BDBM81769 CAS_79781-95-6::NSC_3052780::RILAPINE

SMILES: CN1CCN(CC1)C1=Cc2cc(Cl)ccc2C(=CC#N)c2ccccc12

InChI Key: InChIKey=UJCYUJOQBXHJFH-UHFFFAOYSA-N

Data: 14 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 14 hits for monomerid = 81769   

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
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM81769 (CAS_79781-95-6 | NSC_3052780 | RILAPINE) Show SMILES CN1CCN(CC1)C1=Cc2cc(Cl)ccc2C(=CC#N)c2ccccc12 |w:17.19,t:8| Show InChI InChI=1S/C22H20ClN3/c1-25-10-12-26(13-11-25)22-15-16-14-17(23)6-7-18(16)20(8-9-24)19-4-2-3-5-21(19)22/h2-8,14-15H,10-13H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	0.630	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Case Western Reserve University Curated by PDSP Ki Database									J Pharmacol Exp Ther 268: 1403-10 (1994) BindingDB Entry DOI: 10.7270/Q2154FJQ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM81769 (CAS_79781-95-6 | NSC_3052780 | RILAPINE) Show SMILES CN1CCN(CC1)C1=Cc2cc(Cl)ccc2C(=CC#N)c2ccccc12 |w:17.19,t:8| Show InChI InChI=1S/C22H20ClN3/c1-25-10-12-26(13-11-25)22-15-16-14-17(23)6-7-18(16)20(8-9-24)19-4-2-3-5-21(19)22/h2-8,14-15H,10-13H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	0.790	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Stanford University Curated by PDSP Ki Database									J Pharmacol Exp Ther 260: 1361-5 (1992) BindingDB Entry DOI: 10.7270/Q2513WPC
					More data for this Ligand-Target Pair
Serotonin (5-HT) receptor (Rattus norvegicus (rat))	BDBM81769 (CAS_79781-95-6 | NSC_3052780 | RILAPINE) Show SMILES CN1CCN(CC1)C1=Cc2cc(Cl)ccc2C(=CC#N)c2ccccc12 |w:17.19,t:8| Show InChI InChI=1S/C22H20ClN3/c1-25-10-12-26(13-11-25)22-15-16-14-17(23)6-7-18(16)20(8-9-24)19-4-2-3-5-21(19)22/h2-8,14-15H,10-13H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	2.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Case Western Reserve University Curated by PDSP Ki Database									J Pharmacol Exp Ther 268: 1403-10 (1994) BindingDB Entry DOI: 10.7270/Q2154FJQ
					More data for this Ligand-Target Pair
HTR6 (RAT)	BDBM81769 (CAS_79781-95-6 | NSC_3052780 | RILAPINE) Show SMILES CN1CCN(CC1)C1=Cc2cc(Cl)ccc2C(=CC#N)c2ccccc12 |w:17.19,t:8| Show InChI InChI=1S/C22H20ClN3/c1-25-10-12-26(13-11-25)22-15-16-14-17(23)6-7-18(16)20(8-9-24)19-4-2-3-5-21(19)22/h2-8,14-15H,10-13H2,1H3	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	6.95	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Case Western Reserve University Curated by PDSP Ki Database									J Pharmacol Exp Ther 268: 1403-10 (1994) BindingDB Entry DOI: 10.7270/Q2154FJQ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM81769 (CAS_79781-95-6 | NSC_3052780 | RILAPINE) Show SMILES CN1CCN(CC1)C1=Cc2cc(Cl)ccc2C(=CC#N)c2ccccc12 |w:17.19,t:8| Show InChI InChI=1S/C22H20ClN3/c1-25-10-12-26(13-11-25)22-15-16-14-17(23)6-7-18(16)20(8-9-24)19-4-2-3-5-21(19)22/h2-8,14-15H,10-13H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by PDSP Ki Database									J Neurochem 66: 47-56 (1996) Article DOI: 10.1046/j.1471-4159.1996.66010047.x BindingDB Entry DOI: 10.7270/Q20K2721
					More data for this Ligand-Target Pair
Serotonin receptor 2a and 2c (5HT2A and 5HT2C) (Rattus norvegicus (Rat))	BDBM81769 (CAS_79781-95-6 | NSC_3052780 | RILAPINE) Show SMILES CN1CCN(CC1)C1=Cc2cc(Cl)ccc2C(=CC#N)c2ccccc12 |w:17.19,t:8| Show InChI InChI=1S/C22H20ClN3/c1-25-10-12-26(13-11-25)22-15-16-14-17(23)6-7-18(16)20(8-9-24)19-4-2-3-5-21(19)22/h2-8,14-15H,10-13H2,1H3	KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	22.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by PDSP Ki Database									Neuropharmacology 33: 275-317 (1994) Article DOI: 10.1016/0028-3908(94)90059-0 BindingDB Entry DOI: 10.7270/Q2M043X2
					More data for this Ligand-Target Pair
Serotonin receptor 2a and 2c (5HT2A and 5HT2C) (Rattus norvegicus (Rat))	BDBM81769 (CAS_79781-95-6 | NSC_3052780 | RILAPINE) Show SMILES CN1CCN(CC1)C1=Cc2cc(Cl)ccc2C(=CC#N)c2ccccc12 |w:17.19,t:8| Show InChI InChI=1S/C22H20ClN3/c1-25-10-12-26(13-11-25)22-15-16-14-17(23)6-7-18(16)20(8-9-24)19-4-2-3-5-21(19)22/h2-8,14-15H,10-13H2,1H3	KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Stanford University Curated by PDSP Ki Database									J Pharmacol Exp Ther 260: 1361-5 (1992) BindingDB Entry DOI: 10.7270/Q2513WPC
					More data for this Ligand-Target Pair
Serotonin receptor 2a and 2c (5HT2A and 5HT2C) (Rattus norvegicus (Rat))	BDBM81769 (CAS_79781-95-6 | NSC_3052780 | RILAPINE) Show SMILES CN1CCN(CC1)C1=Cc2cc(Cl)ccc2C(=CC#N)c2ccccc12 |w:17.19,t:8| Show InChI InChI=1S/C22H20ClN3/c1-25-10-12-26(13-11-25)22-15-16-14-17(23)6-7-18(16)20(8-9-24)19-4-2-3-5-21(19)22/h2-8,14-15H,10-13H2,1H3	KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	25.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Case Western Reserve University Curated by PDSP Ki Database									J Pharmacol Exp Ther 268: 1403-10 (1994) BindingDB Entry DOI: 10.7270/Q2154FJQ
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM81769 (CAS_79781-95-6 | NSC_3052780 | RILAPINE) Show SMILES CN1CCN(CC1)C1=Cc2cc(Cl)ccc2C(=CC#N)c2ccccc12 |w:17.19,t:8| Show InChI InChI=1S/C22H20ClN3/c1-25-10-12-26(13-11-25)22-15-16-14-17(23)6-7-18(16)20(8-9-24)19-4-2-3-5-21(19)22/h2-8,14-15H,10-13H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	39.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Case Western Reserve University Curated by PDSP Ki Database									J Pharmacol Exp Ther 268: 1403-10 (1994) BindingDB Entry DOI: 10.7270/Q2154FJQ
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM81769 (CAS_79781-95-6 | NSC_3052780 | RILAPINE) Show SMILES CN1CCN(CC1)C1=Cc2cc(Cl)ccc2C(=CC#N)c2ccccc12 |w:17.19,t:8| Show InChI InChI=1S/C22H20ClN3/c1-25-10-12-26(13-11-25)22-15-16-14-17(23)6-7-18(16)20(8-9-24)19-4-2-3-5-21(19)22/h2-8,14-15H,10-13H2,1H3	UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Mayo Clinic Jacksonville Curated by PDSP Ki Database									J Pharmacol Exp Ther 260: 576-80 (1992) BindingDB Entry DOI: 10.7270/Q28P5Z0G
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM81769 (CAS_79781-95-6 | NSC_3052780 | RILAPINE) Show SMILES CN1CCN(CC1)C1=Cc2cc(Cl)ccc2C(=CC#N)c2ccccc12 |w:17.19,t:8| Show InChI InChI=1S/C22H20ClN3/c1-25-10-12-26(13-11-25)22-15-16-14-17(23)6-7-18(16)20(8-9-24)19-4-2-3-5-21(19)22/h2-8,14-15H,10-13H2,1H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	470	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Mayo Clinic Jacksonville Curated by PDSP Ki Database									J Pharmacol Exp Ther 260: 576-80 (1992) BindingDB Entry DOI: 10.7270/Q28P5Z0G
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M4 (Homo sapiens (Human))	BDBM81769 (CAS_79781-95-6 | NSC_3052780 | RILAPINE) Show SMILES CN1CCN(CC1)C1=Cc2cc(Cl)ccc2C(=CC#N)c2ccccc12 |w:17.19,t:8| Show InChI InChI=1S/C22H20ClN3/c1-25-10-12-26(13-11-25)22-15-16-14-17(23)6-7-18(16)20(8-9-24)19-4-2-3-5-21(19)22/h2-8,14-15H,10-13H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Mayo Clinic Jacksonville Curated by PDSP Ki Database									J Pharmacol Exp Ther 260: 576-80 (1992) BindingDB Entry DOI: 10.7270/Q28P5Z0G
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M5 (Homo sapiens (Human))	BDBM81769 (CAS_79781-95-6 | NSC_3052780 | RILAPINE) Show SMILES CN1CCN(CC1)C1=Cc2cc(Cl)ccc2C(=CC#N)c2ccccc12 |w:17.19,t:8| Show InChI InChI=1S/C22H20ClN3/c1-25-10-12-26(13-11-25)22-15-16-14-17(23)6-7-18(16)20(8-9-24)19-4-2-3-5-21(19)22/h2-8,14-15H,10-13H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Mayo Clinic Jacksonville Curated by PDSP Ki Database									J Pharmacol Exp Ther 260: 576-80 (1992) BindingDB Entry DOI: 10.7270/Q28P5Z0G
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM81769 (CAS_79781-95-6 | NSC_3052780 | RILAPINE) Show SMILES CN1CCN(CC1)C1=Cc2cc(Cl)ccc2C(=CC#N)c2ccccc12 |w:17.19,t:8| Show InChI InChI=1S/C22H20ClN3/c1-25-10-12-26(13-11-25)22-15-16-14-17(23)6-7-18(16)20(8-9-24)19-4-2-3-5-21(19)22/h2-8,14-15H,10-13H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Mayo Clinic Jacksonville Curated by PDSP Ki Database									J Pharmacol Exp Ther 260: 576-80 (1992) BindingDB Entry DOI: 10.7270/Q28P5Z0G
					More data for this Ligand-Target Pair