BDBM50406489 CHEMBL2079549

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

InChI Key: InChIKey=VCPYNLLVOHQCFM-UNHORJANSA-N

Data: 2 IC50

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 = 50406489   

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 B receptor (Bos taurus)	BDBM50406489 (CHEMBL2079549) Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccc(CC(O)=O)cc1)NC(C)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C49H61N9O12S2/c1-28(59)53-38(22-30-13-15-31(16-14-30)23-42(61)62)47(68)55-35(17-19-71-2)45(66)52-27-41(60)54-39(24-32-26-51-34-12-8-7-11-33(32)34)48(69)56-36(18-20-72-3)46(67)58-40(25-43(63)64)49(70)57-37(44(50)65)21-29-9-5-4-6-10-29/h4-16,26,35-40,51H,17-25,27H2,1-3H3,(H2,50,65)(H,52,66)(H,53,59)(H,54,60)(H,55,68)(H,56,69)(H,57,70)(H,58,67)(H,61,62)(H,63,64)/t35-,36-,37-,38-,39-,40-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	54	n/a	n/a	n/a	n/a	n/a	n/a
Roche Research Center Curated by ChEMBL					Assay Description Inhibition of [3H]-propanoyl binding to cholecystokinin type B receptor subtype was determined in bovine striatum membranes				J Med Chem 34: 1125-36 (1991) BindingDB Entry DOI: 10.7270/Q27P8XCT
					More data for this Ligand-Target Pair
Cholecystokinin receptor (RAT)	BDBM50406489 (CHEMBL2079549) Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccc(CC(O)=O)cc1)NC(C)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C49H61N9O12S2/c1-28(59)53-38(22-30-13-15-31(16-14-30)23-42(61)62)47(68)55-35(17-19-71-2)45(66)52-27-41(60)54-39(24-32-26-51-34-12-8-7-11-33(32)34)48(69)56-36(18-20-72-3)46(67)58-40(25-43(63)64)49(70)57-37(44(50)65)21-29-9-5-4-6-10-29/h4-16,26,35-40,51H,17-25,27H2,1-3H3,(H2,50,65)(H,52,66)(H,53,59)(H,54,60)(H,55,68)(H,56,69)(H,57,70)(H,58,67)(H,61,62)(H,63,64)/t35-,36-,37-,38-,39-,40-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
Roche Research Center Curated by ChEMBL					Assay Description Inhibition of [3H]-propanoyl binding to cholecystokinin type A receptor was determined in fresh rat pancreatic tissue membranes				J Med Chem 34: 1125-36 (1991) BindingDB Entry DOI: 10.7270/Q27P8XCT
					More data for this Ligand-Target Pair