BDBM50092401 CHEMBL177799::N-(1-Carbamoyl-2-phenyl-ethyl)-3-{[2-(1H-indol-3-ylmethyl)-2-methyl-3,13-dioxo-1,4diaza-cyclotridecane-5-carbonyl]-amino}-succinamic acid

SMILES: C[C@@]1(Cc2c[nH]c3ccccc23)NC(=O)CCCCCCC[C@H](NC1=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O

InChI Key: InChIKey=BDKLOKRNGDIZTO-BGNUVLEZSA-N

Data: 3 KI  1 EC50

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 4 hits for monomerid = 50092401   

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 (Homo sapiens (Human))	BDBM50092401 (CHEMBL177799 | N-(1-Carbamoyl-2-phenyl-ethyl)-3-{[...) Show SMILES C[C@@]1(Cc2c[nH]c3ccccc23)NC(=O)CCCCCCC[C@H](NC1=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C35H44N6O7/c1-35(20-23-21-37-25-15-11-10-14-24(23)25)34(48)40-26(16-8-3-2-4-9-17-29(42)41-35)32(46)39-28(19-30(43)44)33(47)38-27(31(36)45)18-22-12-6-5-7-13-22/h5-7,10-15,21,26-28,37H,2-4,8-9,16-20H2,1H3,(H2,36,45)(H,38,47)(H,39,46)(H,40,48)(H,41,42)(H,43,44)/t26-,27-,28-,35-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Binding affinity against cholecystokinin type B receptor on guinea pig cortex.				J Med Chem 43: 3614-23 (2000) BindingDB Entry DOI: 10.7270/Q2RN373C
					More data for this Ligand-Target Pair
CCKBR (RAT)	BDBM50092401 (CHEMBL177799 | N-(1-Carbamoyl-2-phenyl-ethyl)-3-{[...) Show SMILES C[C@@]1(Cc2c[nH]c3ccccc23)NC(=O)CCCCCCC[C@H](NC1=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C35H44N6O7/c1-35(20-23-21-37-25-15-11-10-14-24(23)25)34(48)40-26(16-8-3-2-4-9-17-29(42)41-35)32(46)39-28(19-30(43)44)33(47)38-27(31(36)45)18-22-12-6-5-7-13-22/h5-7,10-15,21,26-28,37H,2-4,8-9,16-20H2,1H3,(H2,36,45)(H,38,47)(H,39,46)(H,40,48)(H,41,42)(H,43,44)/t26-,27-,28-,35-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Compound was tested for binding affinity against Cholecystokinin type B receptor expressed in CHO cells on the rat brain.				J Med Chem 43: 3614-23 (2000) BindingDB Entry DOI: 10.7270/Q2RN373C
					More data for this Ligand-Target Pair
Cholecystokinin A receptor (Cavia porcellus)	BDBM50092401 (CHEMBL177799 | N-(1-Carbamoyl-2-phenyl-ethyl)-3-{[...) Show SMILES C[C@@]1(Cc2c[nH]c3ccccc23)NC(=O)CCCCCCC[C@H](NC1=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C35H44N6O7/c1-35(20-23-21-37-25-15-11-10-14-24(23)25)34(48)40-26(16-8-3-2-4-9-17-29(42)41-35)32(46)39-28(19-30(43)44)33(47)38-27(31(36)45)18-22-12-6-5-7-13-22/h5-7,10-15,21,26-28,37H,2-4,8-9,16-20H2,1H3,(H2,36,45)(H,38,47)(H,39,46)(H,40,48)(H,41,42)(H,43,44)/t26-,27-,28-,35-/m0/s1	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.21E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Affinity against Cholecystokinin type A receptor on guinea pig pancreatic membranes.				J Med Chem 43: 3614-23 (2000) BindingDB Entry DOI: 10.7270/Q2RN373C
					More data for this Ligand-Target Pair
CCKBR (RAT)	BDBM50092401 (CHEMBL177799 | N-(1-Carbamoyl-2-phenyl-ethyl)-3-{[...) Show SMILES C[C@@]1(Cc2c[nH]c3ccccc23)NC(=O)CCCCCCC[C@H](NC1=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C35H44N6O7/c1-35(20-23-21-37-25-15-11-10-14-24(23)25)34(48)40-26(16-8-3-2-4-9-17-29(42)41-35)32(46)39-28(19-30(43)44)33(47)38-27(31(36)45)18-22-12-6-5-7-13-22/h5-7,10-15,21,26-28,37H,2-4,8-9,16-20H2,1H3,(H2,36,45)(H,38,47)(H,39,46)(H,40,48)(H,41,42)(H,43,44)/t26-,27-,28-,35-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	7	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Affinity against Cholecystokinin type B receptor expressed in CHO cells on rat brain.				J Med Chem 43: 3614-23 (2000) BindingDB Entry DOI: 10.7270/Q2RN373C
					More data for this Ligand-Target Pair