BDBM197310 SAMPL5, CBClip

SMILES: C[C@@]12N3Cc4cc5c(OCCCS([O-])(=O)=O)ccc(OCCCS([O-])(=O)=O)c5cc4CN1C(=O)N1CN4C(=O)N5Cc6cc7c(OCCCS([O-])(=O)=O)ccc(OCCCS([O-])(=O)=O)c7cc6CN6C(=O)N(CN(C3=O)[C@]21C)[C@@]4(C)[C@]56C

InChI Key: InChIKey=RSPRYJNTSGJJAB-MRYQMSSLSA-J

Data: 10 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 10 hits for monomerid = 197310

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
BDBM197310	BDBM197288	KEGG PC cid PC sid	PC cid PC sid		-5.83	n/a	n/a	4.28	7.40	24.9
University of California San Diego					J Comput Aided Mol Des (2016)
BDBM197310	BDBM197315	KEGG PC cid PC sid	KEGG PC cid PC sid PDB		-2.51	n/a	n/a	1.85	7.40	24.9
University of California San Diego					J Comput Aided Mol Des (2016)
BDBM197310	BDBM197316	KEGG PC cid PC sid	KEGG PC cid PC sid PDB		-4.01	n/a	n/a	2.94	7.40	24.9
University of California San Diego					J Comput Aided Mol Des (2016)
BDBM197310	BDBM197317	KEGG PC cid PC sid	KEGG PC cid PC sid		-7.24	n/a	n/a	5.30	7.40	24.9
University of California San Diego					J Comput Aided Mol Des (2016)
BDBM197310	BDBM197318	KEGG PC cid PC sid	KEGG PC cid PC sid PDB		-8.53	n/a	n/a	6.26	7.40	24.9
University of California San Diego					J Comput Aided Mol Des (2016)
BDBM197310	BDBM197319	KEGG PC cid PC sid	PC cid PC sid		-8.65	n/a	n/a	6.34	7.40	24.9
University of California San Diego					J Comput Aided Mol Des (2016)
BDBM197310	BDBM197320	KEGG PC cid PC sid	PC cid PC sid		-5.16	n/a	n/a	3.79	7.40	24.9
University of California San Diego					J Comput Aided Mol Des (2016)
BDBM197310	BDBM197321	KEGG PC cid PC sid	PC cid PC sid		-6.16	n/a	n/a	4.52	7.40	24.9
University of California San Diego					J Comput Aided Mol Des (2016)
BDBM197310	BDBM197322	KEGG PC cid PC sid	PC cid PC sid		-7.38	n/a	n/a	5.41	7.40	24.9
University of California San Diego					J Comput Aided Mol Des (2016)
BDBM197310	BDBM50241461	KEGG PC cid PC sid	PC cid PC sid		-10.3	n/a	n/a	7.59	7.40	24.9
University of California San Diego					J Comput Aided Mol Des (2016)