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BDBM50055659 2N-(3,3-aminoiminopropyl)-4-[4-(4-formamido-1-methyl-1H-2-pyrrolylcarboxamido)-1-methyl-1H-2-pyrrolylcarboxamido]-1-methyl-1H-2-pyrrolecarboxamide::2N-[5-(3-amino-3-iminopropylcarbamoyl)-1-methyl-1H-3-pyrrolyl]-4-(4-formamido-1-methyl-1H-2-pyrrolylcarboxamido)-1-methyl-1H-2-pyrrolecarboxamide::2N-[5-(3-amino-3-iminopropylcarbamoyl)-1-methyl-1H-3-pyrrolyl]-4-(4-formamido-1-methyl-1H-2-pyrrolylcarboxamido)-1-methyl-1H-2-pyrrolecarboxamide(Distamycin)::2N-[5-(3-amino-3-iminopropylcarbamoyl)-1-methyl-1H-3-pyrrolyl]-4-(4-formamido-1-methyl-1H-2-pyrrolylcarboxamido)-1-methyl-1H-2-pyrrolecarboxamide(distamycin A)::4N-[5-(3-amino-3-iminopropylcarbamoyl)-1-methyl-1H-2-pyrrolyl]-2-(4-formamido-1-methyl-1H-2-pyrrolylcarboxamido)-1-methyl-1H-4-pyrrolecarboxamide::5N-[5-(3-amino-3-iminopropylcarbamoyl)-1-methyl-2,3-dihydro-1H-3-pyrrolyl]-3-(4-formamido-1-methyl-1H-2-pyrrolylcarboxamido)-1-methyl-2,3-dihydro-1H-5-pyrrolecarboxamide::CHEMBL101290::CHEMBL11252::DISTAMYCIN::DISTAMYCIN HYDROCHLORIDE::cid_6602691

SMILES: Cn1cc(NC=O)cc1C(=O)Nc1cc(C(=O)Nc2cc(C(=O)NCCC(N)=N)n(C)c2)n(C)c1

InChI Key: InChIKey=UPBAOYRENQEPJO-UHFFFAOYSA-N

Data: 6 IC50

PDB links: 13 PDB IDs match this monomer.

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50055659   
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
DNA repair protein RAD51 homolog 1


(Homo sapiens (Human))
BDBM50055659
PNG
(2N-(3,3-aminoiminopropyl)-4-[4-(4-formamido-1-meth...)
Show SMILES Cn1cc(NC=O)cc1C(=O)Nc1cc(C(=O)Nc2cc(C(=O)NCCC(N)=N)n(C)c2)n(C)c1
Show InChI InChI=1S/C22H27N9O4/c1-29-9-13(26-12-32)6-17(29)21(34)28-15-8-18(31(3)11-15)22(35)27-14-7-16(30(2)10-14)20(33)25-5-4-19(23)24/h6-12H,4-5H2,1-3H3,(H3,23,24)(H,25,33)(H,26,32)(H,27,35)(H,28,34)
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n/an/a 4.70E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Project Title: A screen for modulators of human Rad51, a key DNA repair protein Application Number: MH084119 Assay Submitter: Dr. Alex Mazin Submitte...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2VD6WW6
More data for this
Ligand-Target Pair
DNA repair protein RAD51 homolog 1


(Homo sapiens (Human))
BDBM50055659
PNG
(2N-(3,3-aminoiminopropyl)-4-[4-(4-formamido-1-meth...)
Show SMILES Cn1cc(NC=O)cc1C(=O)Nc1cc(C(=O)Nc2cc(C(=O)NCCC(N)=N)n(C)c2)n(C)c1
Show InChI InChI=1S/C22H27N9O4/c1-29-9-13(26-12-32)6-17(29)21(34)28-15-8-18(31(3)11-15)22(35)27-14-7-16(30(2)10-14)20(33)25-5-4-19(23)24/h6-12H,4-5H2,1-3H3,(H3,23,24)(H,25,33)(H,26,32)(H,27,35)(H,28,34)
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PCBioAssay
n/an/a 6.37E+3n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Project Title: A screen for modulators of human Rad51, a key DNA repair protein Application Number: MH084119 Assay Submitter: Dr. Alex Mazin Submitte...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2BV7F1T
More data for this
Ligand-Target Pair
GTPase HRas


(Homo sapiens (Human))
BDBM50055659
PNG
(2N-(3,3-aminoiminopropyl)-4-[4-(4-formamido-1-meth...)
Show SMILES Cn1cc(NC=O)cc1C(=O)Nc1cc(C(=O)Nc2cc(C(=O)NCCC(N)=N)n(C)c2)n(C)c1
Show InChI InChI=1S/C22H27N9O4/c1-29-9-13(26-12-32)6-17(29)21(34)28-15-8-18(31(3)11-15)22(35)27-14-7-16(30(2)10-14)20(33)25-5-4-19(23)24/h6-12H,4-5H2,1-3H3,(H3,23,24)(H,25,33)(H,26,32)(H,27,35)(H,28,34)
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PubMed
n/an/a>2.00E+5n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL




Bioorg Med Chem Lett 8: 3019-24 (1999)


Article DOI: 10.1016/S0960-894X(98)00544-7
BindingDB Entry DOI: 10.7270/Q2057GFM
More data for this
Ligand-Target Pair
DNA topoisomerase I (Topo I)


(Homo sapiens (Human))
BDBM50055659
PNG
(2N-(3,3-aminoiminopropyl)-4-[4-(4-formamido-1-meth...)
Show SMILES Cn1cc(NC=O)cc1C(=O)Nc1cc(C(=O)Nc2cc(C(=O)NCCC(N)=N)n(C)c2)n(C)c1
Show InChI InChI=1S/C22H27N9O4/c1-29-9-13(26-12-32)6-17(29)21(34)28-15-8-18(31(3)11-15)22(35)27-14-7-16(30(2)10-14)20(33)25-5-4-19(23)24/h6-12H,4-5H2,1-3H3,(H3,23,24)(H,25,33)(H,26,32)(H,27,35)(H,28,34)
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PubMed
n/an/a 2.70E+3n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibit supercoil relaxation property of topoisomerase I.


J Med Chem 40: 216-25 (1997)


Article DOI: 10.1021/jm9605804
BindingDB Entry DOI: 10.7270/Q2F47PS8
More data for this
Ligand-Target Pair
GTPase HRas


(Homo sapiens (Human))
BDBM50055659
PNG
(2N-(3,3-aminoiminopropyl)-4-[4-(4-formamido-1-meth...)
Show SMILES Cn1cc(NC=O)cc1C(=O)Nc1cc(C(=O)Nc2cc(C(=O)NCCC(N)=N)n(C)c2)n(C)c1
Show InChI InChI=1S/C22H27N9O4/c1-29-9-13(26-12-32)6-17(29)21(34)28-15-8-18(31(3)11-15)22(35)27-14-7-16(30(2)10-14)20(33)25-5-4-19(23)24/h6-12H,4-5H2,1-3H3,(H3,23,24)(H,25,33)(H,26,32)(H,27,35)(H,28,34)
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n/an/a 200n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Tested for 50% inhibition of generation of Human Ha-ras polymerase chain reaction(PCR) products


J Med Chem 43: 2675-84 (2000)


BindingDB Entry DOI: 10.7270/Q2959J79
More data for this
Ligand-Target Pair
GTPase HRas


(Homo sapiens (Human))
BDBM50055659
PNG
(2N-(3,3-aminoiminopropyl)-4-[4-(4-formamido-1-meth...)
Show SMILES Cn1cc(NC=O)cc1C(=O)Nc1cc(C(=O)Nc2cc(C(=O)NCCC(N)=N)n(C)c2)n(C)c1
Show InChI InChI=1S/C22H27N9O4/c1-29-9-13(26-12-32)6-17(29)21(34)28-15-8-18(31(3)11-15)22(35)27-14-7-16(30(2)10-14)20(33)25-5-4-19(23)24/h6-12H,4-5H2,1-3H3,(H3,23,24)(H,25,33)(H,26,32)(H,27,35)(H,28,34)
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n/an/a>2.00E+5n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Inhibition of Ha-ras polymerase-chain reaction product


Bioorg Med Chem Lett 8: 3019-24 (1999)


Article DOI: 10.1016/S0960-894X(98)00544-7
BindingDB Entry DOI: 10.7270/Q2057GFM
More data for this
Ligand-Target Pair