BDBM50369326 CHEMBL1791002

SMILES: CC[C@H](C)[C@H](NC(=O)Cc1ccc(OS(O)(=O)=O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N(C)[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O

InChI Key: InChIKey=RDXYTQQTSOOHAV-NKOXIRJJSA-N

Data: 2 KI

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 2 hits for monomerid = 50369326   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Cholecystokinin receptor (RAT)	BDBM50369326 (CHEMBL1791002) Show SMILES CC[C@H](C)[C@H](NC(=O)Cc1ccc(OS(O)(=O)=O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N(C)[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C47H60N8O13S/c1-6-27(3)41(53-38(56)22-30-17-19-32(20-18-30)68-69(65,66)67)46(63)50-26-39(57)51-36(23-31-25-49-34-16-12-11-15-33(31)34)44(61)54-42(28(4)7-2)47(64)55(5)37(24-40(58)59)45(62)52-35(43(48)60)21-29-13-9-8-10-14-29/h8-20,25,27-28,35-37,41-42,49H,6-7,21-24,26H2,1-5H3,(H2,48,60)(H,50,63)(H,51,57)(H,52,62)(H,53,56)(H,54,61)(H,58,59)(H,65,66,67)/t27-,28-,35-,36-,37-,41-,42-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	0.240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rochester Curated by ChEMBL					Assay Description Binding affinity for Cholecystokinin type A receptor using [125I]BH-CCK-8 in rat pancreatic tissue				J Med Chem 40: 4302-7 (1998) Article DOI: 10.1021/jm970477u BindingDB Entry DOI: 10.7270/Q2B858TF
					More data for this Ligand-Target Pair
CCKBR (RAT)	BDBM50369326 (CHEMBL1791002) Show SMILES CC[C@H](C)[C@H](NC(=O)Cc1ccc(OS(O)(=O)=O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N(C)[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C47H60N8O13S/c1-6-27(3)41(53-38(56)22-30-17-19-32(20-18-30)68-69(65,66)67)46(63)50-26-39(57)51-36(23-31-25-49-34-16-12-11-15-33(31)34)44(61)54-42(28(4)7-2)47(64)55(5)37(24-40(58)59)45(62)52-35(43(48)60)21-29-13-9-8-10-14-29/h8-20,25,27-28,35-37,41-42,49H,6-7,21-24,26H2,1-5H3,(H2,48,60)(H,50,63)(H,51,57)(H,52,62)(H,53,56)(H,54,61)(H,58,59)(H,65,66,67)/t27-,28-,35-,36-,37-,41-,42-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rochester Curated by ChEMBL					Assay Description Binding affinity for Cholecystokinin type B receptor using [125I]-BH-CCK-8 in rat cortex synaptosomes				J Med Chem 40: 4302-7 (1998) Article DOI: 10.1021/jm970477u BindingDB Entry DOI: 10.7270/Q2B858TF
					More data for this Ligand-Target Pair