BDBM197280 SAMPL3, H1

SMILES: C[C@@]12C3CC4[C@@H]5[C@@H]6N(CN7[C@@H]8[C@@H]9C(CC%10C(=O)N%11Cc%12c(OCC(O)=O)ccc(OCC(O)=O)c%12CN%12C(=O)N(CN9C(=O)N8CN6C(=O)N5CN1C(=O)N1Cc5c(OCC(O)=O)ccc(OCC(O)=O)c5CN(C3=O)[C@]21C)[C@@]%10(C)[C@]%11%12C)C7=O)C4=O

InChI Key: InChIKey=RJSVXZHLNDARCZ-IELVMNSISA-N

Data: 7 ITC

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- ITC Data from BindingDB

Found 7 hits for monomerid = 197280

Cell (A)	Syringe (B)	Cell Links	Syringe Links	Cell + Syr Links	ΔG° kcal/mole	-TΔS° kcal/mole	ΔH° kcal/mole	log K	pH	Temp °C
BDBM197280	BDBM50350790	PC cid PC sid	CHEBI DrugBank KEGG PC cid PC sid		-5.85	n/a	n/a	4.26	7.40	24.9
University of California San Diego					J Comput Aided Mol Des 26: 475-87 (2012)
BDBM197280	BDBM64452	PC cid PC sid	DrugBank KEGG PC cid PC sid		-7.09	n/a	n/a	5.18	7.40	24.9
University of California San Diego					J Comput Aided Mol Des 26: 475-87 (2012)
BDBM197280	BDBM197281	PC cid PC sid	PC cid PC sid		-6.81	n/a	n/a	4.95	7.40	24.9
University of California San Diego					J Comput Aided Mol Des 26: 475-87 (2012)
BDBM197280	BDBM197282	PC cid PC sid	DrugBank KEGG PC cid PC sid		-4.18	n/a	n/a	3.04	7.40	24.9
University of California San Diego					J Comput Aided Mol Des 26: 475-87 (2012)
BDBM197280	BDBM50017662	PC cid PC sid	CHEBI DrugBank KEGG MMDB PC cid PC sid PDB		-6.07	n/a	n/a	4.41	7.40	24.9
University of California San Diego					J Comput Aided Mol Des 26: 475-87 (2012)
BDBM197280	BDBM197283	PC cid PC sid	PC cid PC sid		-10.7	n/a	n/a	7.81	7.40	24.9
University of California San Diego					J Comput Aided Mol Des 26: 475-87 (2012)
BDBM197280	BDBM197284	PC cid PC sid	PC cid PC sid		-7.86	n/a	n/a	7.72	7.40	24.9
University of California San Diego					J Comput Aided Mol Des 26: 475-87 (2012)