/an/an/an/a40



Janssen Pharmaceutica NV

US Patent


Assay Description
HEK293 stably expressing human orexin 2 receptor (Genebank accession number NM_001526) were grown to confluency in DMEM (Hyclone, cat #SH30022), 10% ...

US Patent US9475819 (2016)


BindingDB Entry DOI: 10.7270/Q2DZ0771
More data for this
Ligand-Target Pair
Orexin receptor type 1 (OX1)


(Rattus norvegicus (Rat))		BDBM4532
PNG
(US9475819, 3B)
Show SMILES Cc1ccc(-c2ncccn2)c(n1)C(=O)N1[C@@H]2CC[C@H]1[C@H](COc1ccccn1)C2
Show InChI InChI=1S/C19H16ClN3O3/c1-24-16-6-12(4-5-14(16)20)23-19-11(9-21)10-22-15-8-18(26-3)17(25-2)7-13(15)19/h4-8,10H,1-3H3,(H,22,23)
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>1.00E+4>-6.34n/an/an/an/an/an/a4



Janssen Pharmaceutica NV

US Patent


Assay Description
Human Embryonic Kidney 293 cells (HEK293) stably expressing rat orexin 1 receptor (Genebank accession number NM_001525) or Chinese ovary cells (CHO) ...

US Patent US9475819 (2016)


BindingDB Entry DOI: 10.7270/Q2DZ0771
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM6461
PNG
(4-Anilino-7,8-dialkoxybenzo[g]quinoline-3-carbonit...)
Show SMILES COc1cc(Nc2c(cnc3cc4cc(OC)c(OCCN5CCN(C)CC5)cc4cc23)C#N)c(C)cc1Cl
Show InChI InChI=1S/C30H32ClN5O3/c1-19-11-24(31)27(37-3)16-25(19)34-30-22(17-32)18-33-26-13-21-14-28(38-4)29(15-20(21)12-23(26)30)39-10-9-36-7-5-35(2)6-8-36/h11-16,18H,5-10H2,1-4H3,(H,33,34)
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n/an/a 1.5n/an/an/an/a7.530



Wyeth Research



Assay Description
Src kinase activity was measured in an ELISA format. IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the tra...

J Med Chem 48: 5909-20 (2005)


Article DOI: 10.1021/jm050512u
BindingDB Entry DOI: 10.7270/Q2833Q6N
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM6469
PNG
(4-Anilino-7,8-dialkoxybenzo[g]quinoline-3-carbonit...)
Show SMILES COc1cc(Nc2c(cnc3cc4cc(OCCN5CCOCC5)c(OC)cc4cc23)C#N)c(C)cc1Cl
Show InChI InChI=1S/C29H29ClN4O4/c1-18-10-23(30)26(35-2)15-24(18)33-29-21(16-31)17-32-25-12-20-14-28(27(36-3)13-19(20)11-22(25)29)38-9-6-34-4-7-37-8-5-34/h10-15,17H,4-9H2,1-3H3,(H,32,33)
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n/an/a 0.150n/an/an/an/a7.530



Wyeth Research



Assay Description
Src kinase activity was measured in an ELISA format. IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the tra...

J Med Chem 48: 5909-20 (2005)


Article DOI: 10.1021/jm050512u
BindingDB Entry DOI: 10.7270/Q2833Q6N
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM4531
PNG
(4-Phenylamino-3-quinolinecarbonitrile deriv. 1i | ...)
Show SMILES COc1cc(Nc2c(cnc3cc(OC)c(OC)cc23)C#N)c(C)cc1Cl
Show InChI InChI=1S/C20H18ClN3O3/c1-11-5-14(21)17(25-2)7-15(11)24-20-12(9-22)10-23-16-8-19(27-4)18(26-3)6-13(16)20/h5-8,10H,1-4H3,(H,23,24)
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n/an/a 2.40E+3n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibition of EGFR overexpressing A431 cell proliferation

Bioorg Med Chem Lett 12: 423-5 (2002)


Article DOI: 10.1016/s0960-894x(01)00776-4
BindingDB Entry DOI: 10.7270/Q2WM1CQ7
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM4531
PNG
(4-Phenylamino-3-quinolinecarbonitrile deriv. 1i | ...)
Show SMILES COc1cc(Nc2c(cnc3cc(OC)c(OC)cc23)C#N)c(C)cc1Cl
Show InChI InChI=1S/C20H18ClN3O3/c1-11-5-14(21)17(25-2)7-15(11)24-20-12(9-22)10-23-16-8-19(27-4)18(26-3)6-13(16)20/h5-8,10H,1-4H3,(H,23,24)
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n/an/a 4n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibition of Src protein tryrosine kinase

Bioorg Med Chem Lett 12: 423-5 (2002)


Article DOI: 10.1016/s0960-894x(01)00776-4
BindingDB Entry DOI: 10.7270/Q2WM1CQ7
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM6460
PNG
(4-Anilino-7,8-dialkoxybenzo[g]quinoline-3-carbonit...)
Show SMILES COc1cc(Nc2c(cnc3cc4cc(OC)c(OCCN5CCOCC5)cc4cc23)C#N)c(C)cc1Cl
Show InChI InChI=1S/C29H29ClN4O4/c1-18-10-23(30)26(35-2)15-24(18)33-29-21(16-31)17-32-25-12-20-13-27(36-3)28(14-19(20)11-22(25)29)38-9-6-34-4-7-37-8-5-34/h10-15,17H,4-9H2,1-3H3,(H,32,33)
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n/an/a 2.10n/an/an/an/a7.530



Wyeth Research



Assay Description
Src kinase activity was measured in an ELISA format. IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the tra...

J Med Chem 48: 5909-20 (2005)


Article DOI: 10.1021/jm050512u
BindingDB Entry DOI: 10.7270/Q2833Q6N
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM4531
PNG
(4-Phenylamino-3-quinolinecarbonitrile deriv. 1i | ...)
Show SMILES COc1cc(Nc2c(cnc3cc(OC)c(OC)cc23)C#N)c(C)cc1Cl
Show InChI InChI=1S/C20H18ClN3O3/c1-11-5-14(21)17(25-2)7-15(11)24-20-12(9-22)10-23-16-8-19(27-4)18(26-3)6-13(16)20/h5-8,10H,1-4H3,(H,23,24)
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n/an/a 4n/an/an/an/a7.530



Wyeth-Ayerst Research



Assay Description
Src kinase activity was measured in an ELISA format. IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the tra...

J Med Chem 44: 3965-77 (2001)


Article DOI: 10.1021/jm0102250
BindingDB Entry DOI: 10.7270/Q2TD9VHP
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM6470
PNG
(4-Anilino-7,8-dialkoxybenzo[g]quinoline-3-carbonit...)
Show SMILES COc1cc(Nc2c(cnc3cc4cc(OCCN5CCN(C)CC5)c(OC)cc4cc23)C#N)c(C)cc1Cl
Show InChI InChI=1S/C30H32ClN5O3/c1-19-11-24(31)27(37-3)16-25(19)34-30-22(17-32)18-33-26-13-21-15-29(28(38-4)14-20(21)12-23(26)30)39-10-9-36-7-5-35(2)6-8-36/h11-16,18H,5-10H2,1-4H3,(H,33,34)
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n/an/a 0.310n/an/an/an/a7.530



Wyeth Research



Assay Description
Src kinase activity was measured in an ELISA format. IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the tra...

J Med Chem 48: 5909-20 (2005)


Article DOI: 10.1021/jm050512u
BindingDB Entry DOI: 10.7270/Q2833Q6N
More data for this
Ligand-Target Pair