BDBM82304 CAS_122077::NSC_122077::SR 27897

SMILES: OC(=O)Cn1c(cc2ccccc12)C(=O)Nc1nc(cs1)-c1ccccc1Cl

InChI Key: InChIKey=ILNRQFBVVQUOLP-UHFFFAOYSA-N

Data: 3 KI  1 IC50

PDB links: 1 PDB ID matches this monomer.

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 = 82304   

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
CCKBR (RAT)	BDBM82304 (CAS_122077 | NSC_122077 | SR 27897) Show SMILES OC(=O)Cn1c(cc2ccccc12)C(=O)Nc1nc(cs1)-c1ccccc1Cl Show InChI InChI=1S/C20H14ClN3O3S/c21-14-7-3-2-6-13(14)15-11-28-20(22-15)23-19(27)17-9-12-5-1-4-8-16(12)24(17)10-18(25)26/h1-9,11H,10H2,(H,25,26)(H,22,23,27)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents	Article PubMed	0.580	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi Recherche Curated by PDSP Ki Database									Eur J Pharmacol 232: 13-9 (1993) Article DOI: 10.1016/0014-2999(93)90722-t BindingDB Entry DOI: 10.7270/Q2P26WN2
					More data for this Ligand-Target Pair
Cholecystokinin B (GUINEA PIG)	BDBM82304 (CAS_122077 | NSC_122077 | SR 27897) Show SMILES OC(=O)Cn1c(cc2ccccc12)C(=O)Nc1nc(cs1)-c1ccccc1Cl Show InChI InChI=1S/C20H14ClN3O3S/c21-14-7-3-2-6-13(14)15-11-28-20(22-15)23-19(27)17-9-12-5-1-4-8-16(12)24(17)10-18(25)26/h1-9,11H,10H2,(H,25,26)(H,22,23,27)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents	Article PubMed	489	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi Recherche Curated by PDSP Ki Database									Eur J Pharmacol 232: 13-9 (1993) Article DOI: 10.1016/0014-2999(93)90722-t BindingDB Entry DOI: 10.7270/Q2P26WN2
					More data for this Ligand-Target Pair
Cholecystokinin B (GUINEA PIG)	BDBM82304 (CAS_122077 | NSC_122077 | SR 27897) Show SMILES OC(=O)Cn1c(cc2ccccc12)C(=O)Nc1nc(cs1)-c1ccccc1Cl Show InChI InChI=1S/C20H14ClN3O3S/c21-14-7-3-2-6-13(14)15-11-28-20(22-15)23-19(27)17-9-12-5-1-4-8-16(12)24(17)10-18(25)26/h1-9,11H,10H2,(H,25,26)(H,22,23,27)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents	Article PubMed	2.88E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi Recherche Curated by PDSP Ki Database									Eur J Pharmacol 232: 13-9 (1993) Article DOI: 10.1016/0014-2999(93)90722-t BindingDB Entry DOI: 10.7270/Q2P26WN2
					More data for this Ligand-Target Pair
Cholecystokinin receptor (Homo sapiens (Human))	BDBM82304 (CAS_122077 | NSC_122077 | SR 27897) Show SMILES OC(=O)Cn1c(cc2ccccc12)C(=O)Nc1nc(cs1)-c1ccccc1Cl Show InChI InChI=1S/C20H14ClN3O3S/c21-14-7-3-2-6-13(14)15-11-28-20(22-15)23-19(27)17-9-12-5-1-4-8-16(12)24(17)10-18(25)26/h1-9,11H,10H2,(H,25,26)(H,22,23,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	0.560	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research and Development L.L.C. Curated by ChEMBL					Assay Description Binding affinity to human CCK1 receptor				Bioorg Med Chem Lett 17: 6493-8 (2007) Article DOI: 10.1016/j.bmcl.2007.09.093 BindingDB Entry DOI: 10.7270/Q290253K
					More data for this Ligand-Target Pair