Marvin 2D Structure

Wt: 331.3 BDBM633115	Wt: 344.3 BDBM633116	Wt: 346.1 BDBM633117	Wt: 351.4 BDBM633118	Wt: 347.2 BDBM633120
Wt: 333.1 BDBM633048	Wt: 330.3 BDBM633142	Wt: 349.4 BDBM633143	Wt: 254.2 BDBM633064	Wt: 337.3 BDBM633072
Wt: 354.3 BDBM633075	Wt: 336.3 BDBM633084	Wt: 332.3 BDBM633087	Wt: 277.2 BDBM633088	Wt: 317.3 BDBM633106

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 15 hits in this display   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Myelin transcription factor 1 (Homo sapiens (Human))	BDBM633118 (US20230348456, Compound 139) Show SMILES Cc1ccc(O)c(C)c1-c1cc(c2CNC(=O)c2c1N)-c1nccs1 |(-.15,4.65,;1.18,3.88,;2.52,4.65,;3.85,3.88,;3.85,2.34,;5.19,1.57,;2.52,1.57,;2.52,.03,;1.18,2.34,;-.15,1.57,;-.15,.03,;-1.48,-.74,;-2.82,.03,;-4.28,-.45,;-5.19,.8,;-4.28,2.05,;-5.05,3.38,;-2.82,1.57,;-1.48,2.34,;-1.48,3.88,;-1.48,-2.28,;-.24,-3.19,;-.71,-4.65,;-2.25,-4.65,;-2.73,-3.19,)| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
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Myelin transcription factor 1 (Homo sapiens (Human))	BDBM633143 (US20230348456, Compound 164) Show SMILES Cc1ccc(O)cc1-c1cc(-c2nccs2)c2cc[nH]c(=O)c2c1N Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
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Myelin transcription factor 1 (Homo sapiens (Human))	BDBM633072 (US20230348456, Compound 93) Show SMILES Cc1ccc(O)cc1-c1cc(c2CNC(=O)c2c1N)-c1nccs1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
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Myelin transcription factor 1 (Homo sapiens (Human))	BDBM633106 (US20230348456, Compound 127) Show SMILES Nc1c(cc(C2CC2)c2nc[nH]c(=O)c12)-c1cccc2[nH]ncc12 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
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Myelin transcription factor 1 (Homo sapiens (Human))	BDBM633117 (US20230348456, Compound 138) Show SMILES Cc1ccc(O)cc1-c1cc(Br)c2nc[nH]c(=O)c2c1N Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
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Myelin transcription factor 1 (Homo sapiens (Human))	BDBM633116 (US20230348456, Compound 137) Show SMILES Cc1ccc(O)cc1-c1cc(-c2ccccn2)c2nc[nH]c(=O)c2c1N Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	51	n/a	n/a	n/a	n/a	n/a	n/a
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Myelin transcription factor 1 (Homo sapiens (Human))	BDBM633075 (US20230348456, Compound 96) Show SMILES Nc1c(ccc2nc([nH]c(=O)c12)-c1ccncc1)-c1cccc2[nH]ncc12 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	67	n/a	n/a	n/a	n/a	n/a	n/a
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Myelin transcription factor 1 (Homo sapiens (Human))	BDBM633087 (US20230348456, Compound 108) Show SMILES Cc1ccc(O)cc1-c1cc(c2CNC(=O)c2c1N)-c1ncccn1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	73	n/a	n/a	n/a	n/a	n/a	n/a
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Myelin transcription factor 1 (Homo sapiens (Human))	BDBM633120 (US20230348456, Compound 141) Show SMILES Cc1ccc(O)c(C)c1-c1cc(Br)c2CNC(=O)c2c1N |(-.15,3.47,;1.18,2.69,;2.52,3.47,;3.85,2.69,;3.85,1.15,;5.19,.38,;2.52,.38,;2.52,-1.15,;1.18,1.15,;-.15,.38,;-.15,-1.15,;-1.48,-1.93,;-1.48,-3.47,;-2.82,-1.15,;-4.28,-1.63,;-5.19,-.38,;-4.28,.86,;-5.05,2.19,;-2.82,.38,;-1.48,1.15,;-1.48,2.69,)| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	92	n/a	n/a	n/a	n/a	n/a	n/a
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Myelin transcription factor 1 (Homo sapiens (Human))	BDBM633088 (US20230348456, Compound 109) Show SMILES Nc1c(ccc2nc[nH]c(=O)c12)-c1cccc2[nH]ncc12 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	122	n/a	n/a	n/a	n/a	n/a	n/a
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Myelin transcription factor 1 (Homo sapiens (Human))	BDBM633115 (US20230348456, Compound 136) Show SMILES Cc1ccc(O)cc1-c1cc(c2CNC(=O)c2c1N)-c1ccccn1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	548	n/a	n/a	n/a	n/a	n/a	n/a
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Myelin transcription factor 1 (Homo sapiens (Human))	BDBM633084 (US20230348456, Compound 105) Show SMILES Cc1ccc(O)cc1-c1cc(c2CNC(=O)c2c1N)C1=CCOCC1 |t:22| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	641	n/a	n/a	n/a	n/a	n/a	n/a
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Myelin transcription factor 1 (Homo sapiens (Human))	BDBM633048 (US20230348456, Compound 69) Show SMILES Cc1ccc(O)cc1-c1cc(Br)c2CNC(=O)c2c1N Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	864	n/a	n/a	n/a	n/a	n/a	n/a
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Myelin transcription factor 1 (Homo sapiens (Human))	BDBM633142 (US20230348456, Compound 163) Show SMILES Cc1ccc(O)cc1-c1cc(c2CNC(=O)c2c1N)-c1ccccc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	1.07E+3	n/a	n/a	n/a	n/a	n/a	n/a
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Myelin transcription factor 1 (Homo sapiens (Human))	BDBM633064 (US20230348456, Compound 85) Show SMILES Cc1ccc(O)cc1-c1ccc2CNC(=O)c2c1N Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	1.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
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