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Compile Data Set for Download or QSAR

Found 8 hits with Last Name = 'rahman' and Initial = 'hk'   
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
Coagulation factor VII


(Homo sapiens (Human))
BDBM50167837
PNG
(3-Amino-N-((R)-sec-butyl)-5-{1-[(4-carbamimidoyl-b...)
Show SMILES CC[C@@H](C)NC(=O)c1cc(N)cc(c1)-c1cnc(NC(C)C)c(=O)n1CC(=O)NCc1ccc(cc1)C(N)=N
Show InChI InChI=1S/C28H36N8O3/c1-5-17(4)35-27(38)21-10-20(11-22(29)12-21)23-14-33-26(34-16(2)3)28(39)36(23)15-24(37)32-13-18-6-8-19(9-7-18)25(30)31/h6-12,14,16-17H,5,13,15,29H2,1-4H3,(H3,30,31)(H,32,37)(H,33,34)(H,35,38)/t17-/m1/s1
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n/an/a 1.70n/an/an/an/an/an/a



Pfizer Corp.

Curated by ChEMBL


Assay Description
Inhibitory concentration against Coagulation factor VIIa


Bioorg Med Chem Lett 15: 3006-11 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.037
BindingDB Entry DOI: 10.7270/Q2SB459T
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (Human))
BDBM50167830
PNG
(3-amino-N-[(2R)-butan-2-yl]-5-[1-({[(4-carbamimido...)
Show SMILES CC[C@@H](C)NC(=O)c1cc(N)cc(c1)-c1cnc(NC(C)C)c(=O)n1CC(=O)NCc1ccc(cc1C(N)=O)C(N)=N
Show InChI InChI=1S/C29H37N9O4/c1-5-16(4)37-28(41)20-8-19(9-21(30)10-20)23-13-35-27(36-15(2)3)29(42)38(23)14-24(39)34-12-18-7-6-17(25(31)32)11-22(18)26(33)40/h6-11,13,15-16H,5,12,14,30H2,1-4H3,(H3,31,32)(H2,33,40)(H,34,39)(H,35,36)(H,37,41)/t16-/m1/s1
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n/an/a 6.20n/an/an/an/an/an/a



Pfizer Corp.

Curated by ChEMBL


Assay Description
Inhibitory concentration against Coagulation factor VIIa


Bioorg Med Chem Lett 15: 3006-11 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.037
BindingDB Entry DOI: 10.7270/Q2SB459T
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (Human))
BDBM50167833
PNG
(3-amino-N-[(2R)-butan-2-yl]-5-(1-{[({4-carbamimido...)
Show SMILES CC[C@@H](C)NC(=O)c1cc(N)cc(c1)-c1cnc(NC(C)C)c(=O)n1CC(=O)NCc1ccc(cc1C(=O)Nc1ccncc1)C(N)=N
Show InChI InChI=1S/C34H40N10O4/c1-5-20(4)42-32(46)24-12-23(13-25(35)14-24)28-17-40-31(41-19(2)3)34(48)44(28)18-29(45)39-16-22-7-6-21(30(36)37)15-27(22)33(47)43-26-8-10-38-11-9-26/h6-15,17,19-20H,5,16,18,35H2,1-4H3,(H3,36,37)(H,39,45)(H,40,41)(H,42,46)(H,38,43,47)/t20-/m1/s1
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Article
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n/an/a 9.40n/an/an/an/an/an/a



Pfizer Corp.

Curated by ChEMBL


Assay Description
Inhibitory concentration against Coagulation factor VIIa


Bioorg Med Chem Lett 15: 3006-11 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.037
BindingDB Entry DOI: 10.7270/Q2SB459T
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor VII


(Homo sapiens (Human))
BDBM50167836
PNG
(3-amino-N-[(2R)-butan-2-yl]-5-(1-{[({4-carbamimido...)
Show SMILES CC[C@@H](C)NC(=O)c1cc(N)cc(c1)-c1cnc(NC(C)C)c(=O)n1CC(=O)NCc1ccc(cc1C(=O)NCC(F)(F)F)C(N)=N
Show InChI InChI=1S/C31H38F3N9O4/c1-5-17(4)42-28(45)21-8-20(9-22(35)10-21)24-13-39-27(41-16(2)3)30(47)43(24)14-25(44)38-12-19-7-6-18(26(36)37)11-23(19)29(46)40-15-31(32,33)34/h6-11,13,16-17H,5,12,14-15,35H2,1-4H3,(H3,36,37)(H,38,44)(H,39,41)(H,40,46)(H,42,45)/t17-/m1/s1
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n/an/a 12n/an/an/an/an/an/a



Pfizer Corp.

Curated by ChEMBL


Assay Description
Inhibitory concentration against Coagulation factor VIIa


Bioorg Med Chem Lett 15: 3006-11 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.037
BindingDB Entry DOI: 10.7270/Q2SB459T
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (Human))
BDBM50167835
PNG
(3-amino-N-[(2R)-butan-2-yl]-5-[1-({[(4-carbamimido...)
Show SMILES CC[C@@H](C)NC(=O)c1cc(N)cc(c1)-c1cnc(NC(C)C)c(=O)n1CC(=O)NCc1ccc(cc1C(=O)NCCN1CCOCC1)C(N)=N
Show InChI InChI=1S/C35H48N10O5/c1-5-22(4)43-33(47)26-14-25(15-27(36)16-26)29-19-41-32(42-21(2)3)35(49)45(29)20-30(46)40-18-24-7-6-23(31(37)38)17-28(24)34(48)39-8-9-44-10-12-50-13-11-44/h6-7,14-17,19,21-22H,5,8-13,18,20,36H2,1-4H3,(H3,37,38)(H,39,48)(H,40,46)(H,41,42)(H,43,47)/t22-/m1/s1
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n/an/a 20n/an/an/an/an/an/a



Pfizer Corp.

Curated by ChEMBL


Assay Description
Inhibitory concentration against Coagulation factor VIIa


Bioorg Med Chem Lett 15: 3006-11 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.037
BindingDB Entry DOI: 10.7270/Q2SB459T
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (Human))
BDBM50167831
PNG
(CHEMBL189166 | {2-[(2-{6-[3-Amino-5-((R)-sec-butyl...)
Show SMILES CC[C@@H](C)NC(=O)c1cc(N)cc(c1)-c1cnc(NC(C)C)c(=O)n1CC(=O)NCc1ccc(cc1C(=O)NCC(O)=O)C(N)=N
Show InChI InChI=1S/C31H39N9O6/c1-5-17(4)39-29(44)21-8-20(9-22(32)10-21)24-13-36-28(38-16(2)3)31(46)40(24)15-25(41)35-12-19-7-6-18(27(33)34)11-23(19)30(45)37-14-26(42)43/h6-11,13,16-17H,5,12,14-15,32H2,1-4H3,(H3,33,34)(H,35,41)(H,36,38)(H,37,45)(H,39,44)(H,42,43)/t17-/m1/s1
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n/an/a 21n/an/an/an/an/an/a



Pfizer Corp.

Curated by ChEMBL


Assay Description
Inhibitory concentration against Coagulation factor VIIa


Bioorg Med Chem Lett 15: 3006-11 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.037
BindingDB Entry DOI: 10.7270/Q2SB459T
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (Human))
BDBM50167832
PNG
(CHEMBL189597 | {2-[(2-{6-[3-Amino-5-((R)-sec-butyl...)
Show SMILES CC[C@@H](C)NC(=O)c1cc(N)cc(c1)-c1cnc(NC(C)C)c(=O)n1CC(=O)NCc1ccc(cc1C(=O)NCC(=O)OC)C(N)=N
Show InChI InChI=1S/C32H41N9O6/c1-6-18(4)40-30(44)22-9-21(10-23(33)11-22)25-14-37-29(39-17(2)3)32(46)41(25)16-26(42)36-13-20-8-7-19(28(34)35)12-24(20)31(45)38-15-27(43)47-5/h7-12,14,17-18H,6,13,15-16,33H2,1-5H3,(H3,34,35)(H,36,42)(H,37,39)(H,38,45)(H,40,44)/t18-/m1/s1
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n/an/a 23n/an/an/an/an/an/a



Pfizer Corp.

Curated by ChEMBL


Assay Description
Inhibitory concentration against Coagulation factor VIIa


Bioorg Med Chem Lett 15: 3006-11 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.037
BindingDB Entry DOI: 10.7270/Q2SB459T
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (Human))
BDBM50167834
PNG
(2-[(2-{6-[3-Amino-5-((R)-sec-butylcarbamoyl)-pheny...)
Show SMILES CC[C@@H](C)NC(=O)c1cc(N)cc(c1)-c1cnc(NC(C)C)c(=O)n1CC(=O)NCc1ccc(cc1C(O)=O)C(N)=N
Show InChI InChI=1S/C29H36N8O5/c1-5-16(4)36-27(39)20-8-19(9-21(30)10-20)23-13-34-26(35-15(2)3)28(40)37(23)14-24(38)33-12-18-7-6-17(25(31)32)11-22(18)29(41)42/h6-11,13,15-16H,5,12,14,30H2,1-4H3,(H3,31,32)(H,33,38)(H,34,35)(H,36,39)(H,41,42)/t16-/m1/s1
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n/an/a 152n/an/an/an/an/an/a



Pfizer Corp.

Curated by ChEMBL


Assay Description
Inhibitory concentration against Coagulation factor VIIa


Bioorg Med Chem Lett 15: 3006-11 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.037
BindingDB Entry DOI: 10.7270/Q2SB459T
More data for this
Ligand-Target Pair