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Compile Data Set for Download or QSAR

Found 4 hits of kd for UniProtKB: P99999   
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
Cytochrome c


(Homo sapiens)
BDBM50482423
PNG
(CHEMBL353314 | Mesotetra(4-Carboxyphenyl)Porphine ...)
Show SMILES OC(=O)c1ccc(cc1)-c1c2ccc(n2)c(-c2ccc(cc2)C(O)=O)c2ccc([nH]2)c(-c2ccc(cc2)C(O)=O)c2ccc([nH]2)c(-c2ccc(cc2)C(O)=O)c2ccc1n2
Show InChI InChI=1S/C48H30N4O8/c53-45(54)29-9-1-25(2-10-29)41-33-17-19-35(49-33)42(26-3-11-30(12-4-26)46(55)56)37-21-23-39(51-37)44(28-7-15-32(16-8-28)48(59)60)40-24-22-38(52-40)43(36-20-18-34(41)50-36)27-5-13-31(14-6-27)47(57)58/h1-24,49-50H,(H,53,54)(H,55,56)(H,57,58)(H,59,60)/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-
PDB

UniProtKB/SwissProt

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PC sid
UniChem
Article
PubMed
n/an/an/a 950n/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Binding affinity to Cytochrome C


Antimicrob Agents Chemother 54: 197-206 (2010)


Article DOI: 10.1128/AAC.01206-09
BindingDB Entry DOI: 10.7270/Q2BC42BB
More data for this
Ligand-Target Pair
Cytochrome c


(Homo sapiens)
BDBM50482426
PNG
(CHEMBL385913)
Show SMILES OC(=O)c1cc(cc(c1)-c1ccc(cc1)-c1c2ccc(n2)c(-c2ccc(cc2)-c2cc(cc(c2)C(O)=O)C(O)=O)c2ccc([nH]2)c(-c2ccc(cc2)-c2cc(cc(c2)C(O)=O)C(O)=O)c2ccc([nH]2)c(-c2ccc(cc2)-c2cc(cc(c2)C(O)=O)C(O)=O)c2ccc1n2)C(O)=O
Show InChI InChI=1S/C76H46N4O16/c81-69(82)49-25-45(26-50(33-49)70(83)84)37-1-9-41(10-2-37)65-57-17-19-59(77-57)66(42-11-3-38(4-12-42)46-27-51(71(85)86)34-52(28-46)72(87)88)61-21-23-63(79-61)68(44-15-7-40(8-16-44)48-31-55(75(93)94)36-56(32-48)76(95)96)64-24-22-62(80-64)67(60-20-18-58(65)78-60)43-13-5-39(6-14-43)47-29-53(73(89)90)35-54(30-47)74(91)92/h1-36,77-78H,(H,81,82)(H,83,84)(H,85,86)(H,87,88)(H,89,90)(H,91,92)(H,93,94)(H,95,96)/b65-57-,65-58-,66-59-,66-61-,67-60-,67-62-,68-63-,68-64-
PDB

UniProtKB/SwissProt

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UniChem
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n/an/an/a 1.50E+3n/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Binding affinity to Cytochrome C


Antimicrob Agents Chemother 54: 197-206 (2010)


Article DOI: 10.1128/AAC.01206-09
BindingDB Entry DOI: 10.7270/Q2BC42BB
More data for this
Ligand-Target Pair
Cytochrome c


(Homo sapiens)
BDBM50482424
PNG
(CHEMBL1213293)
Show SMILES COC(=O)[C@H](CC(O)=O)NC(=O)c1cc(cc(c1)-c1ccc(cc1)-c1c2ccc(n2)c(-c2ccc(cc2)-c2cc(cc(c2)C(=O)N[C@@H](CC(O)=O)C(=O)OC)C(=O)N[C@@H](CC(O)=O)C(=O)OC)c2ccc([nH]2)c(-c2ccc(cc2)-c2cc(cc(c2)C(=O)N[C@@H](CC(O)=O)C(=O)OC)C(=O)N[C@@H](CC(O)=O)C(=O)OC)c2ccc(n2)c(-c2ccc(cc2)-c2cc(cc(c2)C(=O)N[C@@H](CC(O)=O)C(=O)OC)C(=O)N[C@@H](CC(O)=O)C(=O)OC)c2ccc1[nH]2)C(=O)N[C@@H](CC(O)=O)C(=O)OC |r|
Show InChI InChI=1S/C116H102N12O40/c1-161-109(153)81(45-89(129)130)121-101(145)65-33-61(34-66(41-65)102(146)122-82(46-90(131)132)110(154)162-2)53-9-17-57(18-10-53)97-73-25-27-75(117-73)98(58-19-11-54(12-20-58)62-35-67(103(147)123-83(47-91(133)134)111(155)163-3)42-68(36-62)104(148)124-84(48-92(135)136)112(156)164-4)77-29-31-79(119-77)100(60-23-15-56(16-24-60)64-39-71(107(151)127-87(51-95(141)142)115(159)167-7)44-72(40-64)108(152)128-88(52-96(143)144)116(160)168-8)80-32-30-78(120-80)99(76-28-26-74(97)118-76)59-21-13-55(14-22-59)63-37-69(105(149)125-85(49-93(137)138)113(157)165-5)43-70(38-63)106(150)126-86(50-94(139)140)114(158)166-6/h9-44,81-88,117,120H,45-52H2,1-8H3,(H,121,145)(H,122,146)(H,123,147)(H,124,148)(H,125,149)(H,126,150)(H,127,151)(H,128,152)(H,129,130)(H,131,132)(H,133,134)(H,135,136)(H,137,138)(H,139,140)(H,141,142)(H,143,144)/b97-73-,97-74-,98-75-,98-77-,99-76-,99-78-,100-79-,100-80-/t81-,82-,83-,84-,85-,86-,87-,88-/m0/s1
PDB

UniProtKB/SwissProt

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UniChem
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PubMed
n/an/an/a 1.70E+3n/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Binding affinity to Cytochrome C


Antimicrob Agents Chemother 54: 197-206 (2010)


Article DOI: 10.1128/AAC.01206-09
BindingDB Entry DOI: 10.7270/Q2BC42BB
More data for this
Ligand-Target Pair
Cytochrome c


(Homo sapiens)
BDBM50482425
PNG
(CHEMBL438407)
Show SMILES OC(=O)c1ccc(cc1)-c1ccc(cc1)-c1c2ccc(n2)c(-c2ccc(cc2)-c2ccc(cc2)C(O)=O)c2ccc([nH]2)c(-c2ccc(cc2)-c2ccc(cc2)C(O)=O)c2ccc([nH]2)c(-c2ccc(cc2)-c2ccc(cc2)C(O)=O)c2ccc1n2
Show InChI InChI=1S/C72H46N4O8/c77-69(78)53-25-9-45(10-26-53)41-1-17-49(18-2-41)65-57-33-35-59(73-57)66(50-19-3-42(4-20-50)46-11-27-54(28-12-46)70(79)80)61-37-39-63(75-61)68(52-23-7-44(8-24-52)48-15-31-56(32-16-48)72(83)84)64-40-38-62(76-64)67(60-36-34-58(65)74-60)51-21-5-43(6-22-51)47-13-29-55(30-14-47)71(81)82/h1-40,73-74H,(H,77,78)(H,79,80)(H,81,82)(H,83,84)/b65-57-,65-58-,66-59-,66-61-,67-60-,67-62-,68-63-,68-64-
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 1.70E+4n/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Binding affinity to Cytochrome C


Antimicrob Agents Chemother 54: 197-206 (2010)


Article DOI: 10.1128/AAC.01206-09
BindingDB Entry DOI: 10.7270/Q2BC42BB
More data for this
Ligand-Target Pair