BDBM82514 1-[[(3R)-2,3-Dihydro-1-methyl-2-oxo-5-[(hexahydro-1H-azepin)-1-yl]-1H-1,4-benzodiazepin]-3-yl]-3-(3-methylphenyl)urea::CHEMBL543712::L-737,415::L-738416

SMILES: CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2cccc(C)c2)C1=O)N1CCCCCC1

InChI Key: InChIKey=ZMUBIYUMHFIWON-NRFANRHFSA-N

Data: 2 KI  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 4 hits for monomerid = 82514   

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 (GUINEA PIG)	BDBM82514 (1-[[(3R)-2,3-Dihydro-1-methyl-2-oxo-5-[(hexahydro-...) Show SMILES CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2cccc(C)c2)C1=O)N1CCCCCC1 |c:9| Show InChI InChI=1S/C24H29N5O2/c1-17-10-9-11-18(16-17)25-24(31)27-21-23(30)28(2)20-13-6-5-12-19(20)22(26-21)29-14-7-3-4-8-15-29/h5-6,9-13,16,21H,3-4,7-8,14-15H2,1-2H3,(H2,25,27,31)/t21-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by PDSP Ki Database									Mol Pharmacol 46: 943-8 (1994) BindingDB Entry DOI: 10.7270/Q2QR4VMN
					More data for this Ligand-Target Pair
CCKBR (RAT)	BDBM82514 (1-[[(3R)-2,3-Dihydro-1-methyl-2-oxo-5-[(hexahydro-...) Show SMILES CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2cccc(C)c2)C1=O)N1CCCCCC1 |c:9| Show InChI InChI=1S/C24H29N5O2/c1-17-10-9-11-18(16-17)25-24(31)27-21-23(30)28(2)20-13-6-5-12-19(20)22(26-21)29-14-7-3-4-8-15-29/h5-6,9-13,16,21H,3-4,7-8,14-15H2,1-2H3,(H2,25,27,31)/t21-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by PDSP Ki Database									Mol Pharmacol 46: 943-8 (1994) BindingDB Entry DOI: 10.7270/Q2QR4VMN
					More data for this Ligand-Target Pair
Cholecystokinin receptor (RAT)	BDBM82514 (1-[[(3R)-2,3-Dihydro-1-methyl-2-oxo-5-[(hexahydro-...) Show SMILES CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2cccc(C)c2)C1=O)N1CCCCCC1 |c:9| Show InChI InChI=1S/C24H29N5O2/c1-17-10-9-11-18(16-17)25-24(31)27-21-23(30)28(2)20-13-6-5-12-19(20)22(26-21)29-14-7-3-4-8-15-29/h5-6,9-13,16,21H,3-4,7-8,14-15H2,1-2H3,(H2,25,27,31)/t21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck, Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Binding activity against Cholecystokinin type A receptor from rat pancreas using [125]BH CCK-8s as radioligand.				J Med Chem 37: 719-21 (1994) BindingDB Entry DOI: 10.7270/Q2QN67FP
					More data for this Ligand-Target Pair
Cholecystokinin receptor (Homo sapiens (Human))	BDBM82514 (1-[[(3R)-2,3-Dihydro-1-methyl-2-oxo-5-[(hexahydro-...) Show SMILES CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2cccc(C)c2)C1=O)N1CCCCCC1 |c:9| Show InChI InChI=1S/C24H29N5O2/c1-17-10-9-11-18(16-17)25-24(31)27-21-23(30)28(2)20-13-6-5-12-19(20)22(26-21)29-14-7-3-4-8-15-29/h5-6,9-13,16,21H,3-4,7-8,14-15H2,1-2H3,(H2,25,27,31)/t21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Merck, Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Binding activity against Cholecystokinin type B receptor from guinea pig cortex using [125]BH CCK-8s as radioligand.				J Med Chem 37: 719-21 (1994) BindingDB Entry DOI: 10.7270/Q2QN67FP
					More data for this Ligand-Target Pair