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BDBM80643 (6R,7S)-7-[[4-(2-amino-1-carboxy-2-keto-ethylidene)-1,3-dithietane-2-carbonyl]amino]-8-keto-7-methoxy-3-[[(1-methyltetrazol-5-yl)thio]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid::(6R,7S)-7-[[4-(2-amino-1-carboxy-2-oxoethylidene)-1,3-dithietane-2-carbonyl]amino]-7-methoxy-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid::(6R,7S)-7-[[4-[1-azanyl-3-oxidanyl-1,3-bis(oxidanylidene)propan-2-ylidene]-1,3-dithietan-2-yl]carbonylamino]-7-methoxy-3-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid::(6R,7S)-7-[[[4-(2-amino-1-carboxy-2-oxoethylidene)-1,3-dithietan-2-yl]-oxomethyl]amino]-7-methoxy-3-[[(1-methyl-5-tetrazolyl)thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid::Cefotetan::MLS002153829::SMR001233197::cid_53025
SMILES: CO[C@]1(NC(=O)C2SC(S2)=C(C(N)=O)C(O)=O)[C@H]2SCC(CSc3nnnn3C)=C(N2C1=O)C(O)=O
InChI Key: InChIKey=SRZNHPXWXCNNDU-UHFFFAOYSA-N
Data: 7 IC50
| Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| DNA dC->dU-editing enzyme APOBEC-3G (Human) | BDBM80643![]() ((6R,7S)-7-[[[4-(2-amino-1-carboxy-2-oxoethylidene)...) | GoogleScholar | UniChem | n/a | n/a | 6.93E+4 | n/a | n/a | n/a | n/a | n/a | 25 | |
TBA | Citation and Details | ||||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| DNA dC->dU-editing enzyme APOBEC-3A (Human) | BDBM80643![]() ((6R,7S)-7-[[[4-(2-amino-1-carboxy-2-oxoethylidene)...) | GoogleScholar | UniChem | n/a | n/a | 2.96E+4 | n/a | n/a | n/a | n/a | n/a | 25 | |
TBA | Citation and Details | ||||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| ATP-binding cassette sub-family C member 4 (Human) | BDBM80643![]() ((6R,7S)-7-[[[4-(2-amino-1-carboxy-2-oxoethylidene)...) | GoogleScholar | UniChem | n/a | n/a | >1.33E+5 | n/a | n/a | n/a | n/a | n/a | n/a | |
TBA | Citation and Details | ||||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| ATP-binding cassette sub-family C member 2 (Human) | BDBM80643![]() ((6R,7S)-7-[[[4-(2-amino-1-carboxy-2-oxoethylidene)...) | GoogleScholar | UniChem | n/a | n/a | >1.33E+5 | n/a | n/a | n/a | n/a | n/a | n/a | |
TBA | Citation and Details | ||||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Bile salt export pump (Human) | BDBM80643![]() ((6R,7S)-7-[[[4-(2-amino-1-carboxy-2-oxoethylidene)...) | GoogleScholar | UniChem | n/a | n/a | >1.33E+5 | n/a | n/a | n/a | n/a | n/a | n/a | |
TBA | Citation and Details | ||||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| ATP-binding cassette sub-family C member 3 (Human) | BDBM80643![]() ((6R,7S)-7-[[[4-(2-amino-1-carboxy-2-oxoethylidene)...) | GoogleScholar | UniChem | n/a | n/a | 7.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a | |
TBA | Citation and Details | ||||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Bile salt export pump (Human) | BDBM80643![]() ((6R,7S)-7-[[[4-(2-amino-1-carboxy-2-oxoethylidene)...) | GoogleScholar | UniChem | n/a | n/a | >1.35E+5 | n/a | n/a | n/a | n/a | n/a | n/a | |
TBA | Citation and Details | ||||||||||||
| More data for this Ligand-Target Pair | |||||||||||||