BDBM50019202 7-Chloro-3-(1H-indol-3-ylmethyl)-5-phenyl-1,3-dihydro-benzo[e][1,4]diazepin-2-one::CCK antagonist synthetic 5::CHEMBL70728

SMILES: Clc1ccc2NC(=O)[C@@H](Cc3c[nH]c4ccccc34)N=C(c3ccccc3)c2c1

InChI Key: InChIKey=OAAIQFQHSUFGKD-JOCHJYFZSA-N

Data: 2 KI  6 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 8 hits for monomerid = 50019202   

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 (RAT)	BDBM50019202 (7-Chloro-3-(1H-indol-3-ylmethyl)-5-phenyl-1,3-dihy...) Show SMILES Clc1ccc2NC(=O)[C@@H](Cc3c[nH]c4ccccc34)N=C(c3ccccc3)c2c1 |t:21| Show InChI InChI=1S/C24H18ClN3O/c25-17-10-11-21-19(13-17)23(15-6-2-1-3-7-15)27-22(24(29)28-21)12-16-14-26-20-9-5-4-8-18(16)20/h1-11,13-14,22,26H,12H2,(H,28,29)/t22-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by PDSP Ki Database									Proc Natl Acad Sci U S A 83: 4918-22 (1986) Article DOI: 10.1073/pnas.83.13.4918 BindingDB Entry DOI: 10.7270/Q2445K05
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1 (Rattus norvegicus (Rat))	BDBM50019202 (7-Chloro-3-(1H-indol-3-ylmethyl)-5-phenyl-1,3-dihy...) Show SMILES Clc1ccc2NC(=O)[C@@H](Cc3c[nH]c4ccccc34)N=C(c3ccccc3)c2c1 |t:21| Show InChI InChI=1S/C24H18ClN3O/c25-17-10-11-21-19(13-17)23(15-6-2-1-3-7-15)27-22(24(29)28-21)12-16-14-26-20-9-5-4-8-18(16)20/h1-11,13-14,22,26H,12H2,(H,28,29)/t22-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by PDSP Ki Database									Proc Natl Acad Sci U S A 83: 4918-22 (1986) Article DOI: 10.1073/pnas.83.13.4918 BindingDB Entry DOI: 10.7270/Q2445K05
					More data for this Ligand-Target Pair
Cholecystokinin receptor (Mus musculus)	BDBM50019202 (7-Chloro-3-(1H-indol-3-ylmethyl)-5-phenyl-1,3-dihy...) Show SMILES Clc1ccc2NC(=O)[C@@H](Cc3c[nH]c4ccccc34)N=C(c3ccccc3)c2c1 |t:21| Show InChI InChI=1S/C24H18ClN3O/c25-17-10-11-21-19(13-17)23(15-6-2-1-3-7-15)27-22(24(29)28-21)12-16-14-26-20-9-5-4-8-18(16)20/h1-11,13-14,22,26H,12H2,(H,28,29)/t22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	3.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp& Dohme Research Laboratories Curated by ChEMBL					Assay Description Half-maximal inhibition of [125I]CCK-33 binding to cholecystokinin receptor				J Med Chem 31: 2235-46 (1989) BindingDB Entry DOI: 10.7270/Q2PG1S9K
					More data for this Ligand-Target Pair
Cholecystokinin receptor (Homo sapiens (Human))	BDBM50019202 (7-Chloro-3-(1H-indol-3-ylmethyl)-5-phenyl-1,3-dihy...) Show SMILES Clc1ccc2NC(=O)[C@@H](Cc3c[nH]c4ccccc34)N=C(c3ccccc3)c2c1 |t:21| Show InChI InChI=1S/C24H18ClN3O/c25-17-10-11-21-19(13-17)23(15-6-2-1-3-7-15)27-22(24(29)28-21)12-16-14-26-20-9-5-4-8-18(16)20/h1-11,13-14,22,26H,12H2,(H,28,29)/t22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp& Dohme Research Laboratories Curated by ChEMBL					Assay Description Half-maximal inhibition of [125I]gastrin binding to guinea pig gastric glands				J Med Chem 31: 2235-46 (1989) BindingDB Entry DOI: 10.7270/Q2PG1S9K
					More data for this Ligand-Target Pair
Cholecystokinin receptor (RAT)	BDBM50019202 (7-Chloro-3-(1H-indol-3-ylmethyl)-5-phenyl-1,3-dihy...) Show SMILES Clc1ccc2NC(=O)[C@@H](Cc3c[nH]c4ccccc34)N=C(c3ccccc3)c2c1 |t:21| Show InChI InChI=1S/C24H18ClN3O/c25-17-10-11-21-19(13-17)23(15-6-2-1-3-7-15)27-22(24(29)28-21)12-16-14-26-20-9-5-4-8-18(16)20/h1-11,13-14,22,26H,12H2,(H,28,29)/t22-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	3.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Half-maximal inhibition of [125I]-CCK-33 binding to rat pancreas cholecystokinin receptor				J Med Chem 30: 1229-39 (1987) BindingDB Entry DOI: 10.7270/Q2SF2WS2
					More data for this Ligand-Target Pair
Cholecystokinin receptor (Homo sapiens (Human))	BDBM50019202 (7-Chloro-3-(1H-indol-3-ylmethyl)-5-phenyl-1,3-dihy...) Show SMILES Clc1ccc2NC(=O)[C@@H](Cc3c[nH]c4ccccc34)N=C(c3ccccc3)c2c1 |t:21| Show InChI InChI=1S/C24H18ClN3O/c25-17-10-11-21-19(13-17)23(15-6-2-1-3-7-15)27-22(24(29)28-21)12-16-14-26-20-9-5-4-8-18(16)20/h1-11,13-14,22,26H,12H2,(H,28,29)/t22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp& Dohme Research Laboratories Curated by ChEMBL					Assay Description Half-maximal inhibition of [125I]CCK-33 binding to cholecystokinin receptor from guinea pig brain tissue				J Med Chem 31: 2235-46 (1989) BindingDB Entry DOI: 10.7270/Q2PG1S9K
					More data for this Ligand-Target Pair
Cholecystokinin receptor (Homo sapiens (Human))	BDBM50019202 (7-Chloro-3-(1H-indol-3-ylmethyl)-5-phenyl-1,3-dihy...) Show SMILES Clc1ccc2NC(=O)[C@@H](Cc3c[nH]c4ccccc34)N=C(c3ccccc3)c2c1 |t:21| Show InChI InChI=1S/C24H18ClN3O/c25-17-10-11-21-19(13-17)23(15-6-2-1-3-7-15)27-22(24(29)28-21)12-16-14-26-20-9-5-4-8-18(16)20/h1-11,13-14,22,26H,12H2,(H,28,29)/t22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Half-maximal inhibition of binding of [125I]gastrin to guinea pig gastric glands				J Med Chem 30: 1229-39 (1987) BindingDB Entry DOI: 10.7270/Q2SF2WS2
					More data for this Ligand-Target Pair
Cholecystokinin A receptor (Cavia porcellus)	BDBM50019202 (7-Chloro-3-(1H-indol-3-ylmethyl)-5-phenyl-1,3-dihy...) Show SMILES Clc1ccc2NC(=O)[C@@H](Cc3c[nH]c4ccccc34)N=C(c3ccccc3)c2c1 |t:21| Show InChI InChI=1S/C24H18ClN3O/c25-17-10-11-21-19(13-17)23(15-6-2-1-3-7-15)27-22(24(29)28-21)12-16-14-26-20-9-5-4-8-18(16)20/h1-11,13-14,22,26H,12H2,(H,28,29)/t22-/m1/s1	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Half-maximal inhibition of [125I]CCK-33 binding to guinea pig brain(cortex) cholecystokinin receptor				J Med Chem 30: 1229-39 (1987) BindingDB Entry DOI: 10.7270/Q2SF2WS2
					More data for this Ligand-Target Pair