BDBM50045813 CHEMBL328852::{2-(1H-Indol-3-yl)-1-methyl-1-[2-(4-nitro-phenyl)-ethylcarbamoyl]-ethyl}-carbamic acid adamantan-2-yl ester

SMILES: CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)NCCc1ccc(cc1)[N+]([O-])=O

InChI Key: InChIKey=GMAIGIQFMVFLBZ-YKGOIENJSA-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 = 50045813   

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))	BDBM50045813 (CHEMBL328852 | {2-(1H-Indol-3-yl)-1-methyl-1-[2-(4...) Show SMILES CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)NCCc1ccc(cc1)[N+]([O-])=O |wU:17.29,wD:21.28,19.20,23.26,TLB:25:21:24:16.17.18,15:16:22:19.24.20,THB:18:17:22:19.24.20,18:19:16.17.25:22,(14.54,-5.88,;13.21,-6.66,;11.91,-7.44,;11.91,-8.98,;12.82,-10.22,;11.91,-11.48,;10.44,-11.01,;9.11,-11.78,;7.78,-11.01,;7.78,-9.47,;9.11,-8.69,;10.44,-9.46,;11.72,-6.25,;10.39,-5.48,;9.29,-6.56,;9.99,-3.99,;8.5,-3.59,;6.75,-3.6,;5.7,-4.64,;4.42,-3.99,;3.86,-2.59,;4.98,-1.54,;6.61,-1.38,;7.17,-2.8,;6.03,-3.9,;6.19,-2.31,;14.57,-7.42,;14.54,-8.96,;16.11,-7.42,;16.85,-6.09,;18.39,-6.09,;19.16,-4.74,;20.7,-4.76,;21.47,-3.43,;20.7,-2.08,;19.16,-2.1,;18.39,-3.43,;21.47,-.75,;22.71,-1.5,;21.47,.7,)| Show InChI InChI=1S/C31H36N4O5/c1-31(17-24-18-33-27-5-3-2-4-26(24)27,29(36)32-11-10-19-6-8-25(9-7-19)35(38)39)34-30(37)40-28-22-13-20-12-21(15-22)16-23(28)14-20/h2-9,18,20-23,28,33H,10-17H2,1H3,(H,32,36)(H,34,37)/t20-,21+,22-,23+,28?,31?	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	79	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Tested for inhibition of [3H]-pCCK-8 specific binding to cholecystokinin type B receptor in guinea pig brain cortex				J Med Chem 36: 2868-77 (1993) BindingDB Entry DOI: 10.7270/Q2MG7NK5
					More data for this Ligand-Target Pair
Cholecystokinin A receptor (Cavia porcellus)	BDBM50045813 (CHEMBL328852 | {2-(1H-Indol-3-yl)-1-methyl-1-[2-(4...) Show SMILES CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)NCCc1ccc(cc1)[N+]([O-])=O |wU:17.29,wD:21.28,19.20,23.26,TLB:25:21:24:16.17.18,15:16:22:19.24.20,THB:18:17:22:19.24.20,18:19:16.17.25:22,(14.54,-5.88,;13.21,-6.66,;11.91,-7.44,;11.91,-8.98,;12.82,-10.22,;11.91,-11.48,;10.44,-11.01,;9.11,-11.78,;7.78,-11.01,;7.78,-9.47,;9.11,-8.69,;10.44,-9.46,;11.72,-6.25,;10.39,-5.48,;9.29,-6.56,;9.99,-3.99,;8.5,-3.59,;6.75,-3.6,;5.7,-4.64,;4.42,-3.99,;3.86,-2.59,;4.98,-1.54,;6.61,-1.38,;7.17,-2.8,;6.03,-3.9,;6.19,-2.31,;14.57,-7.42,;14.54,-8.96,;16.11,-7.42,;16.85,-6.09,;18.39,-6.09,;19.16,-4.74,;20.7,-4.76,;21.47,-3.43,;20.7,-2.08,;19.16,-2.1,;18.39,-3.43,;21.47,-.75,;22.71,-1.5,;21.47,.7,)| Show InChI InChI=1S/C31H36N4O5/c1-31(17-24-18-33-27-5-3-2-4-26(24)27,29(36)32-11-10-19-6-8-25(9-7-19)35(38)39)34-30(37)40-28-22-13-20-12-21(15-22)16-23(28)14-20/h2-9,18,20-23,28,33H,10-17H2,1H3,(H,32,36)(H,34,37)/t20-,21+,22-,23+,28?,31?	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.35E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Tested for inhibition of [3H]-pCCK-8 specific binding to cholecystokinin type A receptor in guinea pig pancreatic membranes				J Med Chem 36: 2868-77 (1993) BindingDB Entry DOI: 10.7270/Q2MG7NK5
					More data for this Ligand-Target Pair