BDBM50045809 CHEMBL316462::[1-[2-(3,4-Dichloro-phenyl)-ethylcarbamoyl]-2-(1H-indol-3-yl)-1-methyl-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(Cl)c(Cl)c1

InChI Key: InChIKey=CFAMCNLQPGYLTL-YNQNXRLRSA-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 = 50045809   

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))	BDBM50045809 (CHEMBL316462 | [1-[2-(3,4-Dichloro-phenyl)-ethylca...) 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(Cl)c(Cl)c1 |wU:21.23,19.27,17.19,wD:23.24,TLB:15:16:18:21.25.20,THB:22:23:18:21.25.20,22:21:18:16.23.24,(13.49,-10.17,;12.16,-10.95,;10.83,-11.72,;10.83,-13.28,;11.74,-14.51,;10.85,-15.77,;9.38,-15.31,;8.03,-16.08,;6.7,-15.31,;6.7,-13.75,;8.03,-12.98,;9.36,-13.75,;10.66,-10.55,;9.32,-9.78,;8.22,-10.86,;8.92,-8.29,;7.44,-7.89,;5.69,-7.89,;4.63,-8.94,;3.34,-8.29,;2.8,-6.88,;3.9,-5.83,;5.54,-5.68,;6.11,-7.09,;4.95,-8.2,;5.13,-6.6,;13.49,-11.72,;13.49,-13.25,;15.03,-11.71,;15.8,-10.38,;17.34,-10.38,;18.11,-9.04,;17.32,-7.71,;18.09,-6.39,;19.63,-6.38,;20.4,-5.05,;20.42,-7.71,;21.96,-7.71,;19.63,-9.05,)| Show InChI InChI=1S/C31H35Cl2N3O3/c1-31(16-23-17-35-27-5-3-2-4-24(23)27,29(37)34-9-8-18-6-7-25(32)26(33)15-18)36-30(38)39-28-21-11-19-10-20(13-21)14-22(28)12-19/h2-7,15,17,19-22,28,35H,8-14,16H2,1H3,(H,34,37)(H,36,38)/t19-,20+,21-,22+,28?,31?	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	184	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)	BDBM50045809 (CHEMBL316462 | [1-[2-(3,4-Dichloro-phenyl)-ethylca...) 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(Cl)c(Cl)c1 |wU:21.23,19.27,17.19,wD:23.24,TLB:15:16:18:21.25.20,THB:22:23:18:21.25.20,22:21:18:16.23.24,(13.49,-10.17,;12.16,-10.95,;10.83,-11.72,;10.83,-13.28,;11.74,-14.51,;10.85,-15.77,;9.38,-15.31,;8.03,-16.08,;6.7,-15.31,;6.7,-13.75,;8.03,-12.98,;9.36,-13.75,;10.66,-10.55,;9.32,-9.78,;8.22,-10.86,;8.92,-8.29,;7.44,-7.89,;5.69,-7.89,;4.63,-8.94,;3.34,-8.29,;2.8,-6.88,;3.9,-5.83,;5.54,-5.68,;6.11,-7.09,;4.95,-8.2,;5.13,-6.6,;13.49,-11.72,;13.49,-13.25,;15.03,-11.71,;15.8,-10.38,;17.34,-10.38,;18.11,-9.04,;17.32,-7.71,;18.09,-6.39,;19.63,-6.38,;20.4,-5.05,;20.42,-7.71,;21.96,-7.71,;19.63,-9.05,)| Show InChI InChI=1S/C31H35Cl2N3O3/c1-31(16-23-17-35-27-5-3-2-4-24(23)27,29(37)34-9-8-18-6-7-25(32)26(33)15-18)36-30(38)39-28-21-11-19-10-20(13-21)14-22(28)12-19/h2-7,15,17,19-22,28,35H,8-14,16H2,1H3,(H,34,37)(H,36,38)/t19-,20+,21-,22+,28?,31?	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.54E+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